USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=54 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 83 CYS SG : rot 180:sc= 0.064 USER MOD Set 1.2: A 85 LYS NZ :NH3+ -144:sc= 1.03 (180deg=-0.738) USER MOD Set 1.3: A 93 CYS SG : rot 180:sc= -0.0992 USER MOD Set 1.4: A 95 CYS SG : rot 98:sc= 0.766! USER MOD Set 1.5: A 99 CYS SG : rot 118:sc= -0.118 USER MOD Set 2.1: A 88 THR OG1 : rot 180:sc= 0.0175 USER MOD Set 2.2: A 92 SER OG : rot 160:sc= 0.0169 USER MOD Set 3.1: A 74 CYS SG : rot 150:sc= 0 USER MOD Set 3.2: A 76 CYS SG : rot 170:sc= 0.506 USER MOD Set 3.3: A 81 CYS SG : rot 90:sc= 0.905 USER MOD Set 3.4: A 102 LYS NZ :NH3+ 173:sc= 1.16 (180deg=1.05) USER MOD Set 4.1: A 52 CYS SG : rot -170:sc= -2.25! USER MOD Set 4.2: A 67 CYS SG : rot 180:sc= 0.0522 USER MOD Set 4.3: A 68 GLN : amide:sc=-0.00811 K(o=-2.2,f=-3.4) USER MOD Set 4.4: A 69 SER OG : rot -4:sc= 0.46 USER MOD Set 4.5: A 70 CYS SG : rot 170:sc= -0.439 USER MOD Set 5.1: A 47 CYS SG : rot -18:sc= 0.16 USER MOD Set 5.2: A 54 CYS SG : rot 180:sc= -0.919 USER MOD Set 5.3: A 59 CYS SG : rot 180:sc= 0 USER MOD Set 5.4: A 61 CYS SG : rot 180:sc= 0.0135 USER MOD Set 6.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 6.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 11 CYS SG : rot 180:sc= -0.189 USER MOD Set 7.2: A 15 CYS SG : rot -24:sc= 0.412 USER MOD Set 7.3: A 16 LYS NZ :NH3+ -119:sc=-0.000248 (180deg=-0.0983) USER MOD Set 7.4: A 20 CYS SG : rot 180:sc= -3.84! USER MOD Set 7.5: A 28 CYS SG : rot 180:sc= -0.55 USER MOD Set 7.6: A 32 CYS SG : rot 180:sc= -0.457 USER MOD Set 7.7: A 37 CYS SG : rot 180:sc= -0.314 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.135 F(o=-1.5,f=-0.13) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.0213 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.509 USER MOD Single : A 27 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.048) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.57) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.14 F(o=-2.9!,f=-2.1) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.057 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= -0.0221 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -129:sc= -0.0594 USER MOD Single : A 72 THR OG1 : rot -77:sc= 0.692 USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 1.32 (180deg=0.885) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 128:sc= -0.186 (180deg=-0.791) USER MOD Single : A 87 CYS SG : rot -170:sc= -2.56! USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -0.0443 (180deg=-0.22) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -31:sc= 0.11 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.295 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 -0.071 -6.922 -16.637 1.00 0.00 N ATOM 94 CA GLY A 8 -0.776 -7.275 -17.848 1.00 0.00 C ATOM 95 C GLY A 8 -2.092 -6.536 -18.014 1.00 0.00 C ATOM 96 O GLY A 8 -2.467 -6.167 -19.129 1.00 0.00 O ATOM 0 HA2 GLY A 8 -0.138 -7.064 -18.706 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.967 -8.348 -17.849 1.00 0.00 H new ATOM 100 N ALA A 9 -2.782 -6.297 -16.915 1.00 0.00 N ATOM 101 CA ALA A 9 -4.081 -5.644 -16.961 1.00 0.00 C ATOM 102 C ALA A 9 -3.949 -4.126 -16.907 1.00 0.00 C ATOM 103 O ALA A 9 -4.335 -3.480 -15.928 1.00 0.00 O ATOM 104 CB ALA A 9 -4.997 -6.162 -15.857 1.00 0.00 C ATOM 0 H ALA A 9 -2.466 -6.545 -15.977 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.539 -5.894 -17.918 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.961 -5.656 -15.916 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.143 -7.235 -15.979 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.543 -5.966 -14.886 1.00 0.00 H new ATOM 110 N GLY A 10 -3.356 -3.579 -17.946 1.00 0.00 N ATOM 111 CA GLY A 10 -3.226 -2.151 -18.087 1.00 0.00 C ATOM 112 C GLY A 10 -3.680 -1.725 -19.459 1.00 0.00 C ATOM 113 O GLY A 10 -2.885 -1.252 -20.271 1.00 0.00 O ATOM 0 H GLY A 10 -2.952 -4.114 -18.715 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.821 -1.647 -17.325 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.189 -1.855 -17.930 1.00 0.00 H new ATOM 117 N CYS A 11 -4.950 -1.926 -19.726 1.00 0.00 N ATOM 118 CA CYS A 11 -5.521 -1.631 -21.020 1.00 0.00 C ATOM 119 C CYS A 11 -5.947 -0.192 -21.167 1.00 0.00 C ATOM 120 O CYS A 11 -5.981 0.574 -20.204 1.00 0.00 O ATOM 121 CB CYS A 11 -6.706 -2.533 -21.296 1.00 0.00 C ATOM 122 SG CYS A 11 -6.352 -3.861 -22.443 1.00 0.00 S ATOM 0 H CYS A 11 -5.617 -2.299 -19.051 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.730 -1.814 -21.747 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.052 -2.961 -20.355 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.524 -1.931 -21.692 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.421 -4.581 -22.617 1.00 0.00 H new ATOM 127 N THR A 12 -6.286 0.157 -22.388 1.00 0.00 N ATOM 