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 80 SER OG : rot 155:sc= 1.08 USER MOD Set 1.2: A 82 LYS NZ :NH3+ 163:sc= 1.27 (180deg=0) USER MOD Set 2.1: A 74 CYS SG : rot -87:sc= 1.41 USER MOD Set 2.2: A 76 CYS SG : rot 180:sc= 0.217 USER MOD Set 2.3: A 81 CYS SG : rot -170:sc= 0.174 USER MOD Set 2.4: A 83 CYS SG : rot 170:sc= 0.428 USER MOD Set 2.5: A 87 CYS SG : rot 119:sc= 0.968 USER MOD Set 2.6: A 93 CYS SG : rot 180:sc= -0.0588 USER MOD Set 2.7: A 95 CYS SG : rot 180:sc= 0 USER MOD Set 2.8: A 101 CYS SG : rot 180:sc= -0.667 USER MOD Set 3.1: A 72 THR OG1 : rot -74:sc= -0.49 USER MOD Set 3.2: A 102 LYS NZ :NH3+ -143:sc= 2.3 (180deg=1.74) USER MOD Set 4.1: A 43 CYS SG : rot 180:sc= 0.0584 USER MOD Set 4.2: A 44 THR OG1 : rot 150:sc= 0.314 USER MOD Set 4.3: A 47 CYS SG : rot -19:sc= 0.0585 USER MOD Set 4.4: A 52 CYS SG : rot 180:sc= -3.8! USER MOD Set 4.5: A 54 CYS SG : rot -150:sc= -4.9! USER MOD Set 4.6: A 61 CYS SG : rot 180:sc= 0.197 USER MOD Set 4.7: A 67 CYS SG : rot 180:sc= 0.156 USER MOD Set 4.8: A 69 SER OG : rot 100:sc= 0.163 USER MOD Set 4.9: A 70 CYS SG : rot -170:sc= -0.0459 USER MOD Set 4.10: A 71 SER OG : rot 100:sc= 0.0785 USER MOD Set 5.1: A 34 CYS SG : rot 180:sc= 0.267 USER MOD Set 5.2: A 36 SER OG : rot 99:sc= 0.292 USER MOD Set 6.1: A 15 CYS SG : rot -40:sc= -0.0394 USER MOD Set 6.2: A 20 CYS SG : rot 180:sc= -2.29! USER MOD Set 6.3: A 28 CYS SG : rot 180:sc= 0.0267 USER MOD Set 6.4: A 32 CYS SG : rot 21:sc= 0.404 USER MOD Set 6.5: A 37 CYS SG : rot 180:sc= -0.104 USER MOD Set 7.1: A 12 THR OG1 : rot 180:sc= -0.246 USER MOD Set 7.2: A 14 THR OG1 : rot 180:sc= 0.00285 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.949 USER MOD Single : A 16 LYS NZ :NH3+ 136:sc= -0.896 (180deg=-2.98!) USER MOD Single : A 17 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.28) USER MOD Single : A 18 THR OG1 : rot 50:sc= 0.043 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -1.44 USER MOD Single : A 27 ASN : amide:sc= -0.0118 K(o=-0.012,f=-0.97) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0254 (180deg=-0.303) USER MOD Single : A 35 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.0092) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.312 K(o=-0.31,f=-0.9) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0798 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.743 USER MOD Single : A 60 ASN : amide:sc= -0.0531 X(o=-0.053,f=-0.51) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -0.11 (180deg=-0.417) USER MOD Single : A 68 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.6!) USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= -0.111 (180deg=-0.676) USER MOD Single : A 85 LYS NZ :NH3+ 170:sc= -0.0205 (180deg=-0.152) USER MOD Single : A 88 THR OG1 : rot 25:sc= 0.653 USER MOD Single : A 92 SER OG : rot -0:sc= 0.388 USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0.518 (180deg=0.41) USER MOD Single : A 98 SER OG : rot 69:sc= 1.15 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 -5.278 -10.811 -21.282 1.00 0.00 N ATOM 94 CA GLY A 8 -5.749 -10.083 -22.439 1.00 0.00 C ATOM 95 C GLY A 8 -5.392 -8.620 -22.359 1.00 0.00 C ATOM 96 O GLY A 8 -5.093 -7.985 -23.367 1.00 0.00 O ATOM 0 HA2 GLY A 8 -5.317 -10.515 -23.342 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.831 -10.190 -22.521 1.00 0.00 H new ATOM 100 N ALA A 9 -5.396 -8.089 -21.156 1.00 0.00 N ATOM 101 CA ALA A 9 -5.081 -6.691 -20.938 1.00 0.00 C ATOM 102 C ALA A 9 -3.586 -6.496 -20.792 1.00 0.00 C ATOM 103 O ALA A 9 -3.069 -6.297 -19.695 1.00 0.00 O ATOM 104 CB ALA A 9 -5.816 -6.150 -19.725 1.00 0.00 C ATOM 0 H ALA A 9 -5.616 -8.608 -20.306 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.415 -6.130 -21.811 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.562 -5.099 -19.584 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.891 -6.246 -19.878 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.524 -6.716 -18.840 1.00 0.00 H new ATOM 110 N GLY A 10 -2.895 -6.602 -21.897 1.00 0.00 N ATOM 111 CA GLY A 10 -1.469 -6.415 -21.897 1.00 0.00 C ATOM 112 C GLY A 10 -1.010 -5.714 -23.139 1.00 0.00 C ATOM 113 O GLY A 10 -0.224 -6.252 -23.910 1.00 0.00 O ATOM 0 H GLY A 10 -3.298 -6.817 -22.809 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.176 -5.836 -21.021 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.974 -7.383 -21.819 1.00 0.00 H new ATOM 117 N CYS A 11 -1.522 -4.523 -23.353 1.00 0.00 N ATOM 118 CA CYS A 11 -1.156 -3.746 -24.515 1.00 0.00 C ATOM 119 C CYS A 11 0.200 -3.081 -24.334 1.00 0.00 C ATOM 120 O CYS A 11 0.785 -3.110 -23.246 1.00 0.00 O ATOM 121 CB CYS A 11 -2.232 -2.712 -24.831 1.00 0.00 C ATOM 122 SG CYS A 11 -3.820 -3.440 -25.285 1.00 0.00 S ATOM 0 H CYS A 11 -2.195 -4.070 -22.735 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.077 -4.428 -25.361 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.372 -2.068 -23.963 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.886 -2.077 -25.647 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.676 -2.494 -25.535 1.00 0.00 H new ATOM 127 N THR A 12 0.685 -2.487 -25.395 1.00 0.00 N ATOM 128 CA THR A 12 1.975 -1.843 -25.392 1.00 0.00 C ATOM 129 C THR A 12 1.821 -0.346 -25.144 1.00 0.00 C ATOM 130 O THR A 12 0.717 0.198 -25.227 1.00 0.00 O ATOM 131 CB THR A 12 2.710 -2.090 -26.737 1.00 0.00 C ATOM 132 OG1 THR A 12 3.968 -1.412 -26.757 1.00 0.00 O ATOM 133 CG2 THR A 12 1.861 -1.626 -27.911 1.00 0.00 C ATOM 0 H THR A 12 0.195 -2.436 -26.288 1.00 0.00 H new ATOM 0 HA THR A 12 2.571 -2.272 -24.586 1.00 0.00 H new ATOM 0 HB THR A 12 2.883 -3.162 -26.829 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.417 -1.581 -27.612 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.397 -1.809 -28.842 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.920 -2.176 -27.919 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.657 -0.560 -27.814 1.00 0.00 H new ATOM 141 N ASP A 13 2.929 0.306 -24.848 1.00 0.00 N ATOM 142 CA ASP A 13 2.945 1.733 -24.587 1.00 0.00 C ATOM 143 C ASP A 13 2.506 2.502 -25.820 1.00 0.00 C ATOM 144 O ASP A 13 1.859 3.533 -25.716 1.00 0.00 O ATOM 145 CB ASP A 13 4.343 2.184 -24.142 1.00 0.00 C ATOM 146 CG ASP A 13 5.405 1.992 -25.214 1.00 0.00 C ATOM 147 OD1 ASP A 13 5.716 2.963 -25.936 1.00 0.00 O ATOM 148 OD2 ASP A 13 5.935 0.867 -25.336 1.00 0.00 O ATOM 0 H ASP A 13 3.844 -0.139 -24.782 1.00 0.00 H new ATOM 0 HA ASP A 13 2.243 1.944 -23.780 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.306 3.237 -23.861 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.631 1.626 -23.251 1.00 0.00 H new ATOM 153 N THR A 14 2.823 1.962 -26.989 1.00 0.00 N ATOM 154 CA THR A 14 2.468 2.580 -28.259 1.00 0.00 C ATOM 155 C THR A 14 0.946 2.652 -28.433 1.00 0.00 C ATOM 156 O THR A 14 0.428 3.418 -29.251 1.00 0.00 O ATOM 157 CB THR A 14 3.077 1.779 -29.421 1.00 0.00 C ATOM 158 OG1 THR A 14 4.454 1.498 -29.133 1.00 0.00 O ATOM 159 CG2 THR A 14 2.983 2.557 -30.721 1.00 0.00 C ATOM 0 H THR A 14 3.333 1.084 -27.083 1.00 0.00 H new ATOM 0 HA THR A 14 2.866 3.595 -28.262 1.00 0.00 H new ATOM 0 HB THR A 14 2.520 0.849 -29.532 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.845 0.986 -29.871 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.420 1.970 -31.529 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.937 2.763 -30.947 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.524 3.498 -30.622 1.00 0.00 H new ATOM 167 N CYS A 15 0.244 1.880 -27.635 1.00 0.00 N ATOM 168 CA CYS A 15 -1.194 1.818 -27.706 1.00 0.00 C ATOM 169 C CYS A 15 -1.831 2.861 -26.780 1.00 0.00 C ATOM 170 O CYS A 15 -3.051 2.962 -26.680 1.00 0.00 O ATOM 171 CB CYS A 15 -1.652 0.426 -27.320 1.00 0.00 C ATOM 172 SG CYS A 15 -3.337 0.058 -27.785 1.00 0.00 S ATOM 0 H CYS A 15 0.655 1.279 -26.920 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.509 2.037 -28.726 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.990 -0.305 -27.785 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.550 0.308 -26.241 1.00 0.00 H new ATOM 0 HG CYS A 15 -4.083 1.102 -27.576 1.00 0.00 H new ATOM 177 N LYS A 16 -0.994 3.629 -26.103 1.00 0.00 N ATOM 178 CA LYS A 16 -1.470 4.669 -25.191 1.00 0.00 C ATOM 179 C LYS A 16 -1.431 6.021 -25.875 1.00 0.00 C ATOM 180 O LYS A 16 -1.651 7.053 -25.246 1.00 0.00 O ATOM 181 CB LYS A 16 -0.588 4.722 -23.938 1.00 0.00 C ATOM 182 CG LYS A 16 -0.426 3.391 -23.225 1.00 0.00 C ATOM 183 CD LYS A 16 -1.743 2.865 -22.674 1.00 0.00 C ATOM 184 CE LYS A 16 -2.193 3.577 -21.395 1.00 0.00 C ATOM 185 NZ LYS A 16 -2.743 4.937 -21.647 1.00 0.00 N ATOM 0 H LYS A 16 0.022 3.556 -26.164 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.495 4.430 -24.906 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.398 5.092 -24.219 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.013 5.444 -23.241 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.007 2.660 -23.916 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.287 3.504 -22.409 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.517 2.975 -23.434 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.644 1.798 -22.472 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.950 2.972 -20.897 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.347 3.654 -20.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.609 5.071 -21.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.039 5.652 -21.