USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 CYS SG : rot -172:sc= 0.164 USER MOD Set 1.2: A 76 CYS SG : rot -170:sc= 0.0613 USER MOD Set 1.3: A 87 CYS SG : rot 33:sc= 0.506 USER MOD Set 1.4: A 93 CYS SG : rot 130:sc= 0.812 USER MOD Set 1.5: A 102 LYS NZ :NH3+ 168:sc= 1.42 (180deg=0.461) USER MOD Set 2.1: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 83 CYS SG : rot 170:sc= 0.531 USER MOD Set 3.2: A 99 CYS SG : rot 180:sc= -0.257 USER MOD Set 4.1: A 52 CYS SG : rot 120:sc= -0.937 USER MOD Set 4.2: A 67 CYS SG : rot 24:sc= -0.101 USER MOD Set 5.1: A 47 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 54 CYS SG : rot -175:sc= -5.13 USER MOD Set 5.3: A 61 CYS SG : rot 180:sc= -0.229 USER MOD Set 6.1: A 15 CYS SG : rot -39:sc= 0.00325 USER MOD Set 6.2: A 20 CYS SG : rot -170:sc= -0.0399 USER MOD Set 6.3: A 22 CYS SG : rot 180:sc= 0 USER MOD Set 6.4: A 28 CYS SG : rot 180:sc= 0 USER MOD Set 6.5: A 32 CYS SG : rot 180:sc= -1.38 USER MOD Set 6.6: A 37 CYS SG : rot 180:sc= -0.817 USER MOD Set 7.1: A 12 THR OG1 : rot 180:sc= -0.0383 USER MOD Set 7.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 18 THR OG1 : rot 45:sc= 0.00942 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.65 K(o=-1.7,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 110:sc= 0.0346 USER MOD Single : A 35 GLN : amide:sc= -0.0213 X(o=-0.021,f=-0.52) USER MOD Single : A 36 SER OG : rot 140:sc= -0.456 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.22 X(o=-1.2,f=-1) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0532 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 -176:sc= -1.64! USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 62 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.0059 USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= 0.136 (180deg=-0.567) USER MOD Single : A 68 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.072) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 124:sc= 1.25 USER MOD Single : A 72 THR OG1 : rot -83:sc= -0.72! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.407 USER MOD Single : A 82 LYS NZ :NH3+ 172:sc=-0.00806 (180deg=-0.0726) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.161) USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.0148 (180deg=-0.198) USER MOD Single : A 95 CYS SG : rot 160:sc= -0.098 USER MOD Single : A 98 SER OG : rot -35:sc= 0.92 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 1.617 -12.331 -22.673 1.00 0.00 N ATOM 94 CA GLY A 8 0.269 -12.687 -22.314 1.00 0.00 C ATOM 95 C GLY A 8 -0.705 -11.567 -22.584 1.00 0.00 C ATOM 96 O GLY A 8 -1.206 -11.437 -23.689 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.033 -13.572 -22.874 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.233 -12.951 -21.257 1.00 0.00 H new ATOM 100 N ALA A 9 -0.951 -10.743 -21.582 1.00 0.00 N ATOM 101 CA ALA A 9 -1.892 -9.641 -21.714 1.00 0.00 C ATOM 102 C ALA A 9 -1.204 -8.386 -22.224 1.00 0.00 C ATOM 103 O ALA A 9 -1.453 -7.951 -23.346 1.00 0.00 O ATOM 104 CB ALA A 9 -2.583 -9.370 -20.385 1.00 0.00 C ATOM 0 H ALA A 9 -0.512 -10.815 -20.664 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.645 -9.929 -22.447 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.283 -8.543 -20.501 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.124 -10.262 -20.068 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.837 -9.111 -19.633 1.00 0.00 H new ATOM 110 N GLY A 10 -0.338 -7.808 -21.386 1.00 0.00 N ATOM 111 CA GLY A 10 0.371 -6.585 -21.730 1.00 0.00 C ATOM 112 C GLY A 10 -0.560 -5.496 -22.201 1.00 0.00 C ATOM 113 O GLY A 10 -0.174 -4.647 -22.991 1.00 0.00 O ATOM 0 H GLY A 10 -0.114 -8.175 -20.461 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.927 -6.234 -20.861 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.101 -6.798 -22.511 1.00 0.00 H new ATOM 117 N CYS A 11 -1.790 -5.522 -21.711 1.00 0.00 N ATOM 118 CA CYS A 11 -2.795 -4.589 -22.158 1.00 0.00 C ATOM 119 C CYS A 11 -2.484 -3.156 -21.723 1.00 0.00 C ATOM 120 O CYS A 11 -1.690 -2.926 -20.804 1.00 0.00 O ATOM 121 CB CYS A 11 -4.186 -5.017 -21.703 1.00 0.00 C ATOM 122 SG CYS A 11 -5.429 -4.956 -23.021 1.00 0.00 S ATOM 0 H CYS A 11 -2.110 -6.183 -21.003 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.780 -4.600 -23.248 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.135 -6.032 -21.310 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.505 -4.374 -20.883 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.579 -5.337 -22.550 1.00 0.00 H new ATOM 127 N THR A 12 -3.123 -2.203 -22.381 1.00 0.00 N ATOM 128 CA THR A 12 -2.875 -0.796 -22.143 1.00 0.00 C ATOM 129 C THR A 12 -4.182 -0.036 -21.911 1.00 0.00 C ATOM 130 O THR A 12 -5.254 -0.468 -22.349 1.00 0.00 O ATOM 131 CB THR A 12 -2.110 -0.176 -23.343 1.00 0.00 C ATOM 132 OG1 THR A 12 -1.956 1.239 -23.174 1.00 0.00 O ATOM 133 CG2 THR A 12 -2.835 -0.463 -24.657 1.00 0.00 C ATOM 0 H THR A 12 -3.828 -2.386 -23.095 1.00 0.00 H new ATOM 0 HA THR A 12 -2.265 -0.710 -21.244 1.00 0.00 H new ATOM 0 HB THR A 12 -1.122 -0.635 -23.379 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.470 1.609 -23.940 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.280 -0.019 -25.483 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.906 -1.540 -24.805 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.837 -0.035 -24.621 1.00 0.00 H new ATOM 141 N ASP A 13 -4.080 1.098 -21.228 1.00 0.00 N ATOM 142 CA ASP A 13 -5.234 1.943 -20.931 1.00 0.00 C ATOM 143 C ASP A 13 -5.853 2.517 -22.198 1.00 0.00 C ATOM 144 O ASP A 13 -7.050 2.794 -22.242 1.00 0.00 O ATOM 145 CB ASP A 13 -4.846 3.074 -19.983 1.00 0.00 C ATOM 146 CG ASP A 13 -4.726 2.614 -18.549 1.00 0.00 C ATOM 147 OD1 ASP A 13 -5.763 2.550 -17.855 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.598 2.319 -18.103 1.00 0.00 O ATOM 0 H ASP A 13 -3.198 1.458 -20.864 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.979 1.312 -20.447 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.897 3.503 -20.304 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.591 3.867 -20.045 1.00 0.00 H new ATOM 153 N THR A 14 -5.045 2.677 -23.232 1.00 0.00 N ATOM 154 CA THR A 14 -5.526 3.203 -24.504 1.00 0.00 C ATOM 155 C THR A 14 -6.524 2.234 -25.152 1.00 0.00 C ATOM 156 O THR A 14 -7.307 2.607 -26.031 1.00 0.00 O ATOM 157 CB THR A 14 -4.354 3.441 -25.470 1.00 0.00 C ATOM 158 OG1 THR A 14 -3.304 4.141 -24.787 1.00 0.00 O ATOM 159 CG2 THR A 14 -4.810 4.253 -26.671 1.00 0.00 C ATOM 0 H THR A 14 -4.051 2.451 -23.218 1.00 0.00 H new ATOM 0 HA THR A 14 -6.026 4.150 -24.302 1.00 0.00 H new ATOM 0 HB THR A 14 -3.986 2.476 -25.819 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.556 4.291 -25.403 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.967 4.412 -27.344 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.598 3.714 -27.197 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.192 5.217 -26.335 1.00 0.00 H new ATOM 167 N CYS A 15 -6.507 1.007 -24.693 1.00 0.00 N ATOM 168 CA CYS A 15 -7.369 -0.016 -25.226 1.00 0.00 C ATOM 169 C CYS A 15 -8.718 -0.015 -24.508 1.00 0.00 C ATOM 170 O CYS A 15 -9.649 -0.709 -24.902 1.00 0.00 O ATOM 171 CB CYS A 15 -6.695 -1.365 -25.073 1.00 0.00 C ATOM 172 SG CYS A 15 -7.427 -2.658 -26.066 1.00 0.00 S ATOM 0 H CYS A 15 -5.896 0.691 -23.940 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.549 0.185 -26.282 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.643 -1.267 -25.340 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.731 -1.661 -24.025 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.720 -2.523 -26.070 1.00 0.00 H new ATOM 177 N LYS A 16 -8.819 0.792 -23.463 1.00 0.00 N ATOM 178 CA LYS A 16 -10.042 0.873 -22.667 1.00 0.00 C ATOM 179 C LYS A 16 -11.015 1.863 -23.282 1.00 0.00 C ATOM 180 O LYS A 16 -12.083 2.127 -22.732 1.00 0.00 O ATOM 181 CB LYS A 16 -9.707 1.326 -21.243 1.00 0.00 C ATOM 182 CG LYS A 16 -8.563 0.559 -20.609 1.00 0.00 C ATOM 183 CD LYS A 16 -8.911 -0.894 -20.401 1.00 0.00 C ATOM 184 CE LYS A 16 -9.970 -1.073 -19.321 1.00 0.00 C ATOM 185 NZ LYS A 16 -10.307 -2.501 -19.113 1.00 0.00 N ATOM 0 H LYS A 16 -8.068 1.403 -23.143 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.501 -0.115 -22.645 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.456 2.387 -21.259 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.594 1.218 -20.619 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.679 0.634 -21.243 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.308 1.013 -19.651 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.272 -1.319 -21.338 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.013 -1.447 -20.125 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.611 -0.644 -18.385 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.870 -0.524 -19.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.031 -2.582 -18.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.673 -2.904 -19.