128 CA THR A 12 -6.747 1.473 -22.718 1.00 0.00 C ATOM 129 C THR A 12 -8.240 1.438 -23.011 1.00 0.00 C ATOM 130 O THR A 12 -8.784 0.398 -23.423 1.00 0.00 O ATOM 131 CB THR A 12 -5.977 2.034 -23.939 1.00 0.00 C ATOM 132 OG1 THR A 12 -6.474 3.325 -24.300 1.00 0.00 O ATOM 133 CG2 THR A 12 -6.082 1.101 -25.136 1.00 0.00 C ATOM 0 H THR A 12 -6.246 -0.479 -23.185 1.00 0.00 H new ATOM 0 HA THR A 12 -6.563 2.129 -21.867 1.00 0.00 H new ATOM 0 HB THR A 12 -4.929 2.117 -23.651 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.974 3.664 -25.072 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.531 1.524 -25.976 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.661 0.129 -24.878 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.129 0.981 -25.413 1.00 0.00 H new ATOM 141 N ASP A 13 -8.900 2.558 -22.794 1.00 0.00 N ATOM 142 CA ASP A 13 -10.330 2.667 -23.019 1.00 0.00 C ATOM 143 C ASP A 13 -10.659 2.572 -24.506 1.00 0.00 C ATOM 144 O ASP A 13 -11.712 2.081 -24.880 1.00 0.00 O ATOM 145 CB ASP A 13 -10.874 3.973 -22.428 1.00 0.00 C ATOM 146 CG ASP A 13 -10.290 5.203 -23.085 1.00 0.00 C ATOM 147 OD1 ASP A 13 -9.180 5.624 -22.687 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.926 5.749 -24.000 1.00 0.00 O ATOM 0 H ASP A 13 -8.463 3.416 -22.458 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.814 1.832 -22.512 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.959 3.990 -22.535 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.658 4.000 -21.360 1.00 0.00 H new ATOM 153 N THR A 14 -9.730 3.001 -25.352 1.00 0.00 N ATOM 154 CA THR A 14 -9.924 2.959 -26.802 1.00 0.00 C ATOM 155 C THR A 14 -9.977 1.509 -27.306 1.00 0.00 C ATOM 156 O THR A 14 -10.451 1.223 -28.410 1.00 0.00 O ATOM 157 CB THR A 14 -8.795 3.722 -27.520 1.00 0.00 C ATOM 158 OG1 THR A 14 -8.611 5.000 -26.891 1.00 0.00 O ATOM 159 CG2 THR A 14 -9.132 3.930 -28.987 1.00 0.00 C ATOM 0 H THR A 14 -8.831 3.384 -25.060 1.00 0.00 H new ATOM 0 HA THR A 14 -10.876 3.440 -27.027 1.00 0.00 H new ATOM 0 HB THR A 14 -7.880 3.134 -27.452 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.892 5.487 -27.345 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.320 4.471 -29.474 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.264 2.962 -29.471 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.053 4.506 -29.070 1.00 0.00 H new ATOM 167 N CYS A 15 -9.524 0.610 -26.470 1.00 0.00 N ATOM 168 CA CYS A 15 -9.494 -0.800 -26.788 1.00 0.00 C ATOM 169 C CYS A 15 -10.817 -1.468 -26.406 1.00 0.00 C ATOM 170 O CYS A 15 -11.043 -2.642 -26.672 1.00 0.00 O ATOM 171 CB CYS A 15 -8.346 -1.435 -26.025 1.00 0.00 C ATOM 172 SG CYS A 15 -8.183 -3.206 -26.243 1.00 0.00 S ATOM 0 H CYS A 15 -9.163 0.834 -25.543 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.352 -0.933 -27.861 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -7.416 -0.958 -26.334 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.474 -1.225 -24.963 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.333 -3.709 -26.581 1.00 0.00 H new ATOM 177 N LYS A 16 -11.689 -0.705 -25.791 1.00 0.00 N ATOM 178 CA LYS A 16 -12.954 -1.232 -25.291 1.00 0.00 C ATOM 179 C LYS A 16 -14.065 -1.001 -26.266 1.00 0.00 C ATOM 180 O LYS A 16 -15.235 -1.181 -25.946 1.00 0.00 O ATOM 181 CB LYS A 16 -13.285 -0.554 -23.987 1.00 0.00 C ATOM 182 CG LYS A 16 -12.137 -0.541 -23.011 1.00 0.00 C ATOM 183 CD LYS A 16 -12.125 -1.770 -22.149 1.00 0.00 C ATOM 184 CE LYS A 16 -11.679 -3.042 -22.871 1.00 0.00 C ATOM 185 NZ LYS A 16 -10.253 -2.988 -23.284 1.00 0.00 N ATOM 0 H LYS A 16 -11.552 0.291 -25.620 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.848 -2.307 -25.147 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.593 0.472 -24.188 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.136 -1.059 -23.529 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.196 -0.471 -23.557 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.206 0.345 -22.380 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.463 -1.597 -21.300 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.126 -1.927 -21.747 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.833 -3.901 -22.217 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.304 -3.195 -23.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.188 -3.065 -24.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.837 -2.086 -22.