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.966 5.040 -22.658 1.00 0.00 H new ATOM 199 N GLN A 17 -1.156 6.012 -27.162 1.00 0.00 N ATOM 200 CA GLN A 17 -0.979 7.245 -27.895 1.00 0.00 C ATOM 201 C GLN A 17 -2.296 7.758 -28.439 1.00 0.00 C ATOM 202 O GLN A 17 -3.252 6.997 -28.605 1.00 0.00 O ATOM 203 CB GLN A 17 0.020 7.063 -29.034 1.00 0.00 C ATOM 204 CG GLN A 17 1.318 6.373 -28.635 1.00 0.00 C ATOM 205 CD GLN A 17 1.886 6.867 -27.319 1.00 0.00 C ATOM 206 OE1 GLN A 17 2.559 7.892 -27.274 1.00 0.00 O ATOM 207 NE2 GLN A 17 1.684 6.122 -26.268 1.00 0.00 N ATOM 0 H GLN A 17 -1.050 5.165 -27.721 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.586 7.984 -27.197 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.454 6.485 -29.827 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.257 8.042 -29.451 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.143 5.299 -28.566 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.058 6.525 -29.421 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.119 5.276 -26.343 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.091 6.385 -25.371 1.00 0.00 H new ATOM 216 N THR A 18 -2.335 9.041 -28.727 1.00 0.00 N ATOM 217 CA THR A 18 -3.531 9.686 -29.246 1.00 0.00 C ATOM 218 C THR A 18 -3.172 10.762 -30.279 1.00 0.00 C ATOM 219 O THR A 18 -2.733 11.850 -29.916 1.00 0.00 O ATOM 220 CB THR A 18 -4.348 10.321 -28.102 1.00 0.00 C ATOM 221 OG1 THR A 18 -3.459 10.954 -27.165 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.193 9.276 -27.384 1.00 0.00 C ATOM 0 H THR A 18 -1.541 9.670 -28.609 1.00 0.00 H new ATOM 0 HA THR A 18 -4.134 8.919 -29.733 1.00 0.00 H new ATOM 0 HB THR A 18 -5.019 11.064 -28.533 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.837 11.538 -27.647 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.758 9.753 -26.583 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.884 8.818 -28.092 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.543 8.509 -26.963 1.00 0.00 H new ATOM 230 N PRO A 19 -3.340 10.468 -31.593 1.00 0.00 N ATOM 231 CA PRO A 19 -3.834 9.171 -32.077 1.00 0.00 C ATOM 232 C PRO A 19 -2.848 8.038 -31.813 1.00 0.00 C ATOM 233 O PRO A 19 -1.656 8.271 -31.600 1.00 0.00 O ATOM 234 CB PRO A 19 -4.010 9.387 -33.580 1.00 0.00 C ATOM 235 CG PRO A 19 -3.102 10.518 -33.914 1.00 0.00 C ATOM 236 CD PRO A 19 -3.066 11.398 -32.701 1.00 0.00 C ATOM 0 HA PRO A 19 -4.751 8.874 -31.569 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.747 8.490 -34.141 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.045 9.625 -33.826 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.104 10.156 -34.162 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.467 11.067 -34.782 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.097 11.884 -32.587 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.815 12.188 -32.756 1.00 0.00 H new ATOM 244 N CYS A 20 -3.351 6.824 -31.832 1.00 0.00 N ATOM 245 CA CYS A 20 -2.557 5.653 -31.518 1.00 0.00 C ATOM 246 C CYS A 20 -1.410 5.454 -32.515 1.00 0.00 C ATOM 247 O CYS A 20 -1.483 5.897 -33.667 1.00 0.00 O ATOM 248 CB CYS A 20 -3.443 4.432 -31.478 1.00 0.00 C ATOM 249 SG CYS A 20 -2.694 3.026 -30.677 1.00 0.00 S ATOM 0 H CYS A 20 -4.322 6.619 -32.065 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.106 5.806 -30.537 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.369 4.683 -30.960 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.713 4.157 -32.498 1.00 0.00 H new ATOM 0 HG CYS A 20 -3.526 2.027 -30.687 1.00 0.00 H new ATOM 254 N GLY A 21 -0.359 4.771 -32.075 1.00 0.00 N ATOM 255 CA GLY A 21 0.807 4.600 -32.913 1.00 0.00 C ATOM 256 C GLY A 21 0.959 3.198 -33.478 1.00 0.00 C ATOM 257 O GLY A 21 1.985 2.888 -34.082 1.00 0.00 O ATOM 0 H GLY A 21 -0.296 4.335 -31.155 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.756 5.310 -33.738 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.697 4.846 -32.335 1.00 0.00 H new ATOM 261 N CYS A 22 -0.034 2.344 -33.276 1.00 0.00 N ATOM 262 CA CYS A 22 0.031 0.989 -33.817 1.00 0.00 C ATOM 263 C CYS A 22 -0.260 0.975 -35.314 1.00 0.00 C ATOM 264 O CYS A 22 0.649 0.791 -36.132 1.00 0.00 O ATOM 265 CB CYS A 22 -0.932 0.050 -33.089 1.00 0.00 C ATOM 266 SG CYS A 22 -0.376 -0.456 -31.455 1.00 0.00 S ATOM 0 H CYS A 22 -0.882 2.557 -32.751 1.00 0.00 H new ATOM 0 HA CYS A 22 1.048 0.631 -33.658 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.900 0.542 -32.995 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.085 -0.840 -33.700 1.00 0.00 H new ATOM 0 HG CYS A 22 -1.260 -1.246 -30.921 1.00 0.00 H new ATOM 271 N GLY A 23 -1.523 1.175 -35.670 1.00 0.00 N ATOM 272 CA GLY A 23 -1.915 1.182 -37.067 1.00 0.00 C ATOM 273 C GLY A 23 -1.907 -0.204 -37.676 1.00 0.00 C ATOM 274 O GLY A 23 -2.929 -0.886 -37.697 1.00 0.00 O ATOM 0 H GLY A 23 -2.287 1.333 -35.012 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.913 1.611 -37.159 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.238 1.826 -37.628 1.00 0.00 H new ATOM 278 N SER A 24 -0.755 -0.615 -38.174 1.00 0.00 N ATOM 279 CA SER A 24 -0.605 -1.932 -38.765 1.00 0.00 C ATOM 280 C SER A 24 0.400 -2.769 -37.965 1.00 0.00 C ATOM 281 O SER A 24 0.643 -3.939 -38.274 1.00 0.00 O ATOM 282 CB SER A 24 -0.148 -1.804 -40.220 1.00 0.00 C ATOM 283 OG SER A 24 -0.990 -0.915 -40.944 1.00 0.00 O ATOM 0 H SER A 24 0.095 -0.052 -38.181 1.00 0.00 H new ATOM 0 HA SER A 24 -1.571 -2.437 -38.740 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.880 -1.443 -40.251 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.156 -2.785 -40.695 1.00 0.00 H new ATOM 0 HG SER A 24 -0.676 -0.849 -41.870 1.00 0.00 H new ATOM 289 N GLY A 25 0.971 -2.164 -36.932 1.00 0.00 N ATOM 290 CA GLY A 25 1.951 -2.846 -36.115 1.00 0.00 C ATOM 291 C GLY A 25 1.505 -2.928 -34.680 1.00 0.00 C ATOM 292 O GLY A 25 1.735 -2.007 -33.898 1.00 0.00 O ATOM 0 H GLY A 25 0.770 -1.206 -36.645 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.117 -3.850 -36.505 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.904 -2.321 -36.172 1.00 0.00 H new ATOM 296 N CYS A 26 0.861 -4.021 -34.335 1.00 0.00 N ATOM 297 CA CYS A 26 0.331 -4.203 -33.003 1.00 0.00 C ATOM 298 C CYS A 26 1.167 -5.169 -32.192 1.00 0.00 C ATOM 299 O CYS A 26 1.410 -6.302 -32.606 1.00 0.00 O ATOM 300 CB CYS A 26 -1.091 -4.720 -33.081 1.00 0.00 C ATOM 301 SG CYS A 26 -2.192 -3.673 -34.027 1.00 0.00 S ATOM 0 H CYS A 26 0.691 -4.804 -34.966 1.00 0.00 H new ATOM 0 HA CYS A 26 0.353 -3.233 -32.506 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.081 -5.716 -33.525 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.485 -4.825 -32.070 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.382 -4.195 -34.040 1.00 0.00 H new ATOM 306 N ASN A 27 1.609 -4.714 -31.041 1.00 0.00 N ATOM 307 CA ASN A 27 2.343 -5.558 -30.118 1.00 0.00 C ATOM 308 C ASN A 27 1.481 -5.841 -28.902 1.00 0.00 C ATOM 309 O ASN A 27 1.943 -6.394 -27.900 1.00 0.00 O ATOM 310 CB ASN A 27 3.670 -4.903 -29.708 1.00 0.00 C ATOM 311 CG ASN A 27 4.666 -4.845 -30.854 1.00 0.00 C ATOM 312 OD1 ASN A 27 4.672 -5.709 -31.734 1.00 0.00 O ATOM 313 ND2 ASN A 27 5.512 -3.836 -30.853 1.00 0.00 N ATOM 0 H ASN A 27 1.473 -3.756 -30.718 1.00 0.00 H new ATOM 0 HA ASN A 27 2.584 -6.499 -30.613 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.477 -3.893 -29.347 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.106 -5.460 -28.879 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.203 -3.749 -31.598 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.476 -3.141 -30.107 1.00 0.00 H new ATOM 320 N CYS A 28 0.213 -5.462 -29.007 1.00 0.00 N ATOM 321 CA CYS A 28 -0.753 -5.672 -27.952 1.00 0.00 C ATOM 322 C CYS A 28 -1.496 -6.991 -28.164 1.00 0.00 C ATOM 323 O CYS A 28 -1.299 -7.663 -29.177 1.00 0.00 O ATOM 324 CB CYS A 28 -1.735 -4.493 -27.894 1.00 0.00 C ATOM 325 SG CYS A 28 -2.443 -4.010 -29.492 1.00 0.00 S ATOM 0 H CYS A 28 -0.169 -4.999 -29.832 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.228 -5.730 -26.999 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.548 -4.750 -27.215 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.222 -3.632 -27.465 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.256 -3.010 -29.322 1.00 0.00 H new ATOM 330 N LYS A 29 -2.344 -7.356 -27.212 1.00 0.00 N ATOM 331 CA LYS A 29 -3.096 -8.610 -27.291 1.00 0.00 C ATOM 332 C LYS A 29 -4.223 -8.525 -28.302 1.00 0.00 C ATOM 333 O LYS A 29 -4.538 -7.450 -28.818 1.00 0.00 O ATOM 334 CB LYS A 29 -3.675 -8.997 -25.925 1.00 0.00 C ATOM 335 CG LYS A 29 -2.743 -9.814 -25.040 1.00 0.00 C ATOM 336 CD LYS A 29 -1.463 -9.079 -24.722 1.00 0.00 C ATOM 337 CE LYS A 29 -0.476 -9.993 -24.050 1.00 0.00 C ATOM 338 NZ LYS A 29 0.054 -11.013 -24.984 1.00 0.00 N ATOM 0 H LYS A 29 -2.531 -6.805 -26.375 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.391 -9.376 -27.614 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.952 -8.087 -25.393 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.592 -9.565 -26.083 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.255 -10.065 -24.111 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.505 -10.754 -25.537 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.030 -8.680 -25.639 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.678 -8.229 -24.075 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.349 -9.405 -23.648 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.956 -10.488 -23.