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.454 -3.020 -18.823 1.00 0.00 H new ATOM 199 N GLN A 17 -10.646 2.407 -24.423 1.00 0.00 N ATOM 200 CA GLN A 17 -11.451 3.421 -25.055 1.00 0.00 C ATOM 201 C GLN A 17 -12.477 2.792 -25.970 1.00 0.00 C ATOM 202 O GLN A 17 -12.277 1.686 -26.481 1.00 0.00 O ATOM 203 CB GLN A 17 -10.583 4.398 -25.845 1.00 0.00 C ATOM 204 CG GLN A 17 -9.333 4.880 -25.119 1.00 0.00 C ATOM 205 CD GLN A 17 -9.573 5.350 -23.685 1.00 0.00 C ATOM 206 OE1 GLN A 17 -9.943 6.501 -23.450 1.00 0.00 O ATOM 207 NE2 GLN A 17 -9.292 4.492 -22.737 1.00 0.00 N ATOM 0 H GLN A 17 -9.794 2.162 -24.928 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.966 3.973 -24.269 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.282 3.921 -26.778 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.188 5.265 -26.111 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.602 4.071 -25.105 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.892 5.699 -25.687 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.989 3.548 -22.977 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.376 4.767 -21.759 1.00 0.00 H new ATOM 216 N THR A 18 -13.561 3.496 -26.171 1.00 0.00 N ATOM 217 CA THR A 18 -14.633 3.036 -27.031 1.00 0.00 C ATOM 218 C THR A 18 -15.170 4.179 -27.893 1.00 0.00 C ATOM 219 O THR A 18 -15.737 5.144 -27.375 1.00 0.00 O ATOM 220 CB THR A 18 -15.786 2.416 -26.214 1.00 0.00 C ATOM 221 OG1 THR A 18 -16.025 3.197 -25.032 1.00 0.00 O ATOM 222 CG2 THR A 18 -15.470 0.982 -25.825 1.00 0.00 C ATOM 0 H THR A 18 -13.730 4.407 -25.744 1.00 0.00 H new ATOM 0 HA THR A 18 -14.216 2.266 -27.680 1.00 0.00 H new ATOM 0 HB THR A 18 -16.680 2.414 -26.837 1.00 0.00 H new ATOM 0 HG1 THR A 18 -16.035 4.149 -25.265 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.299 0.570 -25.250 1.00 0.00 H new ATOM 0 HG22 THR A 18 -15.320 0.385 -26.725 1.00 0.00 H new ATOM 0 HG23 THR A 18 -14.563 0.960 -25.220 1.00 0.00 H new ATOM 230 N PRO A 19 -14.980 4.100 -29.225 1.00 0.00 N ATOM 231 CA PRO A 19 -14.242 2.981 -29.885 1.00 0.00 C ATOM 232 C PRO A 19 -12.728 2.934 -29.525 1.00 0.00 C ATOM 233 O PRO A 19 -12.175 3.912 -29.010 1.00 0.00 O ATOM 234 CB PRO A 19 -14.422 3.278 -31.376 1.00 0.00 C ATOM 235 CG PRO A 19 -14.721 4.744 -31.448 1.00 0.00 C ATOM 236 CD PRO A 19 -15.512 5.074 -30.213 1.00 0.00 C ATOM 0 HA PRO A 19 -14.625 2.012 -29.565 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.522 3.031 -31.939 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.235 2.688 -31.800 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.801 5.327 -31.488 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.288 4.982 -32.348 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.355 6.104 -29.893 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.583 4.949 -30.371 1.00 0.00 H new ATOM 244 N CYS A 20 -12.078 1.778 -29.812 1.00 0.00 N ATOM 245 CA CYS A 20 -10.640 1.560 -29.511 1.00 0.00 C ATOM 246 C CYS A 20 -9.762 2.701 -30.016 1.00 0.00 C ATOM 247 O CYS A 20 -10.012 3.266 -31.081 1.00 0.00 O ATOM 248 CB CYS A 20 -10.146 0.239 -30.130 1.00 0.00 C ATOM 249 SG CYS A 20 -10.180 -1.197 -29.025 1.00 0.00 S ATOM 0 H CYS A 20 -12.530 0.978 -30.254 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.556 1.517 -28.425 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -10.756 0.017 -31.006 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.124 0.382 -30.481 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.553 -2.189 -29.584 1.00 0.00 H new ATOM 254 N GLY A 21 -8.724 3.022 -29.249 1.00 0.00 N ATOM 255 CA GLY A 21 -7.818 4.080 -29.638 1.00 0.00 C ATOM 256 C GLY A 21 -6.398 3.585 -29.858 1.00 0.00 C ATOM 257 O GLY A 21 -5.471 4.386 -29.977 1.00 0.00 O ATOM 0 H GLY A 21 -8.497 2.566 -28.365 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.182 4.546 -30.554 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.814 4.851 -28.868 1.00 0.00 H new ATOM 261 N CYS A 22 -6.224 2.264 -29.907 1.00 0.00 N ATOM 262 CA CYS A 22 -4.896 1.663 -30.116 1.00 0.00 C ATOM 263 C CYS A 22 -4.255 2.143 -31.413 1.00 0.00 C ATOM 264 O CYS A 22 -3.120 2.625 -31.417 1.00 0.00 O ATOM 265 CB CYS A 22 -4.979 0.139 -30.141 1.00 0.00 C ATOM 266 SG CYS A 22 -5.391 -0.619 -28.564 1.00 0.00 S ATOM 0 H CYS A 22 -6.980 1.587 -29.806 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.277 1.981 -29.277 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.726 -0.158 -30.877 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.022 -0.258 -30.480 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.436 -1.911 -28.702 1.00 0.00 H new ATOM 271 N GLY A 23 -4.983 2.011 -32.506 1.00 0.00 N ATOM 272 CA GLY A 23 -4.449 2.392 -33.788 1.00 0.00 C ATOM 273 C GLY A 23 -3.392 1.421 -34.253 1.00 0.00 C ATOM 274 O GLY A 23 -3.518 0.213 -34.049 1.00 0.00 O ATOM 0 H GLY A 23 -5.935 1.646 -32.527 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.254 2.435 -34.521 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.023 3.393 -33.724 1.00 0.00 H new ATOM 278 N SER A 24 -2.339 1.937 -34.844 1.00 0.00 N ATOM 279 CA SER A 24 -1.263 1.103 -35.342 1.00 0.00 C ATOM 280 C SER A 24 -0.156 0.948 -34.297 1.00 0.00 C ATOM 281 O SER A 24 0.932 0.456 -34.601 1.00 0.00 O ATOM 282 CB SER A 24 -0.697 1.710 -36.623 1.00 0.00 C ATOM 283 OG SER A 24 -1.726 1.922 -37.578 1.00 0.00 O ATOM 0 H SER A 24 -2.202 2.937 -34.994 1.00 0.00 H new ATOM 0 HA SER A 24 -1.663 0.112 -35.555 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.205 2.656 -36.396 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.062 1.048 -37.040 1.00 0.00 H new ATOM 0 HG SER A 24 -1.343 2.313 -38.391 1.00 0.00 H new ATOM 289 N GLY A 25 -0.442 1.355 -33.066 1.00 0.00 N ATOM 290 CA GLY A 25 0.551 1.273 -32.017 1.00 0.00 C ATOM 291 C GLY A 25 0.079 0.466 -30.825 1.00 0.00 C ATOM 292 O GLY A 25 -0.032 0.991 -29.718 1.00 0.00 O ATOM 0 H GLY A 25 -1.342 1.739 -32.778 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.460 0.824 -32.417 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.811 2.280 -31.689 1.00 0.00 H new ATOM 296 N CYS A 26 -0.209 -0.807 -31.048 1.00 0.00 N ATOM 297 CA CYS A 26 -0.640 -1.690 -29.980 1.00 0.00 C ATOM 298 C CYS A 26 0.387 -1.835 -28.893 1.00 0.00 C ATOM 299 O CYS A 26 1.557 -2.109 -29.150 1.00 0.00 O ATOM 300 CB CYS A 26 -0.967 -3.069 -30.511 1.00 0.00 C ATOM 301 SG CYS A 26 -2.629 -3.228 -31.116 1.00 0.00 S ATOM 0 H CYS A 26 -0.151 -1.252 -31.964 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.530 -1.225 -29.557 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.273 -3.313 -31.315 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.807 -3.801 -29.719 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.818 -4.438 -31.552 1.00 0.00 H new ATOM 306 N ASN A 27 -0.050 -1.634 -27.680 1.00 0.00 N ATOM 307 CA ASN A 27 0.778 -1.897 -26.538 1.00 0.00 C ATOM 308 C ASN A 27 0.364 -3.232 -25.955 1.00 0.00 C ATOM 309 O ASN A 27 1.159 -3.916 -25.316 1.00 0.00 O ATOM 310 CB ASN A 27 0.665 -0.790 -25.480 1.00 0.00 C ATOM 311 CG ASN A 27 1.426 0.487 -25.840 1.00 0.00 C ATOM 312 OD1 ASN A 27 1.957 1.167 -24.961 1.00 0.00 O ATOM 313 ND2 ASN A 27 1.470 0.831 -27.115 1.00 0.00 N ATOM 0 H ASN A 27 -0.983 -1.286 -27.457 1.00 0.00 H new ATOM 0 HA ASN A 27 1.821 -1.923 -26.852 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.387 -0.546 -25.334 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.039 -1.169 -24.529 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.955 1.683 -27.397 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.019 0.244 -27.817 1.00 0.00 H new ATOM 320 N CYS A 28 -0.888 -3.623 -26.237 1.00 0.00 N ATOM 321 CA CYS A 28 -1.439 -4.871 -25.742 1.00 0.00 C ATOM 322 C CYS A 28 -0.941 -6.038 -26.573 1.00 0.00 C ATOM 323 O CYS A 28 -0.431 -5.851 -27.686 1.00 0.00 O ATOM 324 CB CYS A 28 -2.988 -4.833 -25.747 1.00 0.00 C ATOM 325 SG CYS A 28 -3.767 -4.716 -27.392 1.00 0.00 S ATOM 0 H CYS A 28 -1.534 -3.081 -26.811 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.103 -5.004 -24.714 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.357 -5.732 -25.253 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.315 -3.983 -25.148 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.060 -4.695 -27.259 1.00 0.00 H new ATOM 330 N LYS A 29 -1.057 -7.231 -26.032 1.00 0.00 N ATOM 331 CA LYS A 29 -0.667 -8.424 -26.750 1.00 0.00 C ATOM 332 C LYS A 29 -1.870 -8.974 -27.504 1.00 0.00 C ATOM 333 O LYS A 29 -2.999 -8.523 -27.291 1.00 0.00 O ATOM 334 CB LYS A 29 -0.091 -9.476 -25.793 1.00 0.00 C ATOM 335 CG LYS A 29 1.068 -8.971 -24.934 1.00 0.00 C ATOM 336 CD LYS A 29 2.224 -8.476 -25.794 1.00 0.00 C ATOM 337 CE LYS A 29 3.271 -7.803 -24.962 1.00 0.00 C ATOM 338 NZ LYS A 29 4.400 -7.312 -25.791 1.00 0.00 N ATOM 0 H LYS A 29 -1.420 -7.401 -25.094 1.00 0.00 H new ATOM 0 HA LYS A 29 0.116 -8.170 -27.465 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.887 -9.830 -25.138 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.248 -10.333 -26.374 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.720 -8.163 -24.290 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.415 -9.772 -24.282 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.667 -9.315 -26.330 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.850 -7.780 -26.545 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.825 -6.967 -24.423 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.646 -8.502 -24.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.105 -6.852 -25.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.841 -8.113 -26.