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.734 -3.776 -22.845 1.00 0.00 H new ATOM 199 N GLN A 17 -13.712 -0.608 -27.443 1.00 0.00 N ATOM 200 CA GLN A 17 -14.695 -0.295 -28.430 1.00 0.00 C ATOM 201 C GLN A 17 -15.031 -1.533 -29.236 1.00 0.00 C ATOM 202 O GLN A 17 -14.265 -2.492 -29.263 1.00 0.00 O ATOM 203 CB GLN A 17 -14.198 0.827 -29.331 1.00 0.00 C ATOM 204 CG GLN A 17 -13.504 1.963 -28.582 1.00 0.00 C ATOM 205 CD GLN A 17 -14.318 2.527 -27.421 1.00 0.00 C ATOM 206 OE1 GLN A 17 -14.046 2.082 -26.226 1.00 0.00 O flip ATOM 207 NE2 GLN A 17 -15.152 3.408 -27.615 1.00 0.00 N flip ATOM 0 H GLN A 17 -12.745 -0.495 -27.748 1.00 0.00 H new ATOM 0 HA GLN A 17 -15.603 0.048 -27.935 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.505 0.412 -30.063 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -15.043 1.234 -29.887 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.548 1.603 -28.202 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.285 2.768 -29.284 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.340 3.733 -28.564 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.657 3.815 -26.827 1.00 0.00 H new ATOM 216 N THR A 18 -16.173 -1.510 -29.875 1.00 0.00 N ATOM 217 CA THR A 18 -16.624 -2.630 -30.684 1.00 0.00 C ATOM 218 C THR A 18 -17.280 -2.134 -31.970 1.00 0.00 C ATOM 219 O THR A 18 -18.430 -1.695 -31.954 1.00 0.00 O ATOM 220 CB THR A 18 -17.615 -3.521 -29.902 1.00 0.00 C ATOM 221 OG1 THR A 18 -18.421 -2.704 -29.033 1.00 0.00 O ATOM 222 CG2 THR A 18 -16.875 -4.569 -29.079 1.00 0.00 C ATOM 0 H THR A 18 -16.819 -0.721 -29.854 1.00 0.00 H new ATOM 0 HA THR A 18 -15.748 -3.227 -30.938 1.00 0.00 H new ATOM 0 HB THR A 18 -18.254 -4.035 -30.620 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.049 -3.272 -28.540 1.00 0.00 H new ATOM 0 HG21 THR A 18 -17.596 -5.183 -28.538 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.285 -5.202 -29.742 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.215 -4.073 -28.367 1.00 0.00 H new ATOM 230 N PRO A 19 -16.557 -2.166 -33.103 1.00 0.00 N ATOM 231 CA PRO A 19 -15.176 -2.661 -33.178 1.00 0.00 C ATOM 232 C PRO A 19 -14.188 -1.741 -32.474 1.00 0.00 C ATOM 233 O PRO A 19 -14.458 -0.550 -32.273 1.00 0.00 O ATOM 234 CB PRO A 19 -14.890 -2.699 -34.677 1.00 0.00 C ATOM 235 CG PRO A 19 -15.800 -1.678 -35.252 1.00 0.00 C ATOM 236 CD PRO A 19 -17.040 -1.712 -34.405 1.00 0.00 C ATOM 0 HA PRO A 19 -15.067 -3.627 -32.684 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.847 -2.466 -34.889 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.087 -3.687 -35.094 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.341 -0.690 -35.233 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.031 -1.902 -36.293 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.507 -0.729 -34.339 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.786 -2.392 -34.815 1.00 0.00 H new ATOM 244 N CYS A 20 -13.056 -2.301 -32.107 1.00 0.00 N ATOM 245 CA CYS A 20 -12.030 -1.597 -31.364 1.00 0.00 C ATOM 246 C CYS A 20 -11.489 -0.391 -32.135 1.00 0.00 C ATOM 247 O CYS A 20 -11.596 -0.322 -33.364 1.00 0.00 O ATOM 248 CB CYS A 20 -10.912 -2.556 -31.019 1.00 0.00 C ATOM 249 SG CYS A 20 -9.672 -1.863 -29.936 1.00 0.00 S ATOM 0 H CYS A 20 -12.818 -3.270 -32.318 1.00 0.00 H new ATOM 0 HA CYS A 20 -12.477 -1.212 -30.448 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -11.339 -3.441 -30.547 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.432 -2.886 -31.940 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.759 -2.756 -29.695 1.00 0.00 H new ATOM 254 N GLY A 21 -10.898 0.553 -31.409 1.00 0.00 N ATOM 255 CA GLY A 21 -10.409 1.761 -32.031 1.00 0.00 C ATOM 256 C GLY A 21 -8.894 1.890 -32.026 1.00 0.00 C ATOM 257 O GLY A 21 -8.362 2.853 -32.569 1.00 0.00 O ATOM 0 H GLY A 21 -10.751 0.499 -30.401 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.763 1.796 -33.061 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.838 2.621 -31.517 1.00 0.00 H new ATOM 261 N CYS A 22 -8.190 0.938 -31.417 1.00 0.00 N ATOM 262 CA CYS A 22 -6.722 0.998 -31.390 1.00 0.00 C ATOM 263 C CYS A 22 -6.131 0.835 -32.788 1.00 0.00 C ATOM 264 O CYS A 22 -5.610 1.791 -33.370 1.00 0.00 O ATOM 265 CB CYS A 22 -6.122 -0.055 -30.454 1.00 0.00 C ATOM 266 SG CYS A 22 -6.277 0.315 -28.702 1.00 0.00 S ATOM 0 H CYS A 22 -8.597 0.131 -30.944 1.00 0.00 H new ATOM 0 HA CYS A 22 -6.462 1.985 -31.008 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.603 -1.013 -30.652 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.065 -0.173 -30.694 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.738 -0.642 -28.007 1.00 0.00 H new ATOM 271 N GLY A 23 -6.216 -0.374 -33.325 1.00 0.00 N ATOM 272 CA GLY A 23 -5.672 -0.644 -34.638 1.00 0.00 C ATOM 273 C GLY A 23 -4.154 -0.671 -34.631 1.00 0.00 C ATOM 274 O GLY A 23 -3.547 -1.722 -34.426 1.00 0.00 O ATOM 0 H GLY A 23 -6.654 -1.175 -32.871 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.050 -1.601 -34.997 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.018 0.117 -35.337 1.00 0.00 H new ATOM 278 N SER A 24 -3.551 0.487 -34.830 1.00 0.00 N ATOM 279 CA SER A 24 -2.103 0.601 -34.859 1.00 0.00 C ATOM 280 C SER A 24 -1.601 1.517 -33.730 1.00 0.00 C ATOM 281 O SER A 24 -0.401 1.766 -33.605 1.00 0.00 O ATOM 282 CB SER A 24 -1.652 1.143 -36.216 1.00 0.00 