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.938 -11.406 -24.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.644 -11.776 -25.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.240 -10.574 -25.908 1.00 0.00 H new ATOM 352 N GLU A 30 -4.851 -9.657 -28.552 1.00 0.00 N ATOM 353 CA GLU A 30 -5.966 -9.726 -29.496 1.00 0.00 C ATOM 354 C GLU A 30 -7.283 -9.394 -28.789 1.00 0.00 C ATOM 355 O GLU A 30 -8.368 -9.494 -29.369 1.00 0.00 O ATOM 356 CB GLU A 30 -6.034 -11.114 -30.167 1.00 0.00 C ATOM 357 CG GLU A 30 -6.287 -12.274 -29.210 1.00 0.00 C ATOM 358 CD GLU A 30 -6.238 -13.625 -29.904 1.00 0.00 C ATOM 359 OE1 GLU A 30 -7.257 -14.022 -30.500 1.00 0.00 O ATOM 360 OE2 GLU A 30 -5.185 -14.288 -29.858 1.00 0.00 O ATOM 0 H GLU A 30 -4.612 -10.548 -28.117 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.801 -8.986 -30.279 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.824 -11.101 -30.917 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.097 -11.294 -30.694 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.543 -12.252 -28.413 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.262 -12.146 -28.740 1.00 0.00 H new ATOM 367 N ASP A 31 -7.164 -8.980 -27.537 1.00 0.00 N ATOM 368 CA ASP A 31 -8.314 -8.619 -26.706 1.00 0.00 C ATOM 369 C ASP A 31 -8.543 -7.102 -26.757 1.00 0.00 C ATOM 370 O ASP A 31 -9.496 -6.581 -26.181 1.00 0.00 O ATOM 371 CB ASP A 31 -8.054 -9.075 -25.256 1.00 0.00 C ATOM 372 CG ASP A 31 -9.266 -8.953 -24.350 1.00 0.00 C ATOM 373 OD1 ASP A 31 -10.141 -9.841 -24.404 1.00 0.00 O ATOM 374 OD2 ASP A 31 -9.334 -7.991 -23.562 1.00 0.00 O ATOM 0 H ASP A 31 -6.266 -8.883 -27.062 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.209 -9.115 -27.083 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.722 -10.113 -25.265 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.239 -8.483 -24.839 1.00 0.00 H new ATOM 379 N CYS A 32 -7.664 -6.416 -27.480 1.00 0.00 N ATOM 380 CA CYS A 32 -7.695 -4.960 -27.608 1.00 0.00 C ATOM 381 C CYS A 32 -9.030 -4.462 -28.190 1.00 0.00 C ATOM 382 O CYS A 32 -9.603 -5.091 -29.084 1.00 0.00 O ATOM 383 CB CYS A 32 -6.533 -4.502 -28.492 1.00 0.00 C ATOM 384 SG CYS A 32 -6.409 -2.718 -28.694 1.00 0.00 S ATOM 0 H CYS A 32 -6.904 -6.856 -27.998 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.595 -4.532 -26.611 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.601 -4.873 -28.066 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.638 -4.960 -29.475 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.039 -2.126 -27.723 1.00 0.00 H new ATOM 389 N ARG A 33 -9.515 -3.332 -27.674 1.00 0.00 N ATOM 390 CA ARG A 33 -10.779 -2.753 -28.127 1.00 0.00 C ATOM 391 C ARG A 33 -10.547 -1.350 -28.713 1.00 0.00 C ATOM 392 O ARG A 33 -11.491 -0.573 -28.902 1.00 0.00 O ATOM 393 CB ARG A 33 -11.771 -2.667 -26.948 1.00 0.00 C ATOM 394 CG ARG A 33 -13.233 -2.506 -27.362 1.00 0.00 C ATOM 395 CD ARG A 33 -13.746 -3.775 -28.003 1.00 0.00 C ATOM 396 NE ARG A 33 -15.105 -3.665 -28.508 1.00 0.00 N ATOM 397 CZ ARG A 33 -15.634 -4.526 -29.378 1.00 0.00 C ATOM 398 NH1 ARG A 33 -14.909 -5.553 -29.821 1.00 0.00 N ATOM 399 NH2 ARG A 33 -16.881 -4.365 -29.805 1.00 0.00 N ATOM 0 H ARG A 33 -9.049 -2.799 -26.940 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.196 -3.394 -28.903 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.675 -3.568 -26.342 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.491 -1.825 -26.314 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.839 -2.262 -26.490 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.330 -1.674 -28.060 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.084 -4.051 -28.824 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.703 -4.584 -27.273 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.682 -2.891 -28.180 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.951 -5.679 -29.494 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.312 -6.212 -30.486 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.438 -3.580 -29.467 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.282 -5.026 -30.471 1.00 0.00 H new ATOM 413 N CYS A 34 -9.297 -1.042 -29.015 1.00 0.00 N ATOM 414 CA CYS A 34 -8.942 0.276 -29.525 1.00 0.00 C ATOM 415 C CYS A 34 -9.392 0.413 -30.977 1.00 0.00 C ATOM 416 O CYS A 34 -9.077 -0.432 -31.812 1.00 0.00 O ATOM 417 CB CYS A 34 -7.426 0.502 -29.412 1.00 0.00 C ATOM 418 SG CYS A 34 -6.922 2.243 -29.387 1.00 0.00 S ATOM 0 H CYS A 34 -8.511 -1.684 -28.917 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.450 1.033 -28.927 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.067 0.020 -28.502 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.935 0.007 -30.250 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.628 2.319 -29.288 1.00 0.00 H new ATOM 423 N GLN A 35 -10.136 1.479 -31.270 1.00 0.00 N ATOM 424 CA GLN A 35 -10.645 1.724 -32.626 1.00 0.00 C ATOM 425 C GLN A 35 -9.497 1.922 -33.604 1.00 0.00 C ATOM 426 O GLN A 35 -9.610 1.611 -34.790 1.00 0.00 O ATOM 427 CB GLN A 35 -11.544 2.974 -32.648 1.00 0.00 C ATOM 428 CG GLN A 35 -12.781 2.891 -31.763 1.00 0.00 C ATOM 429 CD GLN A 35 -13.779 1.856 -32.238 1.00 0.00 C ATOM 430 OE1 GLN A 35 -14.674 2.148 -33.027 1.00 0.00 O ATOM 431 NE2 GLN A 35 -13.629 0.638 -31.760 1.00 0.00 N ATOM 0 H GLN A 35 -10.402 2.190 -30.588 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.227 0.852 -32.925 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.951 3.835 -32.339 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.861 3.157 -33.675 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.477 2.653 -30.744 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.265 3.867 -31.732 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.872 0.436 -31.106 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.269 -0.104 -32.043 1.00 0.00 H new ATOM 440 N SER A 36 -8.396 2.422 -33.085 1.00 0.00 N ATOM 441 CA SER A 36 -7.232 2.748 -33.878 1.00 0.00 C ATOM 442 C SER A 36 -6.615 1.521 -34.564 1.00 0.00 C ATOM 443 O SER A 36 -6.319 1.550 -35.760 1.00 0.00 O ATOM 444 CB SER A 36 -6.195 3.397 -32.984 1.00 0.00 C ATOM 445 OG SER A 36 -6.792 4.357 -32.120 1.00 0.00 O ATOM 0 H SER A 36 -8.284 2.615 -32.090 1.00 0.00 H new ATOM 0 HA SER A 36 -7.553 3.428 -34.667 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.692 2.633 -32.391 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.433 3.879 -33.596 1.00 0.00 H new ATOM 0 HG SER A 36 -6.933 3.958 -31.236 1.00 0.00 H new ATOM 451 N CYS A 37 -6.437 0.457 -33.817 1.00 0.00 N ATOM 452 CA CYS A 37 -5.752 -0.719 -34.328 1.00 0.00 C ATOM 453 C CYS A 37 -6.609 -1.962 -34.217 1.00 0.00 C ATOM 454 O CYS A 37 -6.098 -3.076 -34.137 1.00 0.00 O ATOM 455 CB CYS A 37 -4.457 -0.906 -33.567 1.00 0.00 C ATOM 456 SG CYS A 37 -4.661 -0.779 -31.785 1.00 0.00 S ATOM 0 H CYS A 37 -6.755 0.376 -32.851 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.545 -0.564 -35.387 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.038 -1.882 -33.810 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.737 -0.158 -33.898 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.511 -0.952 -31.203 1.00 0.00 H new ATOM 461 N LYS A 38 -7.918 -1.777 -34.245 1.00 0.00 N ATOM 462 CA LYS A 38 -8.845 -2.899 -34.170 1.00 0.00 C ATOM 463 C LYS A 38 -8.733 -3.767 -35.433 1.00 0.00 C ATOM 464 O LYS A 38 -9.242 -4.890 -35.487 1.00 0.00 O ATOM 465 CB LYS A 38 -10.268 -2.396 -33.991 1.00 0.00 C ATOM 466 CG LYS A 38 -11.224 -3.458 -33.492 1.00 0.00 C ATOM 467 CD LYS A 38 -12.410 -3.611 -34.417 1.00 0.00 C ATOM 468 CE LYS A 38 -13.249 -2.337 -34.462 1.00 0.00 C ATOM 469 NZ LYS A 38 -14.388 -2.445 -35.409 1.00 0.00 N ATOM 0 H LYS A 38 -8.365 -0.863 -34.319 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.585 -3.511 -33.307 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.265 -1.562 -33.289 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.631 -2.010 -34.943 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.701 -4.410 -33.408 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.571 -3.196 -32.493 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.062 -3.855 -35.421 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.028 -4.444 -34.083 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.629 -2.119 -33.464 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.616 -1.498 -34.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.928 -1.556 -35.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.027 -2.626 -36.