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.046 -6.626 -26.488 1.00 0.00 H new ATOM 352 N GLU A 30 -1.645 -9.955 -28.358 1.00 0.00 N ATOM 353 CA GLU A 30 -2.729 -10.484 -29.199 1.00 0.00 C ATOM 354 C GLU A 30 -3.716 -11.346 -28.405 1.00 0.00 C ATOM 355 O GLU A 30 -4.783 -11.709 -28.911 1.00 0.00 O ATOM 356 CB GLU A 30 -2.176 -11.250 -30.408 1.00 0.00 C ATOM 357 CG GLU A 30 -1.419 -12.512 -30.059 1.00 0.00 C ATOM 358 CD GLU A 30 -0.702 -13.098 -31.248 1.00 0.00 C ATOM 359 OE1 GLU A 30 0.455 -12.695 -31.497 1.00 0.00 O ATOM 360 OE2 GLU A 30 -1.270 -13.974 -31.925 1.00 0.00 O ATOM 0 H GLU A 30 -0.739 -10.403 -28.495 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.285 -9.623 -29.570 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.004 -11.509 -31.068 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.516 -10.589 -30.970 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.696 -12.293 -29.273 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.113 -13.250 -29.657 1.00 0.00 H new ATOM 367 N ASP A 31 -3.370 -11.652 -27.154 1.00 0.00 N ATOM 368 CA ASP A 31 -4.253 -12.433 -26.279 1.00 0.00 C ATOM 369 C ASP A 31 -5.540 -11.670 -25.997 1.00 0.00 C ATOM 370 O ASP A 31 -6.551 -12.255 -25.612 1.00 0.00 O ATOM 371 CB ASP A 31 -3.553 -12.779 -24.963 1.00 0.00 C ATOM 372 CG ASP A 31 -4.426 -13.593 -24.024 1.00 0.00 C ATOM 373 OD1 ASP A 31 -4.565 -14.818 -24.240 1.00 0.00 O ATOM 374 OD2 ASP A 31 -4.969 -13.017 -23.055 1.00 0.00 O ATOM 0 H ASP A 31 -2.489 -11.373 -26.723 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.499 -13.361 -26.796 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.642 -13.337 -25.178 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.253 -11.858 -24.464 1.00 0.00 H new ATOM 379 N CYS A 32 -5.492 -10.356 -26.206 1.00 0.00 N ATOM 380 CA CYS A 32 -6.649 -9.495 -26.019 1.00 0.00 C ATOM 381 C CYS A 32 -7.821 -9.981 -26.881 1.00 0.00 C ATOM 382 O CYS A 32 -8.989 -9.873 -26.480 1.00 0.00 O ATOM 383 CB CYS A 32 -6.281 -8.041 -26.372 1.00 0.00 C ATOM 384 SG CYS A 32 -7.629 -6.839 -26.192 1.00 0.00 S ATOM 0 H CYS A 32 -4.652 -9.863 -26.509 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.956 -9.535 -24.974 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.450 -7.729 -25.739 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.925 -8.013 -27.402 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.200 -5.655 -26.514 1.00 0.00 H new ATOM 389 N ARG A 33 -7.493 -10.541 -28.064 1.00 0.00 N ATOM 390 CA ARG A 33 -8.498 -11.063 -29.002 1.00 0.00 C ATOM 391 C ARG A 33 -9.530 -9.983 -29.349 1.00 0.00 C ATOM 392 O ARG A 33 -10.693 -10.287 -29.621 1.00 0.00 O ATOM 393 CB ARG A 33 -9.207 -12.306 -28.411 1.00 0.00 C ATOM 394 CG ARG A 33 -8.278 -13.484 -28.091 1.00 0.00 C ATOM 395 CD ARG A 33 -7.876 -14.264 -29.343 1.00 0.00 C ATOM 396 NE ARG A 33 -6.828 -15.251 -29.058 1.00 0.00 N ATOM 397 CZ ARG A 33 -6.305 -16.081 -29.964 1.00 0.00 C ATOM 398 NH1 ARG A 33 -6.726 -16.053 -31.221 1.00 0.00 N ATOM 399 NH2 ARG A 33 -5.354 -16.933 -29.606 1.00 0.00 N ATOM 0 H ARG A 33 -6.532 -10.642 -28.390 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.983 -11.358 -29.916 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.725 -12.012 -27.498 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.968 -12.642 -29.115 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.382 -13.112 -27.594 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.775 -14.156 -27.391 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.750 -14.770 -29.752 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.524 -13.570 -30.106 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.475 -15.307 -28.103 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.453 -15.395 -31.501 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.322 -16.690 -31.908 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.024 -16.953 -28.641 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.952 -17.568 -30.296 1.00 0.00 H new ATOM 413 N CYS A 34 -9.094 -8.725 -29.347 1.00 0.00 N ATOM 414 CA CYS A 34 -9.979 -7.619 -29.646 1.00 0.00 C ATOM 415 C CYS A 34 -10.165 -7.506 -31.140 1.00 0.00 C ATOM 416 O CYS A 34 -9.204 -7.350 -31.885 1.00 0.00 O ATOM 417 CB CYS A 34 -9.438 -6.308 -29.071 1.00 0.00 C ATOM 418 SG CYS A 34 -10.527 -5.523 -27.851 1.00 0.00 S ATOM 0 H CYS A 34 -8.133 -8.454 -29.141 1.00 0.00 H new ATOM 0 HA CYS A 34 -10.945 -7.811 -29.179 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.471 -6.500 -28.607 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -9.266 -5.609 -29.890 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.989 -5.608 -26.671 1.00 0.00 H new ATOM 423 N GLN A 35 -11.401 -7.578 -31.569 1.00 0.00 N ATOM 424 CA GLN A 35 -11.732 -7.562 -32.981 1.00 0.00 C ATOM 425 C GLN A 35 -11.524 -6.179 -33.593 1.00 0.00 C ATOM 426 O GLN A 35 -11.443 -6.033 -34.813 1.00 0.00 O ATOM 427 CB GLN A 35 -13.171 -8.043 -33.168 1.00 0.00 C ATOM 428 CG GLN A 35 -13.415 -9.405 -32.528 1.00 0.00 C ATOM 429 CD GLN A 35 -12.608 -10.496 -33.192 1.00 0.00 C ATOM 430 OE1 GLN A 35 -12.413 -10.482 -34.407 1.00 0.00 O ATOM 431 NE2 GLN A 35 -12.070 -11.409 -32.410 1.00 0.00 N ATOM 0 H GLN A 35 -12.210 -7.650 -30.952 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.059 -8.239 -33.507 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.855 -7.313 -32.735 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.397 -8.099 -34.233 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.160 -9.359 -31.469 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.475 -9.650 -32.590 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.252 -11.392 -31.406 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.471 -12.133 -32.808 1.00 0.00 H new ATOM 440 N SER A 36 -11.421 -5.172 -32.743 1.00 0.00 N ATOM 441 CA SER A 36 -11.208 -3.815 -33.198 1.00 0.00 C ATOM 442 C SER A 36 -9.748 -3.600 -33.621 1.00 0.00 C ATOM 443 O SER A 36 -9.480 -3.015 -34.665 1.00 0.00 O ATOM 444 CB SER A 36 -11.603 -2.819 -32.100 1.00 0.00 C ATOM 445 OG SER A 36 -11.611 -1.487 -32.587 1.00 0.00 O ATOM 0 H SER A 36 -11.482 -5.273 -31.730 1.00 0.00 H new ATOM 0 HA SER A 36 -11.839 -3.643 -34.070 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.591 -3.073 -31.715 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.905 -2.899 -31.266 1.00 0.00 H new ATOM 0 HG SER A 36 -12.379 -1.007 -32.213 1.00 0.00 H new ATOM 451 N CYS A 37 -8.809 -4.099 -32.823 1.00 0.00 N ATOM 452 CA CYS A 37 -7.387 -3.922 -33.118 1.00 0.00 C ATOM 453 C CYS A 37 -6.745 -5.224 -33.599 1.00 0.00 C ATOM 454 O CYS A 37 -5.529 -5.384 -33.538 1.00 0.00 O ATOM 455 CB CYS A 37 -6.647 -3.370 -31.880 1.00 0.00 C ATOM 456 SG CYS A 37 -6.998 -4.260 -30.338 1.00 0.00 S ATOM 0 H CYS A 37 -9.003 -4.626 -31.972 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.301 -3.198 -33.929 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.574 -3.404 -32.068 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.915 -2.322 -31.749 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.328 -3.721 -29.363 1.00 0.00 H new ATOM 461 N LYS A 38 -7.563 -6.144 -34.105 1.00 0.00 N ATOM 462 CA LYS A 38 -7.068 -7.423 -34.588 1.00 0.00 C ATOM 463 C LYS A 38 -6.451 -7.291 -35.991 1.00 0.00 C ATOM 464 O LYS A 38 -5.909 -8.255 -36.533 1.00 0.00 O ATOM 465 CB LYS A 38 -8.203 -8.437 -34.620 1.00 0.00 C ATOM 466 CG LYS A 38 -7.752 -9.874 -34.455 1.00 0.00 C ATOM 467 CD LYS A 38 -8.448 -10.779 -35.442 1.00 0.00 C ATOM 468 CE LYS A 38 -8.274 -12.220 -35.082 1.00 0.00 C ATOM 469 NZ LYS A 38 -8.920 -13.115 -36.078 1.00 0.00 N ATOM 0 H LYS A 38 -8.572 -6.024 -34.190 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.290 -7.763 -33.905 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.913 -8.197 -33.829 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.736 -8.341 -35.566 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.673 -9.938 -34.596 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.961 -10.210 -33.439 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.510 -10.536 -35.473 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.051 -10.602 -36.442 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.211 -12.454 -35.017 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.701 -12.403 -34.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.779 -14.106 -35.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.938 -12.908 -36.