C ATOM 283 OG SER A 24 -2.162 0.356 -37.285 1.00 0.00 O ATOM 0 H SER A 24 -4.045 1.368 -34.975 1.00 0.00 H new ATOM 0 HA SER A 24 -1.676 -0.390 -34.707 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.989 2.174 -36.328 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.563 1.157 -36.260 1.00 0.00 H new ATOM 0 HG SER A 24 -1.858 0.728 -38.139 1.00 0.00 H new ATOM 289 N GLY A 25 -2.524 1.996 -32.907 1.00 0.00 N ATOM 290 CA GLY A 25 -2.164 2.880 -31.816 1.00 0.00 C ATOM 291 C GLY A 25 -2.780 2.424 -30.521 1.00 0.00 C ATOM 292 O GLY A 25 -3.995 2.505 -30.346 1.00 0.00 O ATOM 0 H GLY A 25 -3.520 1.787 -32.976 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.079 2.913 -31.714 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.494 3.894 -32.042 1.00 0.00 H new ATOM 296 N CYS A 26 -1.957 1.948 -29.613 1.00 0.00 N ATOM 297 CA CYS A 26 -2.454 1.392 -28.371 1.00 0.00 C ATOM 298 C CYS A 26 -1.845 2.042 -27.157 1.00 0.00 C ATOM 299 O CYS A 26 -0.813 2.711 -27.230 1.00 0.00 O ATOM 300 CB CYS A 26 -2.124 -0.075 -28.312 1.00 0.00 C ATOM 301 SG CYS A 26 -2.287 -0.907 -29.869 1.00 0.00 S ATOM 0 H CYS A 26 -0.942 1.934 -29.710 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.529 1.569 -28.358 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.102 -0.194 -27.952 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.777 -0.556 -27.583 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.981 -2.162 -29.724 1.00 0.00 H new ATOM 306 N ASN A 27 -2.490 1.808 -26.040 1.00 0.00 N ATOM 307 CA ASN A 27 -2.013 2.234 -24.748 1.00 0.00 C ATOM 308 C ASN A 27 -2.262 1.079 -23.763 1.00 0.00 C ATOM 309 O ASN A 27 -2.296 1.251 -22.550 1.00 0.00 O ATOM 310 CB ASN A 27 -2.721 3.546 -24.316 1.00 0.00 C ATOM 311 CG ASN A 27 -2.158 4.162 -23.037 1.00 0.00 C ATOM 312 OD1 ASN A 27 -1.180 4.907 -23.072 1.00 0.00 O ATOM 313 ND2 ASN A 27 -2.787 3.880 -21.910 1.00 0.00 N ATOM 0 H ASN A 27 -3.378 1.307 -26.003 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.947 2.460 -24.773 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.640 4.273 -25.124 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.783 3.344 -24.173 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.465 4.285 -21.031 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.595 3.258 -21.919 1.00 0.00 H new ATOM 320 N CYS A 28 -2.423 -0.126 -24.333 1.00 0.00 N ATOM 321 CA CYS A 28 -2.655 -1.331 -23.555 1.00 0.00 C ATOM 322 C CYS A 28 -1.381 -2.181 -23.484 1.00 0.00 C ATOM 323 O CYS A 28 -0.424 -1.941 -24.226 1.00 0.00 O ATOM 324 CB CYS A 28 -3.850 -2.145 -24.123 1.00 0.00 C ATOM 325 SG CYS A 28 -3.839 -2.436 -25.923 1.00 0.00 S ATOM 0 H CYS A 28 -2.395 -0.281 -25.341 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.918 -1.035 -22.539 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.877 -3.111 -23.619 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.773 -1.625 -23.865 1.00 0.00 H new ATOM 0 HG CYS A 28 -4.889 -3.126 -26.257 1.00 0.00 H new ATOM 330 N LYS A 29 -1.365 -3.155 -22.589 1.00 0.00 N ATOM 331 CA LYS A 29 -0.185 -4.001 -22.396 1.00 0.00 C ATOM 332 C LYS A 29 -0.155 -5.144 -23.411 1.00 0.00 C ATOM 333 O LYS A 29 -1.156 -5.421 -24.076 1.00 0.00 O ATOM 334 CB LYS A 29 -0.163 -4.568 -20.972 1.00 0.00 C ATOM 335 CG LYS A 29 -0.295 -3.513 -19.877 1.00 0.00 C ATOM 336 CD LYS A 29 0.871 -2.531 -19.876 1.00 0.00 C ATOM 337 CE LYS A 29 2.149 -3.169 -19.372 1.00 0.00 C ATOM 338 NZ LYS A 29 3.251 -2.178 -19.279 1.00 0.00 N ATOM 0 H LYS A 29 -2.152 -3.384 -21.982 1.00 0.00 H new ATOM 0 HA LYS A 29 0.699 -3.382 -22.549 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.974 -5.288 -20.867 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.769 -5.114 -20.825 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.228 -2.966 -20.013 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.353 -4.005 -18.906 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.028 -2.154 -20.886 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.623 -1.674 -19.251 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.974 -3.613 -18.392 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.441 -3.978 -20.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.111 -2.647 -18.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.434 -1.773 -20.