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.008 -3.228 -35.119 1.00 0.00 H new ATOM 528 N CYS A 43 -7.434 -1.380 -42.328 1.00 0.00 N ATOM 529 CA CYS A 43 -8.015 -1.674 -43.616 1.00 0.00 C ATOM 530 C CYS A 43 -9.541 -1.561 -43.558 1.00 0.00 C ATOM 531 O CYS A 43 -10.106 -1.244 -42.506 1.00 0.00 O ATOM 532 CB CYS A 43 -7.590 -3.082 -44.047 1.00 0.00 C ATOM 533 SG CYS A 43 -7.491 -3.321 -45.838 1.00 0.00 S ATOM 0 HA CYS A 43 -7.658 -0.950 -44.349 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.617 -3.304 -43.609 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.296 -3.803 -43.636 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.122 -4.541 -46.093 1.00 0.00 H new ATOM 538 N THR A 44 -10.195 -1.813 -44.683 1.00 0.00 N ATOM 539 CA THR A 44 -11.641 -1.740 -44.774 1.00 0.00 C ATOM 540 C THR A 44 -12.308 -2.879 -43.995 1.00 0.00 C ATOM 541 O THR A 44 -11.819 -4.011 -43.983 1.00 0.00 O ATOM 542 CB THR A 44 -12.087 -1.774 -46.249 1.00 0.00 C ATOM 543 OG1 THR A 44 -11.178 -2.590 -47.004 1.00 0.00 O ATOM 544 CG2 THR A 44 -12.112 -0.371 -46.837 1.00 0.00 C ATOM 0 H THR A 44 -9.736 -2.073 -45.556 1.00 0.00 H new ATOM 0 HA THR A 44 -11.956 -0.797 -44.328 1.00 0.00 H new ATOM 0 HB THR A 44 -13.093 -2.191 -46.299 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.657 -3.011 -47.748 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.429 -0.419 -47.879 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.810 0.248 -46.273 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.114 0.065 -46.781 1.00 0.00 H new ATOM 552 N ASP A 45 -13.426 -2.573 -43.347 1.00 0.00 N ATOM 553 CA ASP A 45 -14.136 -3.559 -42.530 1.00 0.00 C ATOM 554 C ASP A 45 -14.888 -4.554 -43.403 1.00 0.00 C ATOM 555 O ASP A 45 -15.086 -5.704 -43.015 1.00 0.00 O ATOM 556 CB ASP A 45 -15.101 -2.869 -41.558 1.00 0.00 C ATOM 557 CG ASP A 45 -16.373 -2.368 -42.219 1.00 0.00 C ATOM 558 OD1 ASP A 45 -16.299 -1.431 -43.034 1.00 0.00 O ATOM 559 OD2 ASP A 45 -17.455 -2.905 -41.908 1.00 0.00 O ATOM 0 H ASP A 45 -13.863 -1.652 -43.369 1.00 0.00 H new ATOM 0 HA ASP A 45 -13.393 -4.106 -41.950 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.365 -3.567 -40.764 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.591 -2.029 -41.087 1.00 0.00 H new ATOM 564 N VAL A 46 -15.295 -4.108 -44.587 1.00 0.00 N ATOM 565 CA VAL A 46 -15.980 -4.978 -45.541 1.00 0.00 C ATOM 566 C VAL A 46 -14.999 -6.030 -46.064 1.00 0.00 C ATOM 567 O VAL A 46 -15.389 -7.091 -46.556 1.00 0.00 O ATOM 568 CB VAL A 46 -16.567 -4.163 -46.720 1.00 0.00 C ATOM 569 CG1 VAL A 46 -17.366 -5.055 -47.662 1.00 0.00 C ATOM 570 CG2 VAL A 46 -17.439 -3.037 -46.196 1.00 0.00 C ATOM 0 H VAL A 46 -15.163 -3.150 -44.910 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.808 -5.470 -45.031 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.737 -3.737 -47.283 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -17.766 -4.455 -48.480 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.717 -5.832 -48.066 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.188 -5.517 -47.116 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -17.846 -2.471 -47.034 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -18.257 -3.454 -45.608 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -16.841 -2.376 -45.568 1.00 0.00 H new ATOM 580 N CYS A 47 -13.729 -5.722 -45.923 1.00 0.00 N ATOM 581 CA CYS A 47 -12.665 -6.613 -46.316 1.00 0.00 C ATOM 582 C CYS A 47 -12.410 -7.636 -45.218 1.00 0.00 C ATOM 583 O CYS A 47 -11.979 -8.760 -45.470 1.00 0.00 O ATOM 584 CB CYS A 47 -11.406 -5.802 -46.588 1.00 0.00 C ATOM 585 SG CYS A 47 -9.960 -6.778 -46.973 1.00 0.00 S ATOM 0 H CYS A 47 -13.405 -4.839 -45.529 1.00 0.00 H new ATOM 0 HA CYS A 47 -12.951 -7.146 -47.223 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -11.600 -5.122 -47.417 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -11.191 -5.187 -45.715 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.138 -7.998 -46.561 1.00 0.00 H new ATOM 590 N LYS A 48 -12.710 -7.252 -44.000 1.00 0.00 N ATOM 591 CA LYS A 48 -12.508 -8.113 -42.863 1.00 0.00 C ATOM 592 C LYS A 48 -13.778 -8.915 -42.559 1.00 0.00 C ATOM 593 O LYS A 48 -14.003 -9.351 -41.428 1.00 0.00 O ATOM 594 CB LYS A 48 -12.062 -7.275 -41.663 1.00 0.00 C ATOM 595 CG LYS A 48 -10.829 -6.417 -41.964 1.00 0.00 C ATOM 596 CD LYS A 48 -9.621 -7.284 -42.322 1.00 0.00 C ATOM 597 CE LYS A 48 -8.463 -6.470 -42.856 1.00 0.00 C ATOM 598 NZ LYS A 48 -7.319 -7.342 -43.215 1.00 0.00 N ATOM 0 H LYS A 48 -13.099 -6.337 -43.771 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.722 -8.834 -43.087 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.882 -6.628 -41.352 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.843 -7.937 -40.825 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.049 -5.738 -42.788 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.592 -5.800 -41.097 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.298 -7.834 -41.438 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.916 -8.023 -43.067 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.784 -5.907 -43.732 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.149 -5.743 -42.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.538 -6.759 -43.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.000 -7.861 -42.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.615 -8.019 -43.947 1.00 0.00 H new ATOM 612 N GLN A 49 -14.598 -9.114 -43.594 1.00 0.00 N ATOM 613 CA GLN A 49 -15.820 -9.901 -43.482 1.00 0.00 C ATOM 614 C GLN A 49 -15.539 -11.362 -43.812 1.00 0.00 C ATOM 615 O GLN A 49 -14.420 -11.725 -44.197 1.00 0.00 O ATOM 616 CB GLN A 49 -16.901 -9.386 -44.440 1.00 0.00 C ATOM 617 CG GLN A 49 -17.364 -7.970 -44.181 1.00 0.00 C ATOM 618 CD GLN A 49 -18.502 -7.555 -45.107 1.00 0.00 C ATOM 619 OE1 GLN A 49 -18.601 -8.027 -46.241 1.00 0.00 O ATOM 620 NE2 GLN A 49 -19.357 -6.676 -44.631 1.00 0.00 N ATOM 0 H GLN A 49 -14.432 -8.735 -44.526 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.175 -9.808 -42.456 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.520 -9.447 -45.460 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.763 -10.050 -44.382 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.691 -7.881 -43.145 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -16.525 -7.286 -44.311 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.239 -6.310 -43.686 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.138 -6.361 -45.207 1.00 0.00 H new ATOM 629 N THR A 50 -16.550 -12.192 -43.664 1.00 0.00 N ATOM 630 CA THR A 50 -16.455 -13.601 -43.988 1.00 0.00 C ATOM 631 C THR A 50 -17.844 -14.146 -44.352 1.00 0.00 C ATOM 632 O THR A 50 -18.682 -14.341 -43.473 1.00 0.00 O ATOM 633 CB THR A 50 -15.871 -14.412 -42.809 1.00 0.00 C ATOM 634 OG1 THR A 50 -14.599 -13.859 -42.429 1.00 0.00 O ATOM 635 CG2 THR A 50 -15.689 -15.875 -43.196 1.00 0.00 C ATOM 0 H THR A 50 -17.465 -11.908 -43.314 1.00 0.00 H new ATOM 0 HA THR A 50 -15.782 -13.707 -44.839 1.00 0.00 H new ATOM 0 HB THR A 50 -16.567 -14.356 -41.972 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.230 -14.372 -41.680 1.00 0.00 H new ATOM 0 HG21 THR A 50 -15.277 -16.426 -42.351 1.00 0.00 H new ATOM 0 HG22 THR A 50 -16.654 -16.301 -43.472 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.006 -15.945 -44.043 1.00 0.00 H new ATOM 643 N PRO A 51 -18.117 -14.376 -45.657 1.00 0.00 N ATOM 644 CA PRO A 51 -17.150 -14.150 -46.741 1.00 0.00 C ATOM 645 C PRO A 51 -16.870 -12.669 -46.968 1.00 0.00 C ATOM 646 O PRO A 51 -17.709 -11.813 -46.684 1.00 0.00 O ATOM 647 CB PRO A 51 -17.844 -14.751 -47.967 1.00 0.00 C ATOM 648 CG PRO A 51 -19.295 -14.661 -47.656 1.00 0.00 C ATOM 649 CD PRO A 51 -19.409 -14.864 -46.172 1.00 0.00 C ATOM 0 HA PRO A 51 -16.180 -14.595 -46.519 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -17.597 -14.198 -48.873 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -17.537 -15.784 -48.130 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.699 -13.692 -47.950 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.859 -15.419 -48.199 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -20.245 -14.304 -45.753 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -19.571 -15.912 -45.922 1.00 0.00 H new ATOM 657 N CYS A 52 -15.688 -12.378 -47.467 1.00 0.00 N ATOM 658 CA CYS A 52 -15.283 -11.014 -47.722 1.00 0.00 C ATOM 659 C CYS A 52 -16.021 -10.452 -48.930 1.00 0.00 C ATOM 660 O CYS A 52 -16.109 -11.103 -49.976 1.00 0.00 O ATOM 661 CB CYS A 52 -13.778 -10.950 -47.956 1.00 0.00 C ATOM 662 SG CYS A 52 -13.147 -9.291 -48.249 1.00 0.00 S ATOM 0 H CYS A 52 -14.984 -13.077 -47.706 1.00 0.00 H new ATOM 0 HA CYS A 52 -15.535 -10.411 -46.850 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -13.269 -11.373 -47.090 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -13.528 -11.578 -48.811 1.00 0.00 H new ATOM 0 HG CYS A 52 -11.861 -9.342 -48.434 1.00 0.00 H new ATOM 667 N GLY A 53 -16.550 -9.253 -48.781 1.00 0.00 N ATOM 668 CA GLY A 53 -17.258 -8.621 -49.867 1.00 0.00 C ATOM 669 C GLY A 53 -16.642 -7.301 -50.233 1.00 0.00 C ATOM 670 O GLY A 53 -17.326 -6.390 -50.693 1.00 0.00 O ATOM 0 H GLY A 53 -16.501 -8.703 -47.923 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.254 -9.279 -50.736 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -18.300 -8.471 -49.585 1.00 0.00 H new ATOM 674 N CYS A 54 -15.340 -7.200 -50.035 1.00 0.00 N ATOM 675 CA CYS A 54 -14.614 -5.972 -50.294 1.00 0.00 C ATOM 676 C CYS A 54 -14.704 -5.569 -51.756 1.00 0.00 C ATOM 677 O CYS A 54 -14.966 -4.417 -52.072 1.00 0.00 O ATOM 678 CB CYS A 54 -13.165 -6.128 -49.896 1.00 0.00 C ATOM 679 SG CYS A 54 -12.323 -4.569 -49.649 1.00 0.00 S ATOM 0 H CYS A 54 -14.759 -7.965 -49.691 1.00 0.00 H new ATOM 0 HA CYS A 54 -15.073 -5.185 -49.696 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -13.109 -6.712 -48.977 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -12.644 -6.696 -50.667 1.00 0.00 H new ATOM 0 HG CYS A 54 -11.063 -4.706 -49.937 1.00 0.00 H new ATOM 684 N ALA A 55 -14.507 -6.530 -52.644 1.00 0.00 N ATOM 685 CA ALA A 55 -14.568 -6.270 -54.077 1.00 0.00 C ATOM 686 C ALA A 55 -15.980 -5.868 -54.494 1.00 0.00 C ATOM 687 O ALA A 55 -16.188 -5.282 -55.558 1.00 0.00 O ATOM 688 CB ALA A 55 -14.110 -7.494 -54.852 1.00 0.00 C ATOM 0 H ALA A 55 -14.303 -7.499 -52.399 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.899 -5.441 -54.307 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.160 -7.287 -55.921 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.083 -7.736 -54.577 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.758 -8.338 -54.615 1.00 0.00 H new ATOM 694 N THR A 56 -16.933 -6.165 -53.637 1.00 0.00 N ATOM 695 CA THR A 56 -18.312 -5.861 -53.893 1.00 0.00 C ATOM 696 C THR A 56 -18.661 -4.463 -53.377 1.00 0.00 C ATOM 697 O THR A 56 -19.353 -3.702 -54.047 1.00 0.00 O ATOM 698 CB THR A 56 -19.222 -6.897 -53.215 1.00 0.00 C ATOM 699 OG1 THR A 56 -18.715 -8.218 -53.471 1.00 0.00 O ATOM 700 CG2 THR A 56 -20.646 -6.793 -53.738 1.00 0.00 C ATOM 0 H THR A 56 -16.766 -6.625 -52.742 1.00 0.00 H new ATOM 0 HA THR A 56 -18.470 -5.892 -54.971 1.00 0.00 H new ATOM 0 HB THR A 56 -19.231 -6.701 -52.143 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.293 -8.880 -53.038 1.00 0.00 H new ATOM 0 HG21 THR A 56 -21.271 -7.537 -53.243 1.00 0.00 H new ATOM 0 HG22 THR A 56 -21.037 -5.796 -53.533 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.653 -6.972 -54.813 1.00 0.00 H new ATOM 708 N SER A 57 -18.165 -4.124 -52.191 1.00 0.00 N ATOM 709 CA SER A 57 -18.460 -2.833 -51.607 1.00 0.00 C ATOM 710 C SER A 57 -17.224 -2.217 -50.945 1.00 0.00 C ATOM 711 O SER A 57 -17.139 -2.134 -49.717 1.00 0.00 O ATOM 712 CB SER A 57 -19.601 -2.955 -50.586 1.00 0.00 C ATOM 713 OG SER A 57 -20.274 -1.712 -50.409 1.00 0.00 O ATOM 0 H SER A 57 -17.564 -4.723 -51.625 1.00 0.00 H new ATOM 0 HA SER A 57 -18.772 -2.170 -52.414 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.311 -3.711 -50.920 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.201 -3.294 -49.630 1.00 0.00 H new ATOM 0 HG SER A 57 -20.996 -1.821 -49.755 1.00 0.00 H new ATOM 719 N GLY A 58 -16.258 -1.822 -51.752 1.00 0.00 N ATOM 720 CA GLY A 58 -15.099 -1.140 -51.217 1.00 0.00 C ATOM 721 C GLY A 58 -13.843 -1.390 -52.014 1.00 0.00 C ATOM 722 O GLY A 58 -13.673 -0.842 -53.103 1.00 0.00 O ATOM 0 H GLY A 58 -16.252 -1.959 -52.763 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.297 -0.068 -51.189 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.939 -1.462 -50.188 1.00 0.00 H new ATOM 726 N CYS A 59 -12.968 -2.214 -51.457 1.00 0.00 N ATOM 727 CA CYS A 59 -11.694 -2.572 -52.068 1.00 0.00 C ATOM 728 C CYS A 59 -10.777 -1.354 -52.199 1.00 0.00 C ATOM 729 O CYS A 59 -10.311 -1.014 -53.289 1.00 0.00 O ATOM 730 CB CYS A 59 -11.910 -3.259 -53.420 1.00 0.00 C ATOM 731 SG CYS A 59 -10.760 -4.614 -53.747 1.00 0.00 S ATOM 0 H CYS A 59 -13.125 -2.660 -50.553 1.00 0.00 H new ATOM 0 HA CYS A 59 -11.195 -3.283 -51.410 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.929 -3.643 -53.462 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.816 -2.517 -54.213 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.021 -5.134 -54.910 1.00 0.00 H new ATOM 736 N ASN A 60 -10.527 -0.698 -51.070 1.00 0.00 N ATOM 737 CA ASN A 60 -9.645 0.472 -51.026 1.00 0.00 C ATOM 738 C ASN A 60 -8.190 0.018 -50.930 1.00 0.00 C ATOM 739 O ASN A 60 -7.257 0.796 -51.127 1.00 0.00 O ATOM 740 CB ASN A 60 -9.995 1.355 -49.818 1.00 0.00 C ATOM 741 CG ASN A 60 -9.174 2.637 -49.759 1.00 0.00 C ATOM 742 OD1 ASN A 60 -8.830 3.219 -50.784 1.00 0.00 O ATOM 743 ND2 ASN A 60 -8.851 3.074 -48.559 1.00 0.00 N ATOM 0 H ASN A 60 -10.924 -0.956 -50.166 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.782 1.052 -51.938 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.054 1.610 -49.856 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.837 0.786 -48.902 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.296 3.924 -48.458 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.156 2.562 -47.731 1.00 0.00 H new ATOM 750 N CYS A 61 -8.016 -1.250 -50.638 1.00 0.00 N ATOM 751 CA CYS A 61 -6.706 -1.841 -50.490 1.00 0.00 C ATOM 752 C CYS A 61 -6.099 -2.167 -51.850 1.00 0.00 C ATOM 753 O CYS A 61 -6.768 -2.063 -52.886 1.00 0.00 O ATOM 754 CB CYS A 61 -6.832 -3.104 -49.664 1.00 0.00 C ATOM 755 SG CYS A 61 -8.160 -4.184 -50.230 1.00 0.00 S ATOM 0 H CYS A 61 -8.785 -1.905 -50.495 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.048 -1.130 -49.990 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.889 -3.649 -49.697 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.009 -2.835 -48.623 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.207 -5.244 -49.479 1.00 0.00 H new ATOM 760 N THR A 62 -4.843 -2.550 -51.849 1.00 0.00 N ATOM 761 CA THR A 62 -4.156 -2.908 -53.065 1.00 0.00 C ATOM 762 C THR A 62 -4.106 -4.425 -53.219 1.00 0.00 C ATOM 763 O THR A 62 -4.496 -5.162 -52.312 1.00 0.00 O ATOM 764 CB THR A 62 -2.722 -2.343 -53.072 1.00 0.00 C ATOM 765 OG1 THR A 62 -2.038 -2.750 -51.879 1.00 0.00 O ATOM 766 CG2 THR A 62 -2.741 -0.823 -53.153 1.00 0.00 C ATOM 0 H THR A 62 -4.272 -2.622 -51.007 1.00 0.00 H new ATOM 0 HA THR A 62 -4.707 -2.478 -53.901 1.00 0.00 H new ATOM 0 HB THR A 62 -2.201 -2.732 -53.947 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.126 -2.391 -51.886 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.718 -0.446 -53.157 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.245 -0.514 -54.069 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.273 -0.419 -52.292 1.00 0.00 H new ATOM 774 N ASP A 63 -3.600 -4.890 -54.354 1.00 0.00 N ATOM 775 CA ASP A 63 -3.485 -6.327 -54.623 1.00 0.00 C ATOM 776 C ASP A 63 -2.338 -6.929 -53.798 1.00 0.00 C ATOM 777 O ASP A 63 -2.046 -8.121 -53.872 1.00 0.00 O ATOM 778 CB ASP A 63 -3.268 -6.561 -56.130 1.00 0.00 C ATOM 779 CG ASP A 63 -3.421 -8.016 -56.548 1.00 0.00 C ATOM 780 OD1 ASP A 63 -2.395 -8.687 -56.792 1.00 0.00 O ATOM 781 OD2 ASP A 63 -4.579 -8.485 -56.666 1.00 0.00 O ATOM 0 H ASP A 63 -3.260 -4.294 -55.109 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.409 -6.825 -54.329 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.980 -5.954 -56.690 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.271 -6.216 -56.403 1.00 0.00 H new ATOM 786 N ASP A 64 -1.694 -6.074 -53.007 1.00 0.00 N ATOM 787 CA ASP A 64 -0.615 -6.485 -52.116 1.00 0.00 C ATOM 788 C ASP A 64 -1.207 -7.083 -50.842 1.00 0.00 C ATOM 789 O ASP A 64 -0.536 -7.816 -50.105 1.00 0.00 O ATOM 790 CB ASP A 64 0.279 -5.270 -51.777 1.00 0.00 C ATOM 791 CG ASP A 64 1.465 -5.600 -50.870 1.00 0.00 C ATOM 792 OD1 ASP A 64 1.269 -5.726 -49.642 1.00 0.00 O ATOM 793 OD2 ASP A 64 2.606 -5.687 -51.375 1.00 0.00 O ATOM 0 H ASP A 64 -1.906 -5.077 -52.967 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.002 -7.239 -52.610 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.654 -4.839 -52.705 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.332 -4.507 -51.295 1.00 0.00 H new ATOM 798 N CYS A 65 -2.482 -6.772 -50.603 1.00 0.00 N ATOM 799 CA CYS A 65 -3.204 -7.256 -49.436 1.00 0.00 C ATOM 800 C CYS A 65 -3.225 -8.783 -49.438 1.00 0.00 C ATOM 801 O CYS A 65 -3.431 -9.407 -50.481 1.00 0.00 O ATOM 802 CB CYS A 65 -4.642 -6.707 -49.446 1.00 0.00 C ATOM 803 SG CYS A 65 -5.467 -6.692 -47.831 1.00 0.00 S ATOM 0 H CYS A 65 -3.039 -6.177 -51.216 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.700 -6.910 -48.533 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.624 -5.690 -49.838 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.238 -7.304 -50.136 1.00 0.00 H new ATOM 0 HG CYS A 65 -6.667 -6.209 -47.961 1.00 0.00 H new ATOM 808 N LYS A 66 -3.022 -9.380 -48.274 1.00 0.00 N ATOM 809 CA LYS A 66 -2.985 -10.839 -48.146 1.00 0.00 C ATOM 810 C LYS A 66 -4.382 -11.431 -48.122 1.00 0.00 C ATOM 811 O LYS A 66 -4.633 -12.438 -47.456 1.00 0.00 O ATOM 812 CB LYS A 66 -2.234 -11.233 -46.885 1.00 0.00 C ATOM 813 CG LYS A 66 -0.769 -10.896 -46.938 1.00 0.00 C ATOM 814 CD LYS A 66 -0.094 -11.156 -45.615 1.00 0.00 C ATOM 815 CE LYS A 66 1.396 -10.855 -45.699 1.00 0.00 C ATOM 816 NZ LYS A 66 1.661 -9.485 -46.220 1.00 0.00 N ATOM 0 H LYS A 66 -2.879 -8.879 -47.397 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.466 -11.237 -49.018 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.685 -10.731 -46.029 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.348 -12.305 -46.722 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.286 -11.487 -47.716 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.645 -9.848 -47.211 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.551 -10.539 -44.841 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.244 -12.196 -45.324 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.843 -10.959 -44.710 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.878 -11.588 -46.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.649 -9.225 -46.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.492 -9.465 -47.