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.495 -12.957 -37.014 1.00 0.00 H new ATOM 528 N CYS A 43 -5.873 -1.489 -41.856 1.00 0.00 N ATOM 529 CA CYS A 43 -6.660 -1.610 -43.065 1.00 0.00 C ATOM 530 C CYS A 43 -7.934 -0.800 -42.973 1.00 0.00 C ATOM 531 O CYS A 43 -8.417 -0.502 -41.879 1.00 0.00 O ATOM 532 CB CYS A 43 -6.979 -3.068 -43.370 1.00 0.00 C ATOM 533 SG CYS A 43 -5.659 -3.937 -44.227 1.00 0.00 S ATOM 0 HA CYS A 43 -6.062 -1.212 -43.884 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -7.195 -3.586 -42.436 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.884 -3.113 -43.976 1.00 0.00 H new ATOM 0 HG CYS A 43 -6.018 -5.168 -44.442 1.00 0.00 H new ATOM 538 N THR A 44 -8.470 -0.448 -44.120 1.00 0.00 N ATOM 539 CA THR A 44 -9.672 0.336 -44.199 1.00 0.00 C ATOM 540 C THR A 44 -10.907 -0.556 -44.071 1.00 0.00 C ATOM 541 O THR A 44 -10.829 -1.774 -44.276 1.00 0.00 O ATOM 542 CB THR A 44 -9.714 1.102 -45.533 1.00 0.00 C ATOM 543 OG1 THR A 44 -9.488 0.188 -46.614 1.00 0.00 O ATOM 544 CG2 THR A 44 -8.647 2.191 -45.563 1.00 0.00 C ATOM 0 H THR A 44 -8.078 -0.701 -45.027 1.00 0.00 H new ATOM 0 HA THR A 44 -9.673 1.050 -43.375 1.00 0.00 H new ATOM 0 HB THR A 44 -10.694 1.568 -45.636 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.516 0.674 -47.465 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.694 2.720 -46.515 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.821 2.894 -44.748 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.662 1.739 -45.448 1.00 0.00 H new ATOM 552 N ASP A 45 -12.045 0.046 -43.745 1.00 0.00 N ATOM 553 CA ASP A 45 -13.294 -0.706 -43.584 1.00 0.00 C ATOM 554 C ASP A 45 -13.782 -1.249 -44.917 1.00 0.00 C ATOM 555 O ASP A 45 -14.606 -2.159 -44.964 1.00 0.00 O ATOM 556 CB ASP A 45 -14.379 0.161 -42.936 1.00 0.00 C ATOM 557 CG ASP A 45 -14.043 0.534 -41.510 1.00 0.00 C ATOM 558 OD1 ASP A 45 -13.528 1.652 -41.286 1.00 0.00 O ATOM 559 OD2 ASP A 45 -14.265 -0.293 -40.605 1.00 0.00 O ATOM 0 H ASP A 45 -12.134 1.050 -43.586 1.00 0.00 H new ATOM 0 HA ASP A 45 -13.087 -1.549 -42.925 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.514 1.069 -43.524 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.328 -0.375 -42.955 1.00 0.00 H new ATOM 564 N VAL A 46 -13.259 -0.695 -45.998 1.00 0.00 N ATOM 565 CA VAL A 46 -13.616 -1.131 -47.338 1.00 0.00 C ATOM 566 C VAL A 46 -13.028 -2.516 -47.616 1.00 0.00 C ATOM 567 O VAL A 46 -13.600 -3.314 -48.368 1.00 0.00 O ATOM 568 CB VAL A 46 -13.121 -0.121 -48.403 1.00 0.00 C ATOM 569 CG1 VAL A 46 -13.572 -0.530 -49.792 1.00 0.00 C ATOM 570 CG2 VAL A 46 -13.619 1.275 -48.072 1.00 0.00 C ATOM 0 H VAL A 46 -12.579 0.065 -45.973 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.703 -1.185 -47.398 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.031 -0.118 -48.391 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.211 0.196 -50.520 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.169 -1.514 -50.030 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.661 -0.566 -49.825 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.265 1.976 -48.827 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.709 1.278 -48.056 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.241 1.574 -47.094 1.00 0.00 H new ATOM 580 N CYS A 47 -11.903 -2.801 -46.977 1.00 0.00 N ATOM 581 CA CYS A 47 -11.243 -4.090 -47.115 1.00 0.00 C ATOM 582 C CYS A 47 -11.963 -5.126 -46.266 1.00 0.00 C ATOM 583 O CYS A 47 -11.829 -6.331 -46.466 1.00 0.00 O ATOM 584 CB CYS A 47 -9.777 -3.975 -46.670 1.00 0.00 C ATOM 585 SG CYS A 47 -8.753 -5.413 -47.066 1.00 0.00 S ATOM 0 H CYS A 47 -11.425 -2.151 -46.353 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.273 -4.400 -48.160 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.338 -3.093 -47.137 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.750 -3.812 -45.593 1.00 0.00 H new ATOM 0 HG CYS A 47 -7.539 -5.209 -46.649 1.00 0.00 H new ATOM 590 N LYS A 48 -12.750 -4.639 -45.324 1.00 0.00 N ATOM 591 CA LYS A 48 -13.468 -5.496 -44.411 1.00 0.00 C ATOM 592 C LYS A 48 -14.870 -5.809 -44.939 1.00 0.00 C ATOM 593 O LYS A 48 -15.714 -6.335 -44.213 1.00 0.00 O ATOM 594 CB LYS A 48 -13.539 -4.828 -43.035 1.00 0.00 C ATOM 595 CG LYS A 48 -12.177 -4.360 -42.515 1.00 0.00 C ATOM 596 CD LYS A 48 -11.190 -5.516 -42.435 1.00 0.00 C ATOM 597 CE LYS A 48 -9.826 -5.084 -41.929 1.00 0.00 C ATOM 598 NZ LYS A 48 -8.877 -6.231 -41.880 1.00 0.00 N ATOM 0 H LYS A 48 -12.906 -3.642 -45.174 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.935 -6.442 -44.321 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.212 -3.973 -43.089 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.971 -5.529 -42.321 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.781 -3.585 -43.172 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.296 -3.912 -41.529 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.591 -6.286 -41.776 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.082 -5.966 -43.422 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.425 -4.305 -42.578 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.926 -4.650 -40.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.954 -5.903 -41.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.249 -6.963 -41.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.764 -6.629 -42.834 1.00 0.00 H new ATOM 612 N GLN A 49 -15.106 -5.489 -46.208 1.00 0.00 N ATOM 613 CA GLN A 49 -16.394 -5.752 -46.842 1.00 0.00 C ATOM 614 C GLN A 49 -16.471 -7.185 -47.353 1.00 0.00 C ATOM 615 O GLN A 49 -15.481 -7.917 -47.358 1.00 0.00 O ATOM 616 CB GLN A 49 -16.638 -4.805 -48.016 1.00 0.00 C ATOM 617 CG GLN A 49 -16.846 -3.357 -47.642 1.00 0.00 C ATOM 618 CD GLN A 49 -17.240 -2.515 -48.841 1.00 0.00 C ATOM 619 OE1 GLN A 49 -17.854 -3.005 -49.788 1.00 0.00 O ATOM 620 NE2 GLN A 49 -16.900 -1.247 -48.802 1.00 0.00 N ATOM 0 H GLN A 49 -14.420 -5.046 -46.819 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.158 -5.592 -46.081 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.789 -4.869 -48.696 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.514 -5.151 -48.565 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.621 -3.287 -46.878 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.930 -2.960 -47.204 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.391 -0.880 -47.998 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.145 -0.629 -49.576 1.00 0.00 H new ATOM 629 N THR A 50 -17.653 -7.574 -47.778 1.00 0.00 N ATOM 630 CA THR A 50 -17.886 -8.878 -48.352 1.00 0.00 C ATOM 631 C THR A 50 -19.062 -8.804 -49.341 1.00 0.00 C ATOM 632 O THR A 50 -20.217 -8.718 -48.930 1.00 0.00 O ATOM 633 CB THR A 50 -18.181 -9.929 -47.260 1.00 0.00 C ATOM 634 OG1 THR A 50 -17.089 -9.970 -46.325 1.00 0.00 O ATOM 635 CG2 THR A 50 -18.365 -11.307 -47.876 1.00 0.00 C ATOM 0 H THR A 50 -18.486 -6.987 -47.734 1.00 0.00 H new ATOM 0 HA THR A 50 -16.982 -9.186 -48.878 1.00 0.00 H new ATOM 0 HB THR A 50 -19.101 -9.647 -46.747 1.00 0.00 H new ATOM 0 HG1 THR A 50 -17.277 -10.636 -45.631 1.00 0.00 H new ATOM 0 HG21 THR A 50 -18.572 -12.033 -47.089 1.00 0.00 H new ATOM 0 HG22 THR A 50 -19.200 -11.284 -48.577 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.456 -11.594 -48.404 1.00 0.00 H new ATOM 643 N PRO A 51 -18.779 -8.807 -50.664 1.00 0.00 N ATOM 644 CA PRO A 51 -17.414 -8.901 -51.197 1.00 0.00 C ATOM 645 C PRO A 51 -16.606 -7.633 -50.953 1.00 0.00 C ATOM 646 O PRO A 51 -17.160 -6.532 -50.872 1.00 0.00 O ATOM 647 CB PRO A 51 -17.630 -9.107 -52.697 1.00 0.00 C ATOM 648 CG PRO A 51 -18.952 -8.484 -52.976 1.00 0.00 C ATOM 649 CD PRO A 51 -19.783 -8.698 -51.742 1.00 0.00 C ATOM 0 HA PRO A 51 -16.848 -9.699 -50.717 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -16.839 -8.635 -53.280 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -17.628 -10.166 -52.956 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -18.844 -7.421 -53.193 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.422 -8.941 -53.847 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -20.468 -7.867 -51.570 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -20.390 -9.600 -51.818 1.00 0.00 H new ATOM 657 N CYS A 52 -15.304 -7.802 -50.827 1.00 0.00 N ATOM 658 CA CYS A 52 -14.391 -6.699 -50.584 1.00 0.00 C ATOM 659 C CYS A 52 -14.498 -5.650 -51.688 1.00 0.00 C ATOM 660 O CYS A 52 -14.670 -5.992 -52.862 1.00 0.00 O ATOM 661 CB CYS A 52 -12.977 -7.229 -50.507 1.00 0.00 C ATOM 662 SG CYS A 52 -11.744 -5.975 -50.200 1.00 0.00 S ATOM 0 H CYS A 52 -14.847 -8.711 -50.890 1.00 0.00 H new ATOM 0 HA CYS A 52 -14.657 -6.223 -49.640 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -12.923 -7.977 -49.716 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.739 -7.736 -51.442 1.00 0.00 H new ATOM 0 HG CYS A 52 -11.119 -6.243 -49.092 1.00 0.00 H new ATOM 667 N GLY A 53 -14.383 -4.379 -51.321 1.00 0.00 N ATOM 668 CA GLY A 53 -14.540 -3.326 -52.299 1.00 0.00 C ATOM 669 C GLY A 53 -13.285 -2.503 -52.523 1.00 0.00 C ATOM 670 O GLY A 53 -13.336 -1.465 -53.196 1.00 0.00 O ATOM 0 H GLY A 53 -14.186 -4.063 -50.371 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.848 -3.767 -53.247 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.345 -2.664 -51.980 1.00 0.00 H new ATOM 674 N CYS A 54 -12.158 -2.947 -51.974 1.00 0.00 N ATOM 675 CA CYS A 54 -10.892 -2.225 -52.144 1.00 0.00 C ATOM 676 C CYS A 54 -10.530 -2.074 -53.612 1.00 0.00 C ATOM 677 O CYS A 54 -10.040 -1.035 -54.034 1.00 0.00 O ATOM 678 CB CYS A 54 -9.761 -2.924 -51.411 1.00 0.00 C ATOM 679 SG CYS A 54 -9.793 -2.725 -49.628 1.00 0.00 S ATOM 0 H CYS A 54 -12.091 -3.795 -51.412 1.00 0.00 H new ATOM 0 HA CYS A 54 -11.032 -1.232 -51.716 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.796 -3.988 -51.646 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.811 -2.545 -51.789 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.732 -3.271 -49.111 1.00 0.00 H new ATOM 684 N ALA A 55 -10.811 -3.108 -54.393 1.00 0.00 N ATOM 685 CA ALA A 55 -10.501 -3.099 -55.817 1.00 0.00 C ATOM 686 C ALA A 55 -11.317 -2.043 -56.568 1.00 0.00 C ATOM 687 O ALA A 55 -11.012 -1.711 -57.713 1.00 0.00 O ATOM 688 CB ALA A 55 -10.744 -4.478 -56.413 1.00 0.00 C ATOM 0 H ALA A 55 -11.254 -3.966 -54.064 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.448 -2.840 -55.928 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.510 -4.461 -57.477 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.107 -5.208 -55.913 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.789 -4.754 -56.276 1.00 0.00 H new ATOM 694 N THR A 56 -12.338 -1.511 -55.919 1.00 0.00 N ATOM 695 CA THR A 56 -13.203 -0.530 -56.541 1.00 0.00 C ATOM 696 C THR A 56 -12.966 0.886 -55.982 1.00 0.00 C ATOM 697 O THR A 56 -12.807 1.839 -56.741 1.00 0.00 O ATOM 698 CB THR A 56 -14.683 -0.920 -56.356 1.00 0.00 C ATOM 699 OG1 THR A 56 -14.885 -2.261 -56.834 1.00 0.00 O ATOM 700 CG2 THR A 56 -15.594 0.030 -57.115 1.00 0.00 C ATOM 0 H THR A 56 -12.587 -1.745 -54.958 1.00 0.00 H new ATOM 0 HA THR A 56 -12.960 -0.517 -57.603 1.00 0.00 H new ATOM 0 HB THR A 56 -14.928 -0.859 -55.296 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.825 -2.512 -56.716 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.633 -0.267 -56.968 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.451 1.045 -56.745 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.353 -0.006 -58.177 1.00 0.00 H new ATOM 708 N SER A 57 -12.926 1.010 -54.663 1.00 0.00 N ATOM 709 CA SER A 57 -12.773 2.319 -54.025 1.00 0.00 C ATOM 710 C SER A 57 -11.306 2.703 -53.836 1.00 0.00 C ATOM 711 O SER A 57 -10.971 3.889 -53.761 1.00 0.00 O ATOM 712 CB SER A 57 -13.494 2.329 -52.670 1.00 0.00 C ATOM 713 OG SER A 57 -13.300 3.561 -51.986 1.00 0.00 O ATOM 0 H SER A 57 -12.997 0.227 -54.013 1.00 0.00 H new ATOM 0 HA SER A 57 -13.221 3.059 -54.688 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.560 2.160 -52.823 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.126 1.508 -52.055 1.00 0.00 H new ATOM 0 HG SER A 57 -13.773 3.537 -51.128 1.00 0.00 H new ATOM 719 N GLY A 58 -10.448 1.718 -53.771 1.00 0.00 N ATOM 720 CA GLY A 58 -9.057 1.976 -53.498 1.00 0.00 C ATOM 721 C GLY A 58 -8.700 1.474 -52.129 1.00 0.00 C ATOM 722 O GLY A 58 -9.595 1.139 -51.342 1.00 0.00 O ATOM 0 H GLY A 58 -10.685 0.735 -53.902 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.434 1.487 -54.247 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.857 3.045 -53.566 1.00 0.00 H new ATOM 726 N CYS A 59 -7.423 1.415 -51.817 1.00 0.00 N ATOM 727 CA CYS A 59 -7.004 0.888 -50.537 1.00 0.00 C ATOM 728 C CYS A 59 -5.599 1.327 -50.157 1.00 0.00 C ATOM 729 O CYS A 59 -4.868 1.912 -50.963 1.00 0.00 O ATOM 730 CB CYS A 59 -7.096 -0.625 -50.567 1.00 0.00 C ATOM 731 SG CYS A 59 -6.586 -1.345 -52.142 1.00 0.00 S ATOM 0 H CYS A 59 -6.664 1.722 -52.425 1.00 0.00 H new ATOM 0 HA CYS A 59 -7.672 1.289 -49.775 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.475 -1.035 -49.771 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.123 -0.923 -50.356 1.00 0.00 H new ATOM 0 HG CYS A 59 -6.773 -2.631 -52.112 1.00 0.00 H new ATOM 736 N ASN A 60 -5.234 1.033 -48.919 1.00 0.00 N ATOM 737 CA ASN A 60 -3.931 1.390 -48.378 1.00 0.00 C ATOM 738 C ASN A 60 -2.983 0.194 -48.437 1.00 0.00 C ATOM 739 O ASN A 60 -1.764 0.346 -48.423 1.00 0.00 O ATOM 740 CB ASN A 60 -4.096 1.850 -46.923 1.00 0.00 C ATOM 741 CG ASN A 60 -2.800 2.319 -46.298 1.00 0.00 C ATOM 742 OD1 ASN A 60 -2.042 1.527 -45.736 1.00 0.00 O ATOM 743 ND2 ASN A 60 -2.548 3.606 -46.374 1.00 0.00 N ATOM 0 H ASN A 60 -5.834 0.539 -48.259 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.507 2.198 -48.974 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.825 2.660 -46.885 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.501 1.028 -46.332 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.697 3.984 -45.958 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.203 4.227 -46.849 1.00 0.00 H new ATOM 750 N CYS A 61 -3.556 -0.982 -48.526 1.00 0.00 N ATOM 751 CA CYS A 61 -2.799 -2.217 -48.529 1.00 0.00 C ATOM 752 C CYS A 61 -2.327 -2.602 -49.938 1.00 0.00 C ATOM 753 O CYS A 61 -2.585 -1.888 -50.916 1.00 0.00 O ATOM 754 CB CYS A 61 -3.669 -3.316 -47.939 1.00 0.00 C ATOM 755 SG CYS A 61 -5.394 -3.215 -48.467 1.00 0.00 S ATOM 0 H CYS A 61 -4.565 -1.113 -48.599 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.901 -2.079 -47.927 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.263 -4.286 -48.227 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.624 -3.262 -46.851 1.00 0.00 H new ATOM 0 HG CYS A 61 -6.071 -4.184 -47.926 1.00 0.00 H new ATOM 760 N THR A 62 -1.624 -3.722 -50.023 1.00 0.00 N ATOM 761 CA THR A 62 -1.120 -4.242 -51.279 1.00 0.00 C ATOM 762 C THR A 62 -1.356 -5.751 -51.373 1.00 0.00 C ATOM 763 O THR A 62 -2.022 -6.329 -50.517 1.00 0.00 O ATOM 764 CB THR A 62 0.385 -3.942 -51.427 1.00 0.00 C ATOM 765 OG1 THR A 62 0.983 -3.752 -50.135 1.00 0.00 O ATOM 766 CG2 THR A 62 0.601 -2.708 -52.266 1.00 0.00 C ATOM 0 H THR A 62 -1.387 -4.297 -49.215 1.00 0.00 H new ATOM 0 HA THR A 62 -1.661 -3.749 -52.087 1.00 0.00 H new ATOM 0 HB THR A 62 0.854 -4.793 -51.921 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.077 -4.619 -49.687 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.669 -2.513 -52.358 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.173 -2.862 -53.257 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.117 -1.855 -51.790 1.00 0.00 H new ATOM 774 N ASP A 63 -0.774 -6.391 -52.399 1.00 0.00 N ATOM 775 CA ASP A 63 -0.926 -7.851 -52.611 1.00 0.00 C ATOM 776 C ASP A 63 -0.220 -8.649 -51.509 1.00 0.00 C ATOM 777 O ASP A 63 -0.164 -9.876 -51.549 1.00 0.00 O ATOM 778 CB ASP A 63 -0.368 -8.264 -53.981 1.00 0.00 C ATOM 779 CG ASP A 63 -1.063 -7.598 -55.136 1.00 0.00 C ATOM 780 OD1 ASP A 63 -2.019 -8.173 -55.670 1.00 0.00 O ATOM 781 OD2 ASP A 63 -0.642 -6.490 -55.525 1.00 0.00 O ATOM 0 H ASP A 63 -0.193 -5.927 -53.097 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.992 -8.075 -52.576 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.695 -8.024 -54.019 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.455 -9.345 -54.089 1.00 0.00 H new ATOM 786 N ASP A 64 0.334 -7.933 -50.546 1.00 0.00 N ATOM 787 CA ASP A 64 0.993 -8.534 -49.396 1.00 0.00 C ATOM 788 C ASP A 64 -0.054 -8.871 -48.342 1.00 0.00 C ATOM 789 O ASP A 64 0.214 -9.594 -47.372 1.00 0.00 O ATOM 790 CB ASP A 64 2.007 -7.547 -48.801 1.00 0.00 C ATOM 791 CG ASP A 64 1.339 -6.467 -47.968 1.00 0.00 C ATOM 792 OD1 ASP A 64 0.541 -5.690 -48.527 1.00 0.00 O ATOM 793 OD2 ASP A 64 1.610 -6.391 -46.754 1.00 0.00 O ATOM 0 H ASP A 64 0.340 -6.913 -50.538 1.00 0.00 H new ATOM 0 HA ASP A 64 1.513 -9.439 -49.710 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.720 -8.091 -48.182 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.574 -7.082 -49.607 1.00 0.00 H new ATOM 798 N CYS A 65 -1.242 -8.321 -48.536 1.00 0.00 N ATOM 799 CA CYS A 65 -2.350 -8.511 -47.630 1.00 0.00 C ATOM 800 C CYS A 65 -2.839 -9.958 -47.707 1.00 0.00 C ATOM 801 O CYS A 65 -2.748 -10.595 -48.758 1.00 0.00 O ATOM 802 CB CYS A 65 -3.483 -7.531 -47.999 1.00 0.00 C ATOM 803 SG CYS A 65 -4.743 -7.289 -46.723 1.00 0.00 S ATOM 0 H CYS A 65 -1.460 -7.726 -49.335 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.030 -8.311 -46.607 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.041 -6.564 -48.238 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.971 -7.891 -48.905 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.636 -6.446 -47.149 1.00 0.00 H new ATOM 808 N LYS A 66 -3.334 -10.482 -46.595 1.00 0.00 N ATOM 809 CA LYS A 66 -3.841 -11.852 -46.568 1.00 0.00 C ATOM 810 C LYS A 66 -5.197 -11.942 -47.259 1.00 0.00 C ATOM 811 O LYS A 66 -5.753 -13.029 -47.426 1.00 0.00 O ATOM 812 CB LYS A 66 -3.920 -12.390 -45.130 1.00 0.00 C ATOM 813 CG LYS A 66 -2.562 -12.563 -44.419 1.00 0.00 C ATOM 814 CD LYS A 66 -1.728 -13.728 -44.988 1.00 0.00 C ATOM 815 CE LYS A 66 -0.842 -13.297 -46.151 1.00 0.00 C ATOM 816 NZ LYS A 66 0.163 -12.282 -45.743 1.00 0.00 N ATOM 0 H LYS A 66 -3.397 -9.987 -45.705 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.138 -12.478 -47.117 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.538 -11.714 -44.539 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.429 -13.354 -45.147 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.992 -11.638 -44.507 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.734 -12.732 -43.356 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.106 -14.146 -44.197 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.397 -14.522 -45.320 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.331 -14.169 -46.559 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.464 -12.890 -46.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.000 -11.401 -46.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.075 -12.097 -44.