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.981 -1.419 -18.622 1.00 0.00 H new ATOM 352 N GLU A 30 0.993 -5.817 -23.509 1.00 0.00 N ATOM 353 CA GLU A 30 1.166 -6.925 -24.453 1.00 0.00 C ATOM 354 C GLU A 30 0.336 -8.139 -24.047 1.00 0.00 C ATOM 355 O GLU A 30 0.087 -9.031 -24.859 1.00 0.00 O ATOM 356 CB GLU A 30 2.638 -7.320 -24.573 1.00 0.00 C ATOM 357 CG GLU A 30 3.247 -7.861 -23.291 1.00 0.00 C ATOM 358 CD GLU A 30 4.624 -8.442 -23.512 1.00 0.00 C ATOM 359 OE1 GLU A 30 4.727 -9.663 -23.767 1.00 0.00 O ATOM 360 OE2 GLU A 30 5.611 -7.684 -23.445 1.00 0.00 O ATOM 0 H GLU A 30 1.819 -5.614 -22.946 1.00 0.00 H new ATOM 0 HA GLU A 30 0.815 -6.577 -25.424 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.737 -8.073 -25.355 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.210 -6.450 -24.894 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.307 -7.061 -22.554 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.593 -8.628 -22.876 1.00 0.00 H new ATOM 367 N ASP A 31 -0.095 -8.164 -22.788 1.00 0.00 N ATOM 368 CA ASP A 31 -0.914 -9.263 -22.268 1.00 0.00 C ATOM 369 C ASP A 31 -2.285 -9.286 -22.905 1.00 0.00 C ATOM 370 O ASP A 31 -3.048 -10.231 -22.719 1.00 0.00 O ATOM 371 CB ASP A 31 -1.052 -9.177 -20.754 1.00 0.00 C ATOM 372 CG ASP A 31 0.116 -9.796 -20.035 1.00 0.00 C ATOM 373 OD1 ASP A 31 0.088 -11.024 -19.808 1.00 0.00 O ATOM 374 OD2 ASP A 31 1.066 -9.063 -19.689 1.00 0.00 O ATOM 0 H ASP A 31 0.109 -7.434 -22.105 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.400 -10.190 -22.524 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.144 -8.132 -20.459 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.971 -9.677 -20.447 1.00 0.00 H new ATOM 379 N CYS A 32 -2.597 -8.240 -23.641 1.00 0.00 N ATOM 380 CA CYS A 32 -3.850 -8.142 -24.351 1.00 0.00 C ATOM 381 C CYS A 32 -3.872 -9.169 -25.495 1.00 0.00 C ATOM 382 O CYS A 32 -2.819 -9.564 -25.995 1.00 0.00 O ATOM 383 CB CYS A 32 -4.005 -6.721 -24.895 1.00 0.00 C ATOM 384 SG CYS A 32 -5.557 -6.400 -25.739 1.00 0.00 S ATOM 0 H CYS A 32 -1.985 -7.433 -23.763 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.681 -8.356 -23.679 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.906 -6.018 -24.068 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.185 -6.520 -25.584 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.578 -5.168 -26.154 1.00 0.00 H new ATOM 389 N ARG A 33 -5.054 -9.611 -25.888 1.00 0.00 N ATOM 390 CA ARG A 33 -5.186 -10.602 -26.961 1.00 0.00 C ATOM 391 C ARG A 33 -6.186 -10.125 -28.010 1.00 0.00 C ATOM 392 O ARG A 33 -6.838 -10.933 -28.677 1.00 0.00 O ATOM 393 CB ARG A 33 -5.649 -11.953 -26.391 1.00 0.00 C ATOM 394 CG ARG A 33 -4.706 -12.570 -25.365 1.00 0.00 C ATOM 395 CD ARG A 33 -3.361 -12.928 -25.980 1.00 0.00 C ATOM 396 NE ARG A 33 -2.441 -13.496 -24.988 1.00 0.00 N ATOM 397 CZ ARG A 33 -1.307 -12.902 -24.571 1.00 0.00 C ATOM 398 NH1 ARG A 33 -0.956 -11.711 -25.051 1.00 0.00 N ATOM 399 NH2 ARG A 33 -0.534 -13.505 -23.674 1.00 0.00 N ATOM 0 H ARG A 33 -5.940 -9.305 -25.486 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.209 -10.726 -27.429 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.628 -11.821 -25.931 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.776 -12.655 -27.215 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.555 -11.871 -24.542 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.163 -13.465 -24.943 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.510 -13.643 -26.789 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.915 -12.037 -26.421 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.677 -14.404 -24.587 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.547 -11.244 -25.738 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.096 -11.266 -24.731 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.800 -14.417 -23.302 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.325 -13.056 -23.357 1.00 0.00 H new ATOM 413 N CYS A 34 -6.277 -8.820 -28.186 1.00 0.00 N ATOM 414 CA CYS A 34 -7.250 -8.254 -29.100 1.00 0.00 C ATOM 415 C CYS A 34 -6.712 -8.241 -30.512 1.00 0.00 C ATOM 416 O CYS A 34 -5.766 -7.526 -30.814 1.00 0.00 O ATOM 417 CB CYS A 34 -7.626 -6.841 -28.688 1.00 0.00 C ATOM 418 SG CYS A 34 -9.282 -6.357 -29.201 1.00 0.00 S ATOM 0 H CYS A 34 -5.691 -8.134 -27.710 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.141 -8.881 -29.062 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.551 -6.756 -27.604 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.905 -6.143 -29.113 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.520 -5.141 -28.807 1.00 0.00 H new ATOM 423 N GLN A 35 -7.335 -9.016 -31.377 1.00 0.00 N ATOM 424 CA GLN A 35 -6.917 -9.130 -32.771 1.00 0.00 C ATOM 425 C GLN A 35 -7.044 -7.797 -33.499 1.00 0.00 C ATOM 426 O GLN A 35 -6.410 -7.578 -34.531 1.00 0.00 O ATOM 427 CB GLN A 35 -7.754 -10.189 -33.488 1.00 0.00 C ATOM 428 CG GLN A 35 -7.675 -11.567 -32.855 1.00 0.00 C ATOM 429 CD GLN A 35 -6.264 -12.106 -32.827 1.00 0.00 C ATOM 430 OE1 GLN A 35 -5.820 -12.769 -33.762 1.00 0.00 O ATOM 431 NE2 GLN A 35 -5.536 -11.827 -31.744 1.00 0.00 N ATOM 0 H GLN A 35 -8.146 -9.587 -31.139 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.868 -9.427 -32.780 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.795 -9.866 -33.504 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.426 -10.257 -34.525 