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.027 -8.807 -45.751 1.00 0.00 H new ATOM 830 N CYS A 67 -5.275 -10.831 -48.861 1.00 0.00 N ATOM 831 CA CYS A 67 -6.620 -11.300 -48.916 1.00 0.00 C ATOM 832 C CYS A 67 -6.949 -11.767 -50.316 1.00 0.00 C ATOM 833 O CYS A 67 -7.000 -10.976 -51.255 1.00 0.00 O ATOM 834 CB CYS A 67 -7.581 -10.221 -48.456 1.00 0.00 C ATOM 835 SG CYS A 67 -9.191 -10.857 -47.992 1.00 0.00 S ATOM 0 H CYS A 67 -5.086 -10.010 -49.436 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.727 -12.148 -48.239 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.147 -9.696 -47.605 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.703 -9.489 -49.254 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.952 -9.875 -47.610 1.00 0.00 H new ATOM 840 N GLN A 68 -7.173 -13.057 -50.445 1.00 0.00 N ATOM 841 CA GLN A 68 -7.417 -13.681 -51.733 1.00 0.00 C ATOM 842 C GLN A 68 -8.876 -13.554 -52.146 1.00 0.00 C ATOM 843 O GLN A 68 -9.270 -14.034 -53.204 1.00 0.00 O ATOM 844 CB GLN A 68 -7.020 -15.169 -51.689 1.00 0.00 C ATOM 845 CG GLN A 68 -5.602 -15.440 -51.174 1.00 0.00 C ATOM 846 CD GLN A 68 -5.463 -15.265 -49.667 1.00 0.00 C ATOM 847 OE1 GLN A 68 -6.418 -15.466 -48.908 1.00 0.00 O ATOM 848 NE2 GLN A 68 -4.279 -14.889 -49.228 1.00 0.00 N ATOM 0 H GLN A 68 -7.192 -13.707 -49.659 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.806 -13.162 -52.472 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.730 -15.701 -51.056 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.113 -15.585 -52.692 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.314 -16.456 -51.443 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.906 -14.768 -51.676 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.516 -14.733 -49.887 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.125 -14.754 -48.229 1.00 0.00 H new ATOM 857 N SER A 69 -9.666 -12.909 -51.316 1.00 0.00 N ATOM 858 CA SER A 69 -11.079 -12.751 -51.587 1.00 0.00 C ATOM 859 C SER A 69 -11.324 -11.665 -52.636 1.00 0.00 C ATOM 860 O SER A 69 -11.976 -11.906 -53.655 1.00 0.00 O ATOM 861 CB SER A 69 -11.811 -12.407 -50.300 1.00 0.00 C ATOM 862 OG SER A 69 -11.410 -13.268 -49.246 1.00 0.00 O ATOM 0 H SER A 69 -9.352 -12.483 -50.444 1.00 0.00 H new ATOM 0 HA SER A 69 -11.460 -13.692 -51.983 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.608 -11.372 -50.027 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.887 -12.491 -50.455 1.00 0.00 H new ATOM 0 HG SER A 69 -10.751 -12.811 -48.683 1.00 0.00 H new ATOM 868 N CYS A 70 -10.799 -10.477 -52.383 1.00 0.00 N ATOM 869 CA CYS A 70 -10.990 -9.346 -53.280 1.00 0.00 C ATOM 870 C CYS A 70 -9.813 -9.169 -54.241 1.00 0.00 C ATOM 871 O CYS A 70 -9.999 -8.769 -55.393 1.00 0.00 O ATOM 872 CB CYS A 70 -11.210 -8.085 -52.468 1.00 0.00 C ATOM 873 SG CYS A 70 -10.150 -7.973 -51.020 1.00 0.00 S ATOM 0 H CYS A 70 -10.234 -10.269 -51.560 1.00 0.00 H new ATOM 0 HA CYS A 70 -11.871 -9.545 -53.890 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -11.036 -7.217 -53.104 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -12.252 -8.044 -52.150 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.540 -6.983 -50.273 1.00 0.00 H new ATOM 878 N SER A 71 -8.610 -9.463 -53.768 1.00 0.00 N ATOM 879 CA SER A 71 -7.418 -9.343 -54.599 1.00 0.00 C ATOM 880 C SER A 71 -7.359 -10.492 -55.612 1.00 0.00 C ATOM 881 O SER A 71 -8.108 -11.469 -55.500 1.00 0.00 O ATOM 882 CB SER A 71 -6.167 -9.337 -53.720 1.00 0.00 C ATOM 883 OG SER A 71 -6.290 -8.390 -52.667 1.00 0.00 O ATOM 0 H SER A 71 -8.433 -9.785 -52.817 1.00 0.00 H new ATOM 0 HA SER A 71 -7.462 -8.403 -55.149 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.006 -10.331 -53.303 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.293 -9.100 -54.327 1.00 0.00 H new ATOM 0 HG SER A 71 -6.542 -8.851 -51.840 1.00 0.00 H new ATOM 889 N THR A 72 -6.479 -10.378 -56.592 1.00 0.00 N ATOM 890 CA THR A 72 -6.359 -11.398 -57.616 1.00 0.00 C ATOM 891 C THR A 72 -5.591 -12.610 -57.093 1.00 0.00 C ATOM 892 O THR A 72 -4.628 -12.471 -56.329 1.00 0.00 O ATOM 893 CB THR A 72 -5.674 -10.853 -58.888 1.00 0.00 C ATOM 894 OG1 THR A 72 -4.417 -10.250 -58.557 1.00 0.00 O ATOM 895 CG2 THR A 72 -6.560 -9.830 -59.584 1.00 0.00 C ATOM 0 H THR A 72 -5.839 -9.591 -56.699 1.00 0.00 H new ATOM 0 HA THR A 72 -7.371 -11.706 -57.879 1.00 0.00 H new ATOM 0 HB THR A 72 -5.506 -11.691 -59.564 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.573 -9.386 -58.123 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.056 -9.460 -60.477 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.503 -10.298 -59.867 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.756 -8.998 -58.907 1.00 0.00 H new ATOM 903 N ALA A 73 -6.022 -13.788 -57.498 1.00 0.00 N ATOM 904 CA ALA A 73 -5.402 -15.025 -57.065 1.00 0.00 C ATOM 905 C ALA A 73 -4.273 -15.424 -58.005 1.00 0.00 C ATOM 906 O ALA A 73 -4.175 -14.911 -59.125 1.00 0.00 O ATOM 907 CB ALA A 73 -6.445 -16.130 -57.000 1.00 0.00 C ATOM 0 H ALA A 73 -6.809 -13.915 -58.134 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.979 -14.871 -56.072 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.973 -17.057 -56.674 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.226 -15.852 -56.292 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.884 -16.274 -57.987 1.00 0.00 H new ATOM 913 N CYS A 74 -3.416 -16.323 -57.538 1.00 0.00 N ATOM 914 CA CYS A 74 -2.313 -16.834 -58.341 1.00 0.00 C ATOM 915 C CYS A 74 -2.878 -17.572 -59.560 1.00 0.00 C ATOM 916 O CYS A 74 -3.966 -18.149 -59.489 1.00 0.00 O ATOM 917 CB CYS A 74 -1.449 -17.787 -57.501 1.00 0.00 C ATOM 918 SG CYS A 74 0.269 -17.977 -58.071 1.00 0.00 S ATOM 0 H CYS A 74 -3.465 -16.716 -56.598 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.691 -16.004 -58.676 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.436 -17.429 -56.472 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.923 -18.769 -57.491 1.00 0.00 H new ATOM 0 HG CYS A 74 0.328 -18.918 -58.966 1.00 0.00 H new ATOM 923 N LYS A 75 -2.150 -17.557 -60.662 1.00 0.00 N ATOM 924 CA LYS A 75 -2.620 -18.184 -61.899 1.00 0.00 C ATOM 925 C LYS A 75 -2.097 -19.602 -62.026 1.00 0.00 C ATOM 926 O LYS A 75 -2.136 -20.207 -63.101 1.00 0.00 O ATOM 927 CB LYS A 75 -2.205 -17.345 -63.107 1.00 0.00 C ATOM 928 CG LYS A 75 -2.899 -15.997 -63.161 1.00 0.00 C ATOM 929 CD LYS A 75 -4.311 -16.115 -63.710 1.00 0.00 C ATOM 930 CE LYS A 75 -4.322 -16.030 -65.225 1.00 0.00 C ATOM 931 NZ LYS A 75 -3.860 -14.699 -65.706 1.00 0.00 N ATOM 0 H LYS A 75 -1.231 -17.120 -60.733 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.708 -18.233 -61.865 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.126 -17.191 -63.082 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.427 -17.898 -64.020 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.932 -15.564 -62.161 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.322 -15.315 -63.785 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.749 -17.062 -63.394 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.933 -15.322 -63.295 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.681 -16.809 -65.638 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.330 -16.220 -65.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.273 -14.505 -66.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.161 -13.964 -65.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.823 -14.697 -65.779 1.00 0.00 H new ATOM 945 N CYS A 76 -1.632 -20.126 -60.929 1.00 0.00 N ATOM 946 CA CYS A 76 -1.105 -21.463 -60.885 1.00 0.00 C ATOM 947 C CYS A 76 -2.134 -22.428 -60.314 1.00 0.00 C ATOM 948 O CYS A 76 -3.081 -22.016 -59.639 1.00 0.00 O ATOM 949 CB CYS A 76 0.133 -21.489 -60.023 1.00 0.00 C ATOM 950 SG CYS A 76 1.390 -20.327 -60.535 1.00 0.00 S ATOM 0 H CYS A 76 -1.607 -19.637 -60.034 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.859 -21.772 -61.901 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -0.149 -21.275 -58.992 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.553 -22.495 -60.037 1.00 0.00 H new ATOM 0 HG CYS A 76 2.414 -20.416 -59.739 1.00 0.00 H new ATOM 955 N ALA A 77 -1.937 -23.701 -60.578 1.00 0.00 N ATOM 956 CA ALA A 77 -2.811 -24.736 -60.075 1.00 0.00 C ATOM 957 C ALA A 77 -2.035 -25.641 -59.135 1.00 0.00 C ATOM 958 O ALA A 77 -0.817 -25.507 -59.015 1.00 0.00 O ATOM 959 CB ALA A 77 -3.399 -25.535 -61.227 1.00 0.00 C ATOM 0 H ALA A 77 -1.165 -24.047 -61.148 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.634 -24.278 -59.526 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.055 -26.311 -60.834 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.970 -24.871 -61.876 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.593 -25.996 -61.798 1.00 0.00 H new ATOM 965 N ALA A 78 -2.729 -26.573 -58.492 1.00 0.00 N ATOM 966 CA ALA A 78 -2.103 -27.483 -57.524 1.00 0.00 C ATOM 967 C ALA A 78 -0.920 -28.248 -58.126 1.00 0.00 C ATOM 968 O ALA A 78 0.006 -28.635 -57.410 1.00 0.00 O ATOM 969 CB ALA A 78 -3.131 -28.453 -56.970 1.00 0.00 C ATOM 0 H ALA A 78 -3.730 -26.723 -58.620 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.712 -26.870 -56.712 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.652 -29.121 -56.254 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.925 -27.897 -56.472 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.555 -29.039 -57.786 1.00 0.00 H new ATOM 975 N GLY A 79 -0.952 -28.460 -59.430 1.00 0.00 N ATOM 976 CA GLY A 79 0.125 -29.164 -60.088 1.00 0.00 C ATOM 977 C GLY A 79 0.659 -28.406 -61.283 1.00 0.00 C ATOM 978 O GLY A 79 0.989 -29.001 -62.302 1.00 0.00 O ATOM 0 H GLY A 79 -1.706 -28.156 -60.046 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.934 -29.334 -59.377 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.227 -30.144 -60.410 1.00 0.00 H new ATOM 982 N SER A 80 0.741 -27.091 -61.162 1.00 0.00 N ATOM 983 CA SER A 80 1.239 -26.255 -62.236 1.00 0.00 C ATOM 984 C SER A 80 1.643 -24.898 -61.694 