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.119 -12.637 -45.949 1.00 0.00 H new ATOM 830 N CYS A 67 -5.727 -10.798 -47.654 1.00 0.00 N ATOM 831 CA CYS A 67 -6.962 -10.760 -48.393 1.00 0.00 C ATOM 832 C CYS A 67 -6.686 -11.078 -49.847 1.00 0.00 C ATOM 833 O CYS A 67 -5.787 -10.503 -50.455 1.00 0.00 O ATOM 834 CB CYS A 67 -7.626 -9.394 -48.284 1.00 0.00 C ATOM 835 SG CYS A 67 -9.159 -9.261 -49.234 1.00 0.00 S ATOM 0 H CYS A 67 -5.314 -9.883 -47.471 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.640 -11.502 -47.971 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.838 -9.184 -47.236 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.928 -8.631 -48.627 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.664 -10.446 -49.411 1.00 0.00 H new ATOM 840 N GLN A 68 -7.449 -11.989 -50.400 1.00 0.00 N ATOM 841 CA GLN A 68 -7.259 -12.394 -51.779 1.00 0.00 C ATOM 842 C GLN A 68 -8.356 -11.821 -52.666 1.00 0.00 C ATOM 843 O GLN A 68 -8.530 -12.242 -53.803 1.00 0.00 O ATOM 844 CB GLN A 68 -7.233 -13.918 -51.871 1.00 0.00 C ATOM 845 CG GLN A 68 -6.185 -14.561 -50.969 1.00 0.00 C ATOM 846 CD GLN A 68 -6.199 -16.077 -51.017 1.00 0.00 C ATOM 847 OE1 GLN A 68 -5.175 -16.721 -50.819 1.00 0.00 O ATOM 848 NE2 GLN A 68 -7.358 -16.659 -51.273 1.00 0.00 N ATOM 0 H GLN A 68 -8.210 -12.467 -49.918 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.305 -12.003 -52.132 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.216 -14.307 -51.608 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.041 -14.209 -52.904 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.197 -14.205 -51.261 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.351 -14.236 -49.942 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.190 -16.091 -51.433 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.420 -17.676 -51.311 1.00 0.00 H new ATOM 857 N SER A 69 -9.087 -10.849 -52.140 1.00 0.00 N ATOM 858 CA SER A 69 -10.165 -10.231 -52.886 1.00 0.00 C ATOM 859 C SER A 69 -9.679 -9.021 -53.698 1.00 0.00 C ATOM 860 O SER A 69 -10.063 -8.857 -54.857 1.00 0.00 O ATOM 861 CB SER A 69 -11.303 -9.839 -51.953 1.00 0.00 C ATOM 862 OG SER A 69 -11.818 -10.980 -51.280 1.00 0.00 O ATOM 0 H SER A 69 -8.951 -10.474 -51.201 1.00 0.00 H new ATOM 0 HA SER A 69 -10.537 -10.967 -53.598 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.948 -9.111 -51.224 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.098 -9.358 -52.523 1.00 0.00 H new ATOM 0 HG SER A 69 -12.547 -10.707 -50.684 1.00 0.00 H new ATOM 868 N CYS A 70 -8.851 -8.169 -53.095 1.00 0.00 N ATOM 869 CA CYS A 70 -8.324 -7.018 -53.822 1.00 0.00 C ATOM 870 C CYS A 70 -6.916 -7.296 -54.328 1.00 0.00 C ATOM 871 O CYS A 70 -6.360 -6.523 -55.115 1.00 0.00 O ATOM 872 CB CYS A 70 -8.363 -5.741 -52.969 1.00 0.00 C ATOM 873 SG CYS A 70 -7.345 -5.775 -51.476 1.00 0.00 S ATOM 0 H CYS A 70 -8.537 -8.251 -52.128 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.969 -6.851 -54.685 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.044 -4.902 -53.587 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.396 -5.549 -52.680 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.461 -4.644 -50.846 1.00 0.00 H new ATOM 878 N SER A 71 -6.347 -8.404 -53.878 1.00 0.00 N ATOM 879 CA SER A 71 -5.032 -8.815 -54.319 1.00 0.00 C ATOM 880 C SER A 71 -5.147 -9.607 -55.619 1.00 0.00 C ATOM 881 O SER A 71 -6.192 -10.201 -55.906 1.00 0.00 O ATOM 882 CB SER A 71 -4.345 -9.655 -53.241 1.00 0.00 C ATOM 883 OG SER A 71 -4.272 -8.946 -52.015 1.00 0.00 O ATOM 0 H SER A 71 -6.782 -9.034 -53.204 1.00 0.00 H new ATOM 0 HA SER A 71 -4.426 -7.927 -54.498 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.894 -10.585 -53.095 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.341 -9.925 -53.570 1.00 0.00 H new ATOM 0 HG SER A 71 -4.703 -9.470 -51.308 1.00 0.00 H new ATOM 889 N THR A 72 -4.088 -9.608 -56.391 1.00 0.00 N ATOM 890 CA THR A 72 -4.068 -10.281 -57.671 1.00 0.00 C ATOM 891 C THR A 72 -4.097 -11.810 -57.535 1.00 0.00 C ATOM 892 O THR A 72 -3.368 -12.406 -56.718 1.00 0.00 O ATOM 893 CB THR A 72 -2.846 -9.850 -58.500 1.00 0.00 C ATOM 894 OG1 THR A 72 -1.681 -9.839 -57.671 1.00 0.00 O ATOM 895 CG2 THR A 72 -3.058 -8.465 -59.095 1.00 0.00 C ATOM 0 H THR A 72 -3.213 -9.142 -56.151 1.00 0.00 H new ATOM 0 HA THR A 72 -4.978 -9.982 -58.191 1.00 0.00 H new ATOM 0 HB THR A 72 -2.713 -10.563 -59.314 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.635 -8.990 -57.183 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.181 -8.181 -59.677 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.935 -8.477 -59.742 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.210 -7.743 -58.292 1.00 0.00 H new ATOM 903 N ALA A 73 -4.952 -12.429 -58.328 1.00 0.00 N ATOM 904 CA ALA A 73 -5.098 -13.869 -58.356 1.00 0.00 C ATOM 905 C ALA A 73 -3.893 -14.520 -59.030 1.00 0.00 C ATOM 906 O ALA A 73 -3.144 -13.862 -59.748 1.00 0.00 O ATOM 907 CB ALA A 73 -6.376 -14.234 -59.100 1.00 0.00 C ATOM 0 H ALA A 73 -5.569 -11.940 -58.976 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.156 -14.238 -57.332 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.487 -15.318 -59.122 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.232 -13.792 -58.591 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.324 -13.854 -60.120 1.00 0.00 H new ATOM 913 N CYS A 74 -3.706 -15.805 -58.785 1.00 0.00 N ATOM 914 CA CYS A 74 -2.622 -16.542 -59.408 1.00 0.00 C ATOM 915 C CYS A 74 -3.132 -17.195 -60.688 1.00 0.00 C ATOM 916 O CYS A 74 -4.334 -17.422 -60.834 1.00 0.00 O ATOM 917 CB CYS A 74 -2.054 -17.594 -58.446 1.00 0.00 C ATOM 918 SG CYS A 74 -0.246 -17.599 -58.344 1.00 0.00 S ATOM 0 H CYS A 74 -4.291 -16.359 -58.159 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.814 -15.853 -59.654 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.463 -17.420 -57.451 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.393 -18.581 -58.762 1.00 0.00 H new ATOM 0 HG CYS A 74 0.147 -18.625 -57.648 1.00 0.00 H new ATOM 923 N LYS A 75 -2.230 -17.498 -61.603 1.00 0.00 N ATOM 924 CA LYS A 75 -2.615 -18.039 -62.907 1.00 0.00 C ATOM 925 C LYS A 75 -2.590 -19.556 -62.940 1.00 0.00 C ATOM 926 O LYS A 75 -2.893 -20.161 -63.968 1.00 0.00 O ATOM 927 CB LYS A 75 -1.704 -17.487 -63.999 1.00 0.00 C ATOM 928 CG LYS A 75 -1.805 -15.989 -64.185 1.00 0.00 C ATOM 929 CD LYS A 75 -3.202 -15.578 -64.607 1.00 0.00 C ATOM 930 CE LYS A 75 -3.280 -14.080 -64.848 1.00 0.00 C ATOM 931 NZ LYS A 75 -4.607 -13.666 -65.358 1.00 0.00 N ATOM 0 H LYS A 75 -1.225 -17.381 -61.474 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.643 -17.725 -63.087 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.672 -17.745 -63.762 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.946 -17.977 -64.942 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.542 -15.487 -63.254 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.086 -15.665 -64.937 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.483 -16.111 -65.515 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.917 -15.864 -63.836 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.069 -13.552 -63.918 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.510 -13.788 -65.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.616 -12.637 -65.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.799 -14.149 -66.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.340 -13.921 -64.666 1.00 0.00 H new ATOM 945 N CYS A 76 -2.236 -20.164 -61.835 1.00 0.00 N ATOM 946 CA CYS A 76 -2.156 -21.610 -61.764 1.00 0.00 C ATOM 947 C CYS A 76 -3.525 -22.261 -61.818 1.00 0.00 C ATOM 948 O CYS A 76 -4.547 -21.631 -61.516 1.00 0.00 O ATOM 949 CB CYS A 76 -1.429 -22.032 -60.509 1.00 0.00 C ATOM 950 SG CYS A 76 0.254 -21.437 -60.440 1.00 0.00 S ATOM 0 H CYS A 76 -1.997 -19.683 -60.968 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.598 -21.948 -62.637 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.974 -21.664 -59.640 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.426 -23.120 -60.446 1.00 0.00 H new ATOM 0 HG CYS A 76 0.875 -22.004 -59.449 1.00 0.00 H new ATOM 955 N ALA A 77 -3.536 -23.518 -62.208 1.00 0.00 N ATOM 956 CA ALA A 77 -4.755 -24.284 -62.294 1.00 0.00 C ATOM 957 C ALA A 77 -4.728 -25.413 -61.276 1.00 0.00 C ATOM 958 O ALA A 77 -3.726 -25.590 -60.576 1.00 0.00 O ATOM 959 CB ALA A 77 -4.939 -24.828 -63.701 1.00 0.00 C ATOM 0 H ALA A 77 -2.698 -24.035 -62.474 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.601 -23.635 -62.070 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.863 -25.404 -63.750 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.989 -24.000 -64.408 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.097 -25.471 -63.955 1.00 0.00 H new ATOM 965 N ALA A 78 -5.818 -26.186 -61.224 1.00 0.00 N ATOM 966 CA ALA A 78 -5.992 -27.288 -60.259 1.00 0.00 C ATOM 967 C ALA A 78 -4.733 -28.136 -60.075 1.00 0.00 C ATOM 968 O ALA A 78 -4.382 -28.491 -58.951 1.00 0.00 O ATOM 969 CB ALA A 78 -7.154 -28.170 -60.675 1.00 0.00 C ATOM 0 H ALA A 78 -6.612 -26.067 -61.853 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.201 -26.824 -59.295 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.272 -28.980 -59.955 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.068 -27.577 -60.707 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.958 -28.588 -61.662 1.00 0.00 H new ATOM 975 N GLY A 79 -4.071 -28.464 -61.165 1.00 0.00 N ATOM 976 CA GLY A 79 -2.865 -29.255 -61.083 1.00 0.00 C ATOM 977 C GLY A 79 -1.777 -28.730 -61.989 1.00 0.00 C ATOM 978 O GLY A 79 -1.003 -29.505 -62.558 1.00 0.00 O ATOM 0 H GLY A 79 -4.346 -28.197 -62.110 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.506 -29.262 -60.054 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.091 -30.288 -61.349 1.00 0.00 H new ATOM 982 N SER A 80 -1.709 -27.417 -62.125 1.00 0.00 N ATOM 983 CA SER A 80 -0.715 -26.796 -62.980 1.00 0.00 C ATOM 984 C SER A 80 -0.057 -25.610 -62.281 1.00 0.00 C ATOM 985 O SER A 80 -0.639 -24.531 -62.198 1.00 0.00 O ATOM 986 CB SER A 80 -1.356 -26.338 -64.294 1.00 0.00 C ATOM 987 OG SER A 80 -2.056 -27.400 -64.923 1.00 0.00 O ATOM 0 H SER A 80 -2.331 -26.761 -61.653 1.00 0.00 H new ATOM 0 HA SER A 80 0.054 -27.537 -63.197 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.041 -25.513 -64.099 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.585 -25.960 -64.965 1.00 0.00 H new ATOM 0 HG SER A 80 -2.456 -27.079 -65.758 1.00 0.00 H new ATOM 993 N CYS A 81 1.141 -25.828 -61.770 1.00 0.00 N ATOM 994 CA CYS A 81 1.907 -24.782 -61.110 1.00 0.00 C ATOM 995 C CYS A 81 2.824 -24.108 -62.134 1.00 0.00 C ATOM 996 O CYS A 81 3.464 -24.791 -62.945 1.00 0.00 O ATOM 997 CB CYS A 81 2.730 -25.389 -59.957 1.00 0.00 C ATOM 998 SG CYS A 81 3.684 -24.200 -58.977 1.00 0.00 S ATOM 0 H CYS A 81 1.611 -26.733 -61.800 1.00 0.00 H new ATOM 0 HA CYS A 81 1.232 -24.034 -60.694 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.052 -25.923 -59.291 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.417 -26.127 -60.372 1.00 0.00 H new ATOM 0 HG CYS A 81 4.330 -24.829 -58.040 1.00 0.00 H new ATOM 1003 N LYS A 82 2.863 -22.779 -62.127 1.00 0.00 N ATOM 1004 CA LYS A 82 3.676 -22.034 -63.096 1.00 0.00 C ATOM 1005 C LYS A 82 4.833 -21.296 -62.433 1.00 0.00 C ATOM 1006 O LYS A 82 5.981 -21.414 -62.862 1.00 0.00 O ATOM 1007 CB LYS A 82 2.817 -21.040 -63.892 1.00 0.00 C ATOM 1008 CG LYS A 82 2.095 -21.637 -65.100 1.00 0.00 C ATOM 1009 CD LYS A 82 1.098 -22.709 -64.703 1.00 0.00 C ATOM 1010 CE LYS A 82 0.278 -23.180 -65.892 1.00 0.00 C ATOM 1011 NZ LYS A 82 1.122 -23.782 -66.949 1.00 0.00 N ATOM 0 H LYS A 82 2.347 -22.195 -61.469 1.00 0.00 H new ATOM 0 HA LYS A 82 4.095 -22.773 -63.779 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.075 -20.605 -63.222 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.454 -20.224 -64.234 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.577 -20.844 -65.639 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.828 -22.062 -65.785 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.628 -23.556 -64.268 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.432 -22.320 -63.933 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.458 -23.911 -65.557 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.275 -22.337 -66.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.515 -24.210 -67.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.714 -23.045 -67.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.731 -24.515 -66.532 1.00 0.00 H new ATOM 1025 N CYS A 83 4.533 -20.532 -61.401 1.00 0.00 N ATOM 1026 CA CYS A 83 5.557 -19.766 -60.703 1.00 0.00 C ATOM 1027 C CYS A 83 6.500 -20.690 -59.935 1.00 0.00 C ATOM 1028 O CYS A 83 7.661 -20.357 -59.695 1.00 0.00 O ATOM 1029 CB CYS A 83 4.902 -18.784 -59.754 1.00 0.00 C ATOM 1030 SG CYS A 83 3.786 -19.571 -58.593 1.00 0.00 S ATOM 0 H CYS A 83 3.591 -20.423 -61.025 1.00 0.00 H new ATOM 0 HA CYS A 83 6.144 -19.219 -61.440 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.675 -18.250 -59.201 1.00 0.00 H new ATOM 0 HB3 CYS A 83 4.352 -18.041 -60.331 1.00 0.00 H new ATOM 0 HG CYS A 83 3.434 -18.714 -57.681 1.00 0.00 H new ATOM 1035 N GLY A 84 5.993 -21.852 -59.554 1.00 0.00 N ATOM 1036 CA GLY A 84 6.797 -22.805 -58.831 1.00 0.00 C ATOM 1037 C GLY A 84 6.858 -22.494 -57.356 1.00 0.00 C ATOM 1038 O GLY A 84 7.788 -22.914 -56.665 1.00 0.00 O ATOM 0 H GLY A 84 5.034 -22.150 -59.735 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.388 -23.805 -58.973 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.807 -22.812 -59.241 1.00 0.00 H new ATOM 1042 N LYS A 85 5.871 -21.754 -56.869 1.00 0.00 N ATOM 1043 CA LYS A 85 5.817 -21.390 -55.463 1.00 0.00 C ATOM 1044 C LYS A 85 5.030 -22.419 -54.677 1.00 0.00 C ATOM 1045 O LYS A 85 5.020 -22.402 -53.444 1.00 0.00 O ATOM 1046 CB LYS A 85 5.217 -19.996 -55.283 1.00 0.00 C ATOM 1047 CG LYS A 85 6.060 -18.884 -55.891 1.00 0.00 C ATOM 1048 CD LYS A 85 7.412 -18.758 -55.195 1.00 0.00 C ATOM 1049 CE LYS A 85 8.293 -17.722 -55.883 1.00 0.00 C ATOM 1050 NZ LYS A 85 7.660 -16.377 -55.920 1.00 0.00 N ATOM 0 H LYS A 85 5.097 -21.395 -57.428 1.00 0.00 H new ATOM 0 HA LYS A 85 6.836 -21.370 -55.077 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.225 -19.976 -55.734 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.087 -19.801 -54.219 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.214 -19.082 -56.952 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.523 -17.938 -55.818 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.262 -18.477 -54.153 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.915 -19.725 -55.195 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.248 -17.657 -55.362 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.507 -18.049 -56.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.352 -15.677 -56.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.844 -16.395 -56.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.341 -16.117 -54.965 1.00 0.00 H new ATOM 1064 N GLY A 86 4.367 -23.313 -55.395 1.00 0.00 N ATOM 1065 CA GLY A 86 3.639 -24.384 -54.755 1.00 0.00 C ATOM 1066 C GLY A 86 2.154 -24.118 -54.643 1.00 0.00 C ATOM 1067 O GLY A 86 1.491 -24.651 -53.752 1.00 0.00 O ATOM 0 H GLY A 86 4.321 -23.314 -56.414 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.794 -25.305 -55.317 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.048 -24.546 -53.758 1.00 0.00 H new ATOM 1071 N CYS A 87 1.628 -23.310 -55.535 1.00 0.00 N ATOM 1072 CA CYS A 87 0.220 -23.002 -55.526 1.00 0.00 C ATOM 1073 C CYS A 87 -0.451 -23.531 -56.780 1.00 0.00 C ATOM 1074 O CYS A 87 0.159 -23.595 -57.844 1.00 0.00 O ATOM 1075 CB CYS A 87 -0.001 -21.493 -55.376 1.00 0.00 C ATOM 1076 SG CYS A 87 1.093 -20.474 -56.388 1.00 0.00 S ATOM 0 H CYS A 87 2.158 -22.854 -56.278 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.236 -23.495 -54.668 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.034 -21.262 -55.634 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.134 -21.221 -54.329 1.00 0.00 H new ATOM 0 HG CYS A 87 1.351 -21.090 -57.504 1.00 0.00 H new ATOM 1081 N THR A 88 -1.690 -23.945 -56.642 1.00 0.00 N ATOM 1082 CA THR A 88 -2.444 -24.465 -57.759 1.00 0.00 C ATOM 1083 C THR A 88 -3.719 -23.655 -57.977 1.00 0.00 C ATOM 1084 O THR A 88 -4.798 -24.205 -58.183 1.00 0.00 O ATOM 1085 CB THR A 88 -2.786 -25.951 -57.548 1.00 0.00 C ATOM 1086 OG1 THR A 88 -3.133 -26.182 -56.174 1.00 0.00 O ATOM 1087 CG2 THR A 88 -1.608 -26.837 -57.934 1.00 0.00 C ATOM 0 H THR A 88 -2.200 -23.931 -55.759 1.00 0.00 H new ATOM 0 HA THR A 88 -1.822 -24.378 -58.650 1.00 0.00 H new ATOM 0 HB THR A 88 -3.634 -26.202 -58.185 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.351 -27.129 -56.046 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.872 -27.883 -57.777 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.362 -26.679 -58.984 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.745 -26.584 -57.318 1.00 0.00 H new ATOM 1095 N GLY A 89 -3.577 -22.342 -57.927 1.00 0.00 N ATOM 1096 CA GLY A 89 -4.704 -21.464 -58.128 1.00 0.00 C ATOM 1097 C GLY A 89 -4.671 -20.295 -57.174 1.00 0.00 C ATOM 1098 O GLY A 89 -3.907 -20.309 -56.213 1.00 0.00 O ATOM 0 H GLY A 89 -2.692 -21.866 -57.749 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.703 -21.097 -59.155 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.630 -22.022 -57.990 1.00 0.00 H new ATOM 1102 N PRO A 90 -5.488 -19.254 -57.415 1.00 0.00 N ATOM 1103 CA PRO A 90 -5.546 -18.067 -56.549 1.00 0.00 C ATOM 1104 C PRO A 90 -5.893 -18.410 -55.105 1.00 0.00 C ATOM 1105 O PRO A 90 -5.276 -17.901 -54.180 1.00 0.00 O ATOM 1106 CB PRO A 90 -6.662 -17.223 -57.169 1.00 0.00 C ATOM 1107 CG PRO A 90 -7.424 -18.172 -58.029 1.00 0.00 C ATOM 1108 CD PRO A 90 -6.412 -19.139 -58.552 1.00 0.00 C ATOM 0 HA PRO A 90 -4.582 -17.562 -56.500 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.300 -16.785 -56.401 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.256 -16.398 -57.754 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.198 -18.685 -57.457 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.924 -17.648 -58.844 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.860 -20.098 -58.813 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.914 -18.765 -59.447 1.00 0.00 H new ATOM 1116 N ASP A 91 -6.881 -19.282 -54.923 1.00 0.00 N ATOM 1117 CA ASP A 91 -7.308 -19.685 -53.583 1.00 0.00 C ATOM 1118 C ASP A 91 -6.188 -20.416 -52.865 1.00 0.00 C ATOM 1119 O ASP A 91 -5.987 -20.248 -51.665 1.00 0.00 O ATOM 1120 CB ASP A 91 -8.548 -20.581 -53.657 1.00 0.00 C ATOM 1121 CG ASP A 91 -9.044 -21.007 -52.283 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -8.559 -22.030 -51.757 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -9.930 -20.322 -51.727 1.00 0.00 O ATOM 0 H ASP A 91 -7.400 -19.723 -55.682 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.559 -18.784 -53.023 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.345 -20.050 -54.179 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.316 -21.468 -54.247 1.00 0.00 H new ATOM 1128 N SER A 92 -5.446 -21.200 -53.616 1.00 0.00 N ATOM 1129 CA SER A 92 -4.356 -21.980 -53.075 1.00 0.00 C ATOM 1130 C SER A 92 -3.086 -21.141 -52.945 1.00 0.00 C ATOM 1131 O SER A 92 -2.062 -21.621 -52.460 1.00 0.00 O ATOM 1132 CB SER A 92 -4.099 -23.173 -53.980 1.00 0.00 C ATOM 1133 OG SER A 92 -5.314 -23.832 -54.287 1.00 0.00 O ATOM 0 H SER A 92 -5.582 -21.314 -54.620 1.00 0.00 H new