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.064 -11.520 -31.838 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.314 -12.256 -33.408 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.938 -11.274 -30.988 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.577 -12.167 -31.673 1.00 0.00 H new ATOM 440 N SER A 36 -7.855 -6.912 -32.949 1.00 0.00 N ATOM 441 CA SER A 36 -8.098 -5.613 -33.545 1.00 0.00 C ATOM 442 C SER A 36 -6.843 -4.729 -33.540 1.00 0.00 C ATOM 443 O SER A 36 -6.684 -3.863 -34.403 1.00 0.00 O ATOM 444 CB SER A 36 -9.241 -4.925 -32.823 1.00 0.00 C ATOM 445 OG SER A 36 -10.414 -5.726 -32.866 1.00 0.00 O ATOM 0 H SER A 36 -8.362 -7.074 -32.079 1.00 0.00 H new ATOM 0 HA SER A 36 -8.370 -5.769 -34.589 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.962 -4.735 -31.787 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.438 -3.957 -33.283 1.00 0.00 H new ATOM 0 HG SER A 36 -11.140 -5.268 -32.394 1.00 0.00 H new ATOM 451 N CYS A 37 -5.967 -4.944 -32.576 1.00 0.00 N ATOM 452 CA CYS A 37 -4.728 -4.184 -32.493 1.00 0.00 C ATOM 453 C CYS A 37 -3.542 -5.121 -32.335 1.00 0.00 C ATOM 454 O CYS A 37 -2.483 -4.741 -31.827 1.00 0.00 O ATOM 455 CB CYS A 37 -4.797 -3.171 -31.341 1.00 0.00 C ATOM 456 SG CYS A 37 -5.577 -3.792 -29.826 1.00 0.00 S ATOM 0 H CYS A 37 -6.088 -5.638 -31.838 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.594 -3.627 -33.420 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.785 -2.843 -31.103 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.345 -2.292 -31.681 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.578 -2.856 -28.924 1.00 0.00 H new ATOM 461 N LYS A 38 -3.712 -6.341 -32.818 1.00 0.00 N ATOM 462 CA LYS A 38 -2.689 -7.366 -32.702 1.00 0.00 C ATOM 463 C LYS A 38 -2.436 -8.025 -34.063 1.00 0.00 C ATOM 464 O LYS A 38 -2.599 -9.240 -34.221 1.00 0.00 O ATOM 465 CB LYS A 38 -3.144 -8.419 -31.691 1.00 0.00 C ATOM 466 CG LYS A 38 -2.058 -9.363 -31.218 1.00 0.00 C ATOM 467 CD LYS A 38 -1.225 -8.763 -30.096 1.00 0.00 C ATOM 468 CE LYS A 38 -1.998 -8.694 -28.814 1.00 0.00 C ATOM 469 NZ LYS A 38 -1.126 -8.293 -27.684 1.00 0.00 N ATOM 0 H LYS A 38 -4.558 -6.647 -33.299 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.760 -6.908 -32.362 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.565 -7.910 -30.824 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.946 -9.007 -32.137 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.511 -10.293 -30.875 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.408 -9.616 -32.056 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.326 -9.362 -29.948 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.898 -7.762 -30.379 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.816 -7.981 -28.917 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.447 -9.665 -28.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.510 -8.675 -26.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.167 -8.667 -27.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.088 -7.255 -27.626 1.00 0.00 H new ATOM 528 N CYS A 43 -0.564 -5.490 -41.633 1.00 0.00 N ATOM 529 CA CYS A 43 -1.643 -5.404 -42.591 1.00 0.00 C ATOM 530 C CYS A 43 -2.763 -4.542 -42.059 1.00 0.00 C ATOM 531 O CYS A 43 -3.049 -4.550 -40.861 1.00 0.00 O ATOM 532 CB CYS A 43 -2.165 -6.785 -42.965 1.00 0.00 C ATOM 533 SG CYS A 43 -1.194 -7.634 -44.231 1.00 0.00 S ATOM 0 HA CYS A 43 -1.246 -4.940 -43.494 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.192 -7.405 -42.069 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.192 -6.689 -43.316 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.720 -8.798 -44.474 1.00 0.00 H new ATOM 538 N THR A 44 -3.385 -3.797 -42.948 1.00 0.00 N ATOM 539 CA THR A 44 -4.472 -2.915 -42.583 1.00 0.00 C ATOM 540 C THR A 44 -5.699 -3.708 -42.157 1.00 0.00 C ATOM 541 O THR A 44 -5.864 -4.878 -42.534 1.00 0.00 O ATOM 542 CB THR A 44 -4.861 -2.001 -43.759 1.00 0.00 C ATOM 543 OG1 THR A 44 -5.160 -2.801 -44.916 1.00 0.00 O ATOM 544 CG2 THR A 44 -3.740 -1.032 -44.086 1.00 0.00 C ATOM 0 H THR A 44 -3.152 -3.786 -43.941 1.00 0.00 H new ATOM 0 HA THR A 44 -4.123 -2.306 -41.749 1.00 0.00 H new ATOM 0 HB THR A 44 -5.741 -1.426 -43.471 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.409 -2.217 -45.662 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.039 -0.397 -44.920 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.530 -0.411 -43.215 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.844 -1.590 -44.358 1.00 0.00 H new ATOM 552 N ASP A 45 -6.565 -3.072 -41.386 1.00 0.00 N ATOM 553 CA ASP A 45 -7.809 -3.695 -40.954 1.00 0.00 C ATOM 554 C ASP A 45 -8.734 -3.858 -42.148 1.00 0.00 C ATOM 555 O ASP A 45 -9.664 -4.663 -42.131 1.00 0.00 O ATOM 556 CB ASP A 45 -8.487 -2.853 -39.868 1.00 0.00 C ATOM 557 CG ASP A 45 -9.048 -1.540 -40.384 1.00 0.00 C ATOM 558 OD1 