1.00 0.00 C ATOM 985 O SER A 80 0.862 -24.236 -61.025 1.00 0.00 O ATOM 986 CB SER A 80 0.176 -26.091 -63.326 1.00 0.00 C ATOM 987 OG SER A 80 0.670 -25.323 -64.414 1.00 0.00 O ATOM 0 H SER A 80 0.466 -26.579 -60.324 1.00 0.00 H new ATOM 0 HA SER A 80 2.113 -26.737 -62.674 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.137 -27.072 -63.683 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.707 -25.607 -62.907 1.00 0.00 H new ATOM 0 HG SER A 80 0.175 -25.553 -65.228 1.00 0.00 H new ATOM 993 N CYS A 81 2.857 -24.494 -61.983 1.00 0.00 N ATOM 994 CA CYS A 81 3.376 -23.223 -61.516 1.00 0.00 C ATOM 995 C CYS A 81 3.975 -22.424 -62.680 1.00 0.00 C ATOM 996 O CYS A 81 4.594 -22.995 -63.574 1.00 0.00 O ATOM 997 CB CYS A 81 4.419 -23.470 -60.429 1.00 0.00 C ATOM 998 SG CYS A 81 5.208 -21.989 -59.814 1.00 0.00 S ATOM 0 H CYS A 81 3.514 -25.033 -62.547 1.00 0.00 H new ATOM 0 HA CYS A 81 2.561 -22.634 -61.096 1.00 0.00 H new ATOM 0 HB2 CYS A 81 3.942 -23.986 -59.596 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.185 -24.139 -60.822 1.00 0.00 H new ATOM 0 HG CYS A 81 6.213 -22.315 -59.057 1.00 0.00 H new ATOM 1003 N LYS A 82 3.773 -21.106 -62.675 1.00 0.00 N ATOM 1004 CA LYS A 82 4.277 -20.248 -63.761 1.00 0.00 C ATOM 1005 C LYS A 82 5.355 -19.302 -63.286 1.00 0.00 C ATOM 1006 O LYS A 82 6.487 -19.347 -63.765 1.00 0.00 O ATOM 1007 CB LYS A 82 3.153 -19.427 -64.395 1.00 0.00 C ATOM 1008 CG LYS A 82 2.290 -20.186 -65.374 1.00 0.00 C ATOM 1009 CD LYS A 82 1.444 -21.217 -64.694 1.00 0.00 C ATOM 1010 CE LYS A 82 0.537 -21.908 -65.704 1.00 0.00 C ATOM 1011 NZ LYS A 82 -0.371 -22.891 -65.071 1.00 0.00 N ATOM 0 H LYS A 82 3.270 -20.608 -61.941 1.00 0.00 H new ATOM 0 HA LYS A 82 4.701 -20.924 -64.503 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.518 -19.033 -63.602 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.592 -18.571 -64.907 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.648 -19.486 -65.910 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.924 -20.670 -66.117 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.081 -21.953 -64.203 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.842 -20.747 -63.916 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.054 -21.158 -66.229 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.149 -22.412 -66.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.147 -23.119 -65.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.158 -23.758 -64.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.763 -22.488 -64.196 1.00 0.00 H new ATOM 1025 N CYS A 83 4.989 -18.442 -62.345 1.00 0.00 N ATOM 1026 CA CYS A 83 5.884 -17.422 -61.812 1.00 0.00 C ATOM 1027 C CYS A 83 7.213 -18.022 -61.335 1.00 0.00 C ATOM 1028 O CYS A 83 8.263 -17.389 -61.429 1.00 0.00 O ATOM 1029 CB CYS A 83 5.187 -16.706 -60.666 1.00 0.00 C ATOM 1030 SG CYS A 83 4.702 -17.821 -59.344 1.00 0.00 S ATOM 0 H CYS A 83 4.058 -18.432 -61.927 1.00 0.00 H new ATOM 0 HA CYS A 83 6.119 -16.716 -62.608 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.850 -15.940 -60.265 1.00 0.00 H new ATOM 0 HB3 CYS A 83 4.303 -16.194 -61.047 1.00 0.00 H new ATOM 0 HG CYS A 83 4.311 -17.130 -58.315 1.00 0.00 H new ATOM 1035 N GLY A 84 7.157 -19.245 -60.828 1.00 0.00 N ATOM 1036 CA GLY A 84 8.356 -19.905 -60.371 1.00 0.00 C ATOM 1037 C GLY A 84 8.615 -19.669 -58.906 1.00 0.00 C ATOM 1038 O GLY A 84 9.678 -20.009 -58.392 1.00 0.00 O ATOM 0 H GLY A 84 6.301 -19.790 -60.726 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.271 -20.976 -60.555 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.208 -19.549 -60.950 1.00 0.00 H new ATOM 1042 N LYS A 85 7.653 -19.073 -58.227 1.00 0.00 N ATOM 1043 CA LYS A 85 7.788 -18.833 -56.806 1.00 0.00 C ATOM 1044 C LYS A 85 7.327 -20.064 -56.027 1.00 0.00 C ATOM 1045 O LYS A 85 7.631 -20.220 -54.846 1.00 0.00 O ATOM 1046 CB LYS A 85 7.010 -17.577 -56.386 1.00 0.00 C ATOM 1047 CG LYS A 85 7.507 -16.283 -57.048 1.00 0.00 C ATOM 1048 CD LYS A 85 8.935 -15.921 -56.616 1.00 0.00 C ATOM 1049 CE LYS A 85 9.427 -14.657 -57.312 1.00 0.00 C ATOM 1050 NZ LYS A 85 8.563 -13.477 -57.030 1.00 0.00 N ATOM 0 H LYS A 85 6.776 -18.749 -58.635 1.00 0.00 H new ATOM 0 HA LYS A 85 8.838 -18.654 -56.575 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.957 -17.716 -56.630 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.075 -17.467 -55.303 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.475 -16.396 -58.132 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.834 -15.465 -56.793 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.964 -15.777 -55.536 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.606 -16.749 -56.846 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.446 -14.442 -56.990 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.462 -14.829 -58.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.027 -12.615 -57.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.646 -13.596 -57.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.412 -13.395 -56.004 1.00 0.00 H new ATOM 1064 N GLY A 86 6.604 -20.947 -56.716 1.00 0.00 N ATOM 1065 CA GLY A 86 6.163 -22.195 -56.118 1.00 0.00 C ATOM 1066 C GLY A 86 4.981 -22.031 -55.190 1.00 0.00 C ATOM 1067 O GLY A 86 4.976 -22.565 -54.084 1.00 0.00 O ATOM 0 H GLY A 86 6.315 -20.817 -57.685 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.899 -22.896 -56.910 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.992 -22.637 -55.565 1.00 0.00 H new ATOM 1071 N CYS A 87 3.983 -21.301 -55.632 1.00 0.00 N ATOM 1072 CA CYS A 87 2.789 -21.085 -54.828 1.00 0.00 C ATOM 1073 C CYS A 87 1.676 -22.035 -55.241 1.00 0.00 C ATOM 1074 O CYS A 87 0.919 -22.520 -54.402 1.00 0.00 O ATOM 1075 CB CYS A 87 2.349 -19.638 -54.935 1.00 0.00 C ATOM 1076 SG CYS A 87 3.218 -18.729 -56.222 1.00 0.00 S ATOM 0 H CYS A 87 3.969 -20.844 -56.544 1.00 0.00 H new ATOM 0 HA CYS A 87 3.024 -21.296 -53.785 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.278 -19.604 -55.135 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.511 -19.144 -53.977 1.00 0.00 H new ATOM 0 HG CYS A 87 2.364 -18.301 -57.103 1.00 0.00 H new ATOM 1081 N THR A 88 1.597 -22.311 -56.539 1.00 0.00 N ATOM 1082 CA THR A 88 0.624 -23.260 -57.106 1.00 0.00 C ATOM 1083 C THR A 88 -0.822 -22.994 -56.652 1.00 0.00 C ATOM 1084 O THR A 88 -1.554 -23.920 -56.303 1.00 0.00 O ATOM 1085 CB THR A 88 1.015 -24.739 -56.814 1.00 0.00 C ATOM 1086 OG1 THR A 88 1.298 -24.929 -55.414 1.00 0.00 O ATOM 1087 CG2 THR A 88 2.227 -25.148 -57.639 1.00 0.00 C ATOM 0 H THR A 88 2.206 -21.884 -57.237 1.00 0.00 H new ATOM 0 HA THR A 88 0.659 -23.096 -58.183 1.00 0.00 H new ATOM 0 HB THR A 88 0.168 -25.366 -57.091 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.827 -24.248 -54.890 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.483 -26.185 -57.420 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.996 -25.048 -58.699 1.00 0.00 H new ATOM 0 HG23 THR A 88 3.071 -24.505 -57.389 1.00 0.00 H new ATOM 1095 N GLY A 89 -1.221 -21.734 -56.656 1.00 0.00 N ATOM 1096 CA GLY A 89 -2.586 -21.398 -56.299 1.00 0.00 C ATOM 1097 C GLY A 89 -2.653 -20.343 -55.224 1.00 0.00 C ATOM 1098 O GLY A 89 -1.644 -20.044 -54.595 1.00 0.00 O ATOM 0 H GLY A 89 -0.630 -20.939 -56.898 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.114 -21.045 -57.185 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.101 -22.296 -55.957 1.00 0.00 H new ATOM 1102 N PRO A 90 -3.849 -19.774 -54.960 1.00 0.00 N ATOM 1103 CA PRO A 90 -4.014 -18.712 -53.959 1.00 0.00 C ATOM 1104 C PRO A 90 -3.845 -19.256 -52.551 1.00 0.00 C ATOM 1105 O PRO A 90 -3.559 -18.519 -51.614 1.00 0.00 O ATOM 1106 CB PRO A 90 -5.457 -18.252 -54.169 1.00 0.00 C ATOM 1107 CG PRO A 90 -6.148 -19.446 -54.727 1.00 0.00 C ATOM 1108 CD PRO A 90 -5.135 -20.140 -55.591 1.00 0.00 C ATOM 0 HA PRO A 90 -3.279 -17.915 -54.069 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.912 -17.931 -53.232 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.509 -17.406 -54.855 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.498 -20.103 -53.931 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.023 -19.155 -55.308 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.286 -21.219 -55.602 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.187 -19.801 -56.626 1.00 0.00 H new ATOM 1116 N ASP A 91 -4.025 -20.562 -52.431 1.00 0.00 N ATOM 1117 CA ASP A 91 -3.903 -21.267 -51.167 1.00 0.00 C ATOM 1118 C ASP A 91 -2.519 -21.090 -50.567 1.00 0.00 C ATOM 1119 O ASP A 91 -2.379 -20.817 -49.376 1.00 0.00 O ATOM 1120 CB ASP A 91 -4.190 -22.755 -51.379 1.00 0.00 C ATOM 1121 CG ASP A 91 -3.770 -23.611 -50.203 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -4.580 -23.792 -49.269 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -2.629 -24.119 -50.213 1.00 0.00 O ATOM 0 H ASP A 91 -4.262 -21.167 -53.217 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.629 -20.847 -50.471 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.256 -22.892 -51.559 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.670 -23.096 -52.274 1.00 0.00 H new ATOM 1128 N SER A 92 -1.502 -21.234 -51.394 1.00 0.00 N ATOM 1129 CA SER A 92 -0.141 -21.122 -50.927 1.00 0.00 C ATOM 1130 C SER A 92 0.511 -19.819 -51.397 1.00 0.00 C ATOM 1131 O SER A 92 1.663 -19.528 -51.041 1.00 0.00 O ATOM 1132 CB SER A 92 0.667 -22.326 -51.393 1.00 0.00 C ATOM 1133 OG SER A 