ATOM 0 HA SER A 92 -4.634 -22.322 -52.078 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.615 -22.842 -54.899 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.415 -23.867 -53.492 1.00 0.00 H new ATOM 0 HG SER A 92 -5.132 -24.597 -54.872 1.00 0.00 H new ATOM 1139 N CYS A 93 -3.153 -19.895 -53.380 1.00 0.00 N ATOM 1140 CA CYS A 93 -2.004 -19.023 -53.313 1.00 0.00 C ATOM 1141 C CYS A 93 -1.906 -18.352 -51.951 1.00 0.00 C ATOM 1142 O CYS A 93 -2.519 -17.317 -51.704 1.00 0.00 O ATOM 1143 CB CYS A 93 -2.040 -17.975 -54.428 1.00 0.00 C ATOM 1144 SG CYS A 93 -0.590 -16.890 -54.467 1.00 0.00 S ATOM 0 H CYS A 93 -3.989 -19.470 -53.781 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.115 -19.638 -53.455 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.126 -18.484 -55.388 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.935 -17.364 -54.310 1.00 0.00 H new ATOM 0 HG CYS A 93 -0.106 -16.856 -55.673 1.00 0.00 H new ATOM 1149 N LYS A 94 -1.145 -18.964 -51.069 1.00 0.00 N ATOM 1150 CA LYS A 94 -0.916 -18.435 -49.731 1.00 0.00 C ATOM 1151 C LYS A 94 0.384 -17.652 -49.715 1.00 0.00 C ATOM 1152 O LYS A 94 0.982 -17.408 -48.660 1.00 0.00 O ATOM 1153 CB LYS A 94 -0.833 -19.575 -48.735 1.00 0.00 C ATOM 1154 CG LYS A 94 0.233 -20.577 -49.086 1.00 0.00 C ATOM 1155 CD LYS A 94 0.444 -21.572 -47.991 1.00 0.00 C ATOM 1156 CE LYS A 94 1.565 -22.508 -48.338 1.00 0.00 C ATOM 1157 NZ LYS A 94 1.257 -23.337 -49.531 1.00 0.00 N ATOM 0 H LYS A 94 -0.664 -19.844 -51.255 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.742 -17.779 -49.456 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.633 -19.171 -47.743 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.798 -20.080 -48.685 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.046 -21.098 -50.002 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.169 -20.056 -49.288 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.671 -21.053 -47.060 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.472 -22.139 -47.825 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.472 -21.933 -48.522 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.768 -23.159 -47.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.968 -24.090 -49.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.314 -23.762 -49.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.273 -22.740 -50.382 1.00 0.00 H new ATOM 1171 N CYS A 95 0.814 -17.269 -50.889 1.00 0.00 N ATOM 1172 CA CYS A 95 2.048 -16.558 -51.061 1.00 0.00 C ATOM 1173 C CYS A 95 1.842 -15.063 -50.926 1.00 0.00 C ATOM 1174 O CYS A 95 0.768 -14.596 -50.523 1.00 0.00 O ATOM 1175 CB CYS A 95 2.639 -16.892 -52.421 1.00 0.00 C ATOM 1176 SG CYS A 95 2.975 -18.646 -52.647 1.00 0.00 S ATOM 0 H CYS A 95 0.311 -17.445 -51.759 1.00 0.00 H new ATOM 0 HA CYS A 95 2.741 -16.868 -50.279 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.952 -16.559 -53.199 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.565 -16.333 -52.553 1.00 0.00 H new ATOM 0 HG CYS A 95 3.063 -18.911 -53.917 1.00 0.00 H new ATOM 1181 N ASP A 96 2.870 -14.318 -51.244 1.00 0.00 N ATOM 1182 CA ASP A 96 2.812 -12.884 -51.169 1.00 0.00 C ATOM 1183 C ASP A 96 2.832 -12.272 -52.568 1.00 0.00 C ATOM 1184 O ASP A 96 2.573 -12.955 -53.563 1.00 0.00 O ATOM 1185 CB ASP A 96 3.960 -12.335 -50.302 1.00 0.00 C ATOM 1186 CG ASP A 96 5.325 -12.670 -50.843 1.00 0.00 C ATOM 1187 OD1 ASP A 96 5.893 -13.707 -50.436 1.00 0.00 O ATOM 1188 OD2 ASP A 96 5.837 -11.906 -51.667 1.00 0.00 O ATOM 0 H ASP A 96 3.766 -14.688 -51.561 1.00 0.00 H new ATOM 0 HA ASP A 96 1.873 -12.601 -50.693 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.863 -11.252 -50.225 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.868 -12.736 -49.293 1.00 0.00 H new ATOM 1193 N ARG A 97 3.156 -11.004 -52.631 1.00 0.00 N ATOM 1194 CA ARG A 97 3.124 -10.243 -53.869 1.00 0.00 C ATOM 1195 C ARG A 97 4.343 -10.505 -54.775 1.00 0.00 C ATOM 1196 O ARG A 97 4.419 -9.976 -55.882 1.00 0.00 O ATOM 1197 CB ARG A 97 3.007 -8.763 -53.530 1.00 0.00 C ATOM 1198 CG ARG A 97 4.110 -8.246 -52.627 1.00 0.00 C ATOM 1199 CD ARG A 97 3.739 -6.899 -52.045 1.00 0.00 C ATOM 1200 NE ARG A 97 4.788 -6.361 -51.177 1.00 0.00 N ATOM 1201 CZ ARG A 97 4.813 -5.105 -50.708 1.00 0.00 C ATOM 1202 NH1 ARG A 97 3.835 -4.256 -51.009 1.00 0.00 N ATOM 1203 NH2 ARG A 97 5.818 -4.701 -49.942 1.00 0.00 N ATOM 0 H ARG A 97 3.453 -10.460 -51.821 1.00 0.00 H new ATOM 0 HA ARG A 97 2.257 -10.571 -54.442 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.010 -8.188 -54.456 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.045 -8.586 -53.049 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.291 -8.958 -51.822 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.039 -8.160 -53.191 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.545 -6.196 -52.855 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.813 -6.994 -51.477 1.00 0.00 H new ATOM 0 HE ARG A 97 5.551 -6.983 -50.911 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.060 -4.559 -51.599 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.859 -3.302 -50.649 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.573 -5.346 -49.709 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.836 -3.745 -49.586 1.00 0.00 H new ATOM 1217 N SER A 98 5.278 -11.328 -54.315 1.00 0.00 N ATOM 1218 CA SER A 98 6.474 -11.636 -55.096 1.00 0.00 C ATOM 1219 C SER A 98 6.211 -12.754 -56.126 1.00 0.00 C ATOM 1220 O SER A 98 7.147 -13.333 -56.678 1.00 0.00 O ATOM 1221 CB SER A 98 7.636 -12.024 -54.166 1.00 0.00 C ATOM 1222 OG SER A 98 8.836 -12.259 -54.898 1.00 0.00 O ATOM 0 H SER A 98 5.233 -11.794 -53.409 1.00 0.00 H new ATOM 0 HA SER A 98 6.748 -10.737 -55.649 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.802 -11.229 -53.439 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.370 -12.919 -53.604 1.00 0.00 H new ATOM 0 HG SER A 98 8.617 -12.663 -55.764 1.00 0.00 H new ATOM 1228 N CYS A 99 4.950 -13.048 -56.380 1.00 0.00 N ATOM 1229 CA CYS A 99 4.602 -14.052 -57.371 1.00 0.00 C ATOM 1230 C CYS A 99 4.571 -13.437 -58.759 1.00 0.00 C ATOM 1231 O CYS A 99 4.047 -12.342 -58.950 1.00 0.00 O ATOM 1232 CB CYS A 99 3.255 -14.690 -57.052 1.00 0.00 C ATOM 1233 SG CYS A 99 3.354 -16.422 -56.568 1.00 0.00 S ATOM 0 H CYS A 99 4.153 -12.610 -55.918 1.00 0.00 H new ATOM 0 HA CYS A 99 5.365 -14.830 -57.345 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.780 -14.127 -56.249 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.609 -14.605 -57.926 1.00 0.00 H new ATOM 0 HG CYS A 99 2.160 -16.871 -56.316 1.00 0.00 H new ATOM 1238 N SER A 100 5.126 -14.145 -59.721 1.00 0.00 N ATOM 1239 CA SER A 100 5.189 -13.668 -61.091 1.00 0.00 C ATOM 1240 C SER A 100 3.823 -13.747 -61.778 1.00 0.00 C ATOM 1241 O SER A 100 3.573 -13.054 -62.764 1.00 0.00 O ATOM 1242 CB SER A 100 6.221 -14.480 -61.862 1.00 0.00 C ATOM 1243 OG SER A 100 6.051 -15.869 -61.620 1.00 0.00 O ATOM 0 H SER A 100 5.545 -15.064 -59.578 1.00 0.00 H new ATOM 0 HA SER A 100 5.485 -12.619 -61.078 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.127 -14.278 -62.929 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.225 -14.175 -61.567 1.00 0.00 H new ATOM 0 HG SER A 100 6.722 -16.374 -62.125 1.00 0.00 H new ATOM 1249 N CYS A 101 2.942 -14.582 -61.243 1.00 0.00 N ATOM 1250 CA CYS A 101 1.611 -14.764 -61.810 1.00 0.00 C ATOM 1251 C CYS A 101 0.632 -13.694 -61.332 1.00 0.00 C ATOM 1252 O CYS A 101 -0.566 -13.779 -61.598 1.00 0.00 O ATOM 1253 CB CYS A 101 1.070 -16.145 -61.456 1.00 0.00 C ATOM 1254 SG CYS A 101 1.940 -17.508 -62.242 1.00 0.00 S ATOM 0 H CYS A 101 3.126 -15.147 -60.414 1.00 0.00 H new ATOM 0 HA CYS A 101 1.707 -14.671 -62.892 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.118 -16.274 -60.375 1.00 0.00 H new ATOM 0 HB3 CYS A 101 0.018 -16.192 -61.736 1.00 0.00 H new ATOM 0 HG CYS A 101 1.405 -18.634 -61.874 1.00 0.00 H new ATOM 1259 N LYS A 102 1.133 -12.694 -60.637 1.00 0.00 N ATOM 1260 CA LYS A 102 0.281 -11.634 -60.129 1.00 0.00 C ATOM 1261 C LYS A 102 0.060 -10.553 -61.182 1.00 0.00 C ATOM 1262 O LYS A 102 1.006 -9.756 -61.413 1.00 0.00 O ATOM 1263 CB LYS A 102 0.872 -11.027 -58.857 1.00 0.00 C ATOM 1264 CG LYS A 102 1.035 -12.022 -57.716 1.00 0.00 C ATOM 1265 CD LYS A 102 -0.240 -12.820 -57.485 1.00 0.00 C ATOM 1266 CE LYS A 102 -0.129 -13.690 -56.248 1.00 0.00 C ATOM 1267 NZ LYS A 102 -1.369 -14.461 -56.010 1.00 0.00 N ATOM 0 H LYS A 102 2.122 -12.591 -60.410 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.687 -12.073 -59.886 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.845 -10.595 -59.091 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.232 -10.210 -58.525 1.00 0.00 H new ATOM 0 HG2 LYS A 102 1.856 -12.703 -57.940 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.303 -11.490 -56.803 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.084 -12.138 -57.378 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.443 -13.445 -58.355 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.711 -14.376 -56.359 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.083 -13.065 -55.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.192 -15.188 -55.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.118 -13.820 -55.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.669 -14.918 -56.895 1.00 0.00 H new