92 -0.026 -23.539 -51.121 1.00 0.00 O ATOM 0 H SER A 92 -1.596 -21.429 -52.391 1.00 0.00 H new ATOM 0 HA SER A 92 -0.157 -21.102 -49.837 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.862 -22.246 -52.462 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.635 -22.335 -50.892 1.00 0.00 H new ATOM 0 HG SER A 92 -0.878 -23.337 -50.681 1.00 0.00 H new ATOM 1139 N CYS A 93 -0.223 -19.029 -52.187 1.00 0.00 N ATOM 1140 CA CYS A 93 0.299 -17.757 -52.674 1.00 0.00 C ATOM 1141 C CYS A 93 0.278 -16.732 -51.558 1.00 0.00 C ATOM 1142 O CYS A 93 -0.719 -16.050 -51.334 1.00 0.00 O ATOM 1143 CB CYS A 93 -0.494 -17.245 -53.894 1.00 0.00 C ATOM 1144 SG CYS A 93 0.225 -15.784 -54.717 1.00 0.00 S ATOM 0 H CYS A 93 -1.169 -19.248 -52.498 1.00 0.00 H new ATOM 0 HA CYS A 93 1.328 -17.915 -52.998 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.574 -18.052 -54.622 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -1.508 -17.002 -53.575 1.00 0.00 H new ATOM 0 HG CYS A 93 -0.521 -15.444 -55.726 1.00 0.00 H new ATOM 1149 N LYS A 94 1.374 -16.666 -50.836 1.00 0.00 N ATOM 1150 CA LYS A 94 1.520 -15.732 -49.737 1.00 0.00 C ATOM 1151 C LYS A 94 2.263 -14.509 -50.225 1.00 0.00 C ATOM 1152 O LYS A 94 2.735 -13.682 -49.439 1.00 0.00 O ATOM 1153 CB LYS A 94 2.275 -16.396 -48.587 1.00 0.00 C ATOM 1154 CG LYS A 94 1.600 -17.657 -48.064 1.00 0.00 C ATOM 1155 CD LYS A 94 2.472 -18.384 -47.053 1.00 0.00 C ATOM 1156 CE LYS A 94 3.734 -18.954 -47.698 1.00 0.00 C ATOM 1157 NZ LYS A 94 3.422 -19.996 -48.716 1.00 0.00 N ATOM 0 H LYS A 94 2.190 -17.257 -50.992 1.00 0.00 H new ATOM 0 HA LYS A 94 0.537 -15.432 -49.373 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.283 -16.644 -48.920 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.376 -15.682 -47.770 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.648 -17.395 -47.602 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.377 -18.323 -48.898 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.751 -17.698 -46.253 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.901 -19.192 -46.595 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.297 -18.147 -48.167 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.373 -19.382 -46.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.305 -20.438 -49.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.807 -20.721 -48.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.936 -19.557 -49.524 1.00 0.00 H new ATOM 1171 N CYS A 95 2.356 -14.411 -51.535 1.00 0.00 N ATOM 1172 CA CYS A 95 3.016 -13.319 -52.199 1.00 0.00 C ATOM 1173 C CYS A 95 2.126 -12.083 -52.198 1.00 0.00 C ATOM 1174 O CYS A 95 1.228 -11.939 -51.356 1.00 0.00 O ATOM 1175 CB CYS A 95 3.336 -13.728 -53.637 1.00 0.00 C ATOM 1176 SG CYS A 95 4.414 -15.164 -53.774 1.00 0.00 S ATOM 0 H CYS A 95 1.966 -15.103 -52.175 1.00 0.00 H new ATOM 0 HA CYS A 95 3.939 -13.081 -51.670 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.403 -13.937 -54.159 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.805 -12.886 -54.147 1.00 0.00 H new ATOM 0 HG CYS A 95 4.623 -15.431 -55.029 1.00 0.00 H new ATOM 1181 N ASP A 96 2.382 -11.192 -53.115 1.00 0.00 N ATOM 1182 CA ASP A 96 1.599 -10.003 -53.243 1.00 0.00 C ATOM 1183 C ASP A 96 1.368 -9.689 -54.714 1.00 0.00 C ATOM 1184 O ASP A 96 1.424 -10.579 -55.568 1.00 0.00 O ATOM 1185 CB ASP A 96 2.272 -8.825 -52.508 1.00 0.00 C ATOM 1186 CG ASP A 96 3.630 -8.456 -53.055 1.00 0.00 C ATOM 1187 OD1 ASP A 96 4.650 -8.899 -52.484 1.00 0.00 O ATOM 1188 OD2 ASP A 96 3.688 -7.702 -54.034 1.00 0.00 O ATOM 0 H ASP A 96 3.140 -11.273 -53.793 1.00 0.00 H new ATOM 0 HA ASP A 96 0.628 -10.164 -52.775 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.619 -7.954 -52.565 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.373 -9.079 -51.453 1.00 0.00 H new ATOM 1193 N ARG A 97 1.111 -8.442 -55.006 1.00 0.00 N ATOM 1194 CA ARG A 97 0.823 -7.995 -56.358 1.00 0.00 C ATOM 1195 C ARG A 97 2.059 -8.030 -57.253 1.00 0.00 C ATOM 1196 O ARG A 97 1.952 -7.904 -58.473 1.00 0.00 O ATOM 1197 CB ARG A 97 0.279 -6.596 -56.306 1.00 0.00 C ATOM 1198 CG ARG A 97 1.225 -5.610 -55.669 1.00 0.00 C ATOM 1199 CD ARG A 97 0.551 -4.292 -55.490 1.00 0.00 C ATOM 1200 NE ARG A 97 1.394 -3.320 -54.818 1.00 0.00 N ATOM 1201 CZ ARG A 97 1.133 -2.014 -54.767 1.00 0.00 C ATOM 1202 NH1 ARG A 97 0.045 -1.527 -55.361 1.00 0.00 N ATOM 1203 NH2 ARG A 97 1.957 -1.199 -54.119 1.00 0.00 N ATOM 0 H ARG A 97 1.094 -7.695 -54.312 1.00 0.00 H new ATOM 0 HA ARG A 97 0.090 -8.677 -56.788 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.049 -6.265 -57.319 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.659 -6.599 -55.751 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.561 -5.989 -54.704 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.112 -5.492 -56.291 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.260 -3.902 -56.465 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.365 -4.432 -54.916 1.00 0.00 H new ATOM 0 HE ARG A 97 2.239 -3.657 -54.356 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.590 -2.154 -55.856 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.154 -0.527 -55.321 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.788 -1.573 -53.661 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.759 -0.199 -54.079 1.00 0.00 H new ATOM 1217 N SER A 98 3.223 -8.208 -56.648 1.00 0.00 N ATOM 1218 CA SER A 98 4.473 -8.255 -57.396 1.00 0.00 C ATOM 1219 C SER A 98 4.608 -9.586 -58.118 1.00 0.00 C ATOM 1220 O SER A 98 5.593 -9.837 -58.816 1.00 0.00 O ATOM 1221 CB SER A 98 5.662 -8.025 -56.464 1.00 0.00 C ATOM 1222 OG SER A 98 5.458 -6.861 -55.674 1.00 0.00 O ATOM 0 H SER A 98 3.330 -8.323 -55.640 1.00 0.00 H new ATOM 0 HA SER A 98 4.462 -7.459 -58.141 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.797 -8.892 -55.817 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.575 -7.919 -57.049 1.00 0.00 H new ATOM 0 HG SER A 98 4.739 -7.025 -55.029 1.00 0.00 H new ATOM 1228 N CYS A 99 3.618 -10.440 -57.934 1.00 0.00 N ATOM 1229 CA CYS A 99 3.572 -11.704 -58.609 1.00 0.00 C ATOM 1230 C CYS A 99 3.296 -11.459 -60.084 1.00 0.00 C ATOM 1231 O CYS A 99 2.370 -10.722 -60.436 1.00 0.00 O ATOM 1232 CB CYS A 99 2.475 -12.571 -58.016 1.00 0.00 C ATOM 1233 SG CYS A 99 2.804 -14.334 -58.103 1.00 0.00 S ATOM 0 H CYS A 99 2.829 -10.268 -57.311 1.00 0.00 H new ATOM 0 HA CYS A 99 4.525 -12.220 -58.490 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.330 -12.291 -56.973 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.540 -12.361 -58.536 1.00 0.00 H new ATOM 0 HG CYS A 99 1.814 -14.987 -57.571 1.00 0.00 H new ATOM 1238 N SER A 100 4.083 -12.070 -60.939 1.00 0.00 N ATOM 1239 CA SER A 100 3.961 -11.863 -62.376 1.00 0.00 C ATOM 1240 C SER A 100 2.764 -12.609 -62.976 1.00 0.00 C ATOM 1241 O SER A 100 2.517 -12.541 -64.179 1.00 0.00 O ATOM 1242 CB SER A 100 5.248 -12.285 -63.055 1.00 0.00 C ATOM 1243 OG SER A 100 6.352 -11.555 -62.532 1.00 0.00 O ATOM 0 H SER A 100 4.821 -12.720 -60.669 1.00 0.00 H new ATOM 0 HA SER A 100 3.783 -10.801 -62.548 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.409 -13.353 -62.909 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.171 -12.118 -64.129 1.00 0.00 H new ATOM 0 HG SER A 100 7.175 -11.841 -62.980 1.00 0.00 H new ATOM 1249 N CYS A 101 2.033 -13.320 -62.142 1.00 0.00 N ATOM 1250 CA CYS A 101 0.863 -14.048 -62.595 1.00 0.00 C ATOM 1251 C CYS A 101 -0.378 -13.176 -62.636 1.00 0.00 C ATOM 1252 O CYS A 101 -1.310 -13.452 -63.384 1.00 0.00 O ATOM 1253 CB CYS A 101 0.622 -15.249 -61.710 1.00 0.00 C ATOM 1254 SG CYS A 101 1.785 -16.568 -61.981 1.00 0.00 S ATOM 0 H CYS A 101 2.228 -13.410 -61.145 1.00 0.00 H new ATOM 0 HA CYS A 101 1.063 -14.378 -63.614 1.00 0.00 H new ATOM 0 HB2 CYS A 101 0.672 -14.938 -60.666 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -0.387 -15.623 -61.883 1.00 0.00 H new ATOM 0 HG CYS A 101 1.512 -17.558 -61.184 1.00 0.00 H new ATOM 1259 N LYS A 102 -0.391 -12.122 -61.846 1.00 0.00 N ATOM 1260 CA LYS A 102 -1.562 -11.262 -61.785 1.00 0.00 C ATOM 1261 C LYS A 102 -1.794 -10.572 -63.127 1.00 0.00 C ATOM 1262 O LYS A 102 -1.002 -9.643 -63.458 1.00 0.00 O ATOM 1263 CB LYS A 102 -1.423 -10.220 -60.682 1.00 0.00 C ATOM 1264 CG LYS A 102 -0.995 -10.774 -59.329 1.00 0.00 C ATOM 1265 CD LYS A 102 -1.843 -11.966 -58.877 1.00 0.00 C ATOM 1266 CE LYS A 102 -1.537 -12.298 -57.418 1.00 0.00 C ATOM 1267 NZ LYS A 102 -2.142 -11.307 -56.480 1.00 0.00 N ATOM 0 H LYS A 102 0.383 -11.840 -61.244 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.422 -11.891 -61.557 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.697 -9.471 -60.998 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.378 -9.708 -60.563 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.051 -11.078 -59.381 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.061 -9.984 -58.581 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.902 -11.735 -58.992 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.635 -12.831 -59.507 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.914 -13.294 -57.186 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.457 -12.324 -57.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.495 -11.144 -55.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.307 -10.411 -56.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.046 -11.675 -56.122 1.00 0.00 H new