ASP A 45 -8.292 -0.764 -40.998 1.00 0.00 O ATOM 559 OD2 ASP A 45 -10.242 -1.274 -40.154 1.00 0.00 O ATOM 0 H ASP A 45 -6.430 -2.120 -41.044 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.586 -4.675 -40.533 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.294 -3.433 -39.420 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.766 -2.646 -39.077 1.00 0.00 H new ATOM 564 N VAL A 46 -8.448 -3.090 -43.185 1.00 0.00 N ATOM 565 CA VAL A 46 -9.189 -3.131 -44.431 1.00 0.00 C ATOM 566 C VAL A 46 -8.915 -4.443 -45.165 1.00 0.00 C ATOM 567 O VAL A 46 -9.780 -4.975 -45.860 1.00 0.00 O ATOM 568 CB VAL A 46 -8.800 -1.942 -45.331 1.00 0.00 C ATOM 569 CG1 VAL A 46 -9.716 -1.847 -46.540 1.00 0.00 C ATOM 570 CG2 VAL A 46 -8.826 -0.651 -44.532 1.00 0.00 C ATOM 0 H VAL A 46 -7.685 -2.413 -43.184 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.252 -3.065 -44.200 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.786 -2.106 -45.697 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.418 -0.999 -47.157 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.643 -2.764 -47.124 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.745 -1.709 -46.207 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.550 0.182 -45.178 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.829 -0.487 -44.138 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.118 -0.720 -43.706 1.00 0.00 H new ATOM 580 N CYS A 47 -7.711 -4.960 -44.990 1.00 0.00 N ATOM 581 CA CYS A 47 -7.321 -6.229 -45.588 1.00 0.00 C ATOM 582 C CYS A 47 -7.920 -7.388 -44.799 1.00 0.00 C ATOM 583 O CYS A 47 -8.151 -8.477 -45.328 1.00 0.00 O ATOM 584 CB CYS A 47 -5.796 -6.345 -45.616 1.00 0.00 C ATOM 585 SG CYS A 47 -5.172 -7.957 -46.138 1.00 0.00 S ATOM 0 H CYS A 47 -6.980 -4.517 -44.434 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.699 -6.269 -46.610 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.399 -5.582 -46.286 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.410 -6.126 -44.620 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.116 -8.844 -46.027 1.00 0.00 H new ATOM 590 N LYS A 48 -8.186 -7.142 -43.533 1.00 0.00 N ATOM 591 CA LYS A 48 -8.747 -8.159 -42.669 1.00 0.00 C ATOM 592 C LYS A 48 -10.271 -8.159 -42.766 1.00 0.00 C ATOM 593 O LYS A 48 -10.951 -8.939 -42.096 1.00 0.00 O ATOM 594 CB LYS A 48 -8.290 -7.935 -41.224 1.00 0.00 C ATOM 595 CG LYS A 48 -6.778 -7.744 -41.083 1.00 0.00 C ATOM 596 CD LYS A 48 -5.998 -8.967 -41.571 1.00 0.00 C ATOM 597 CE LYS A 48 -4.514 -8.711 -41.574 1.00 0.00 C ATOM 598 NZ LYS A 48 -3.749 -9.905 -42.005 1.00 0.00 N ATOM 0 H LYS A 48 -8.022 -6.244 -43.079 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.388 -9.135 -42.994 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.798 -7.058 -40.823 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.598 -8.787 -40.618 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.469 -6.866 -41.651 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.533 -7.551 -40.039 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.220 -9.820 -40.930 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.325 -9.230 -42.577 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.291 -7.877 -42.239 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.194 -8.416 -40.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.732 -9.688 -41.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.942 -10.694 -41.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.035 -10.172 -42.969 1.00 0.00 H new ATOM 612 N GLN A 49 -10.797 -7.273 -43.611 1.00 0.00 N ATOM 613 CA GLN A 49 -12.227 -7.166 -43.840 1.00 0.00 C ATOM 614 C GLN A 49 -12.773 -8.399 -44.538 1.00 0.00 C ATOM 615 O GLN A 49 -12.026 -9.203 -45.096 1.00 0.00 O ATOM 616 CB GLN A 49 -12.541 -5.944 -44.693 1.00 0.00 C ATOM 617 CG GLN A 49 -12.499 -4.631 -43.950 1.00 0.00 C ATOM 618 CD GLN A 49 -12.787 -3.449 -44.862 1.00 0.00 C ATOM 619 OE1 GLN A 49 -12.337 -2.275 -44.463 1.00 0.00 O flip ATOM 620 NE2 GLN A 49 -13.445 -3.589 -45.894 1.00 0.00 N flip ATOM 0 H GLN A 49 -10.240 -6.612 -44.153 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.702 -7.072 -42.863 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.831 -5.902 -45.519 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -13.532 -6.067 -45.130 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.228 -4.650 -43.140 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.518 -4.505 -43.493 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.774 -4.515 -46.167 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.660 -2.779 -46.475 1.00 0.00 H new ATOM 629 N THR A 50 -14.074 -8.539 -44.502 1.00 0.00 N ATOM 630 CA THR A 50 -14.748 -9.623 -45.166 1.00 0.00 C ATOM 631 C THR A 50 -16.150 -9.171 -45.573 1.00 0.00 C ATOM 632 O THR A 50 -17.028 -9.023 -44.723 1.00 0.00 O ATOM 633 CB THR A 50 -14.839 -10.869 -44.264 1.00 0.00 C ATOM 634 OG1 THR A 50 -13.524 -11.233 -43.805 1.00 0.00 O ATOM 635 CG2 THR A 50 -15.443 -12.032 -45.030 1.00 0.00 C ATOM 0 H THR A 50 -14.698 -7.900 -44.008 1.00 0.00 H new ATOM 0 HA THR A 50 -14.172 -9.896 -46.051 1.00 0.00 H new ATOM 0 HB THR A 50 -15.475 -10.636 -43.410 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.586 -12.025 -43.231 1.00 0.00 H new ATOM 0 HG21 THR A 50 -15.501 -12.905 -44.380 1.00 0.00 H new ATOM 0 HG22 THR A 50 -16.444 -11.764 -45.368 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.818 -12.263 -45.893 1.00 0.00 H new ATOM 643 N PRO A 51 -16.380 -8.918 -46.877 1.00 0.00 N ATOM 644 CA PRO A 51 -15.367 -9.092 -47.930 1.00 0.00 C ATOM 645 C PRO A 51 -14.241 -8.076 -47.817 1.00 0.00 C ATOM 646 O PRO A 51 -14.454 -6.940 -47.388 1.00 0.00 O ATOM 647 CB PRO A 51 -16.152 -8.869 -49.223 1.00 0.00 C ATOM 648 CG PRO A 51 -17.305 -8.016 -48.827 1.00 0.00 C ATOM 649 CD PRO A 51 -17.647 -8.405 -47.415 1.00 0.00 C ATOM 0 HA PRO A 51 -14.884 -10.067 -47.872 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.538 -8.378 -49.978 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.488 -9.814 -49.650 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -17.047 -6.959 -48.888 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -18.154 -8.176 -49.492 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.009 -7.552 -46.841 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.430 -9.163 -47.387 1.00 0.00 H new ATOM 657 N CYS A 52 -13.052 -8.492 -48.187 1.00 0.00 N ATOM 658 CA CYS A 52 -11.889 -7.635 -48.104 1.00 0.00 C ATOM 659 C CYS A 52 -12.016 -6.461 -49.068 1.00 0.00 C ATOM 660 O CYS A 52 -12.439 -6.628 -50.221 1.00 0.00 O ATOM 661 CB CYS A 52 -10.628 -8.432 -48.403 1.00 0.00 C ATOM 662 SG CYS A 52 -9.103 -7.496 -48.216 1.00 0.00 S ATOM 0 H CYS A 52 -12.863 -9.426 -48.551 1.00 0.00 H new ATOM 0 HA CYS A 52 -11.822 -7.239 -47.091 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.593 -9.298 -47.742 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.685 -8.812 -49.423 1.00 0.00 H new ATOM 0 HG CYS A 52 -8.109 -8.187 -48.689 1.00 0.00 H new ATOM 667 N GLY A 53 -11.665 -5.281 -48.596 1.00 0.00 N ATOM 668 CA GLY A 53 -11.764 -4.101 -49.422 1.00 0.00 C ATOM 669 C GLY A 53 -10.459 -3.362 -49.509 1.00 0.00 C ATOM 670 O GLY A 53 -10.439 -2.145 -49.719 1.00 0.00 O ATOM 0 H GLY A 53 -11.312 -5.117 -47.653 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.086 -4.386 -50.423 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.529 -3.439 -49.017 1.00 0.00 H new ATOM 674 N CYS A 54 -9.359 -4.093 -49.364 1.00 0.00 N ATOM 675 CA CYS A 54 -8.042 -3.491 -49.380 1.00 0.00 C ATOM 676 C CYS A 54 -7.770 -2.820 -50.716 1.00 0.00 C ATOM 677 O CYS A 54 -7.424 -1.658 -50.757 1.00 0.00 O ATOM 678 CB CYS A 54 -6.957 -4.525 -49.075 1.00 0.00 C ATOM 679 SG CYS A 54 -5.365 -3.798 -48.586 1.00 0.00 S ATOM 0 H CYS A 54 -9.359 -5.105 -49.234 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.017 -2.731 -48.599 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.307 -5.180 -48.277 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.805 -5.149 -49.956 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.510 -4.747 -48.346 1.00 0.00 H new ATOM 684 N ALA A 55 -7.977 -3.545 -51.806 1.00 0.00 N ATOM 685 CA ALA A 55 -7.722 -3.006 -53.140 1.00 0.00 C ATOM 686 C ALA A 55 -8.679 -1.864 -53.464 1.00 0.00 C ATOM 687 O ALA A 55 -8.347 -0.960 -54.231 1.00 0.00 O ATOM 688 CB ALA A 55 -7.837 -4.104 -54.185 1.00 0.00 C ATOM 0 H ALA A 55 -8.320 -4.506 -51.796 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.707 -2.610 -53.155 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.644 -3.687 -55.174 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.108 -4.886 -53.973 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.841 -4.527 -54.159 1.00 0.00 H new ATOM 694 N THR A 56 -9.857 -1.910 -52.864 1.00 0.00 N ATOM 695 CA THR A 56 -10.875 -0.896 -53.074 1.00 0.00 C ATOM 696 C THR A 56 -10.467 0.443 -52.443 1.00 0.00 C ATOM 697 O THR A 56 -10.609 1.501 -53.060 1.00 0.00 O ATOM 698 CB THR A 56 -12.221 -1.360 -52.483 1.00 0.00 C ATOM 699 OG1 THR A 56 -12.489 -2.706 -52.916 1.00 0.00 O ATOM 700 CG2 THR A 56 -13.356 -0.448 -52.934 1.00 0.00 C ATOM 0 H THR A 56 -10.133 -2.650 -52.219 1.00 0.00 H new ATOM 0 HA THR A 56 -10.982 -0.750 -54.149 1.00 0.00 H new ATOM 0 HB THR A 56 -12.157 -1.320 -51.396 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.343 -3.006 -52.541 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.295 -0.796 -52.504 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.159 0.571 -52.599 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.426 -0.465 -54.022 1.00 0.00 H new ATOM 708 N SER A 57 -9.955 0.389 -51.225 1.00 0.00 N ATOM 709 CA SER A 57 -9.530 1.593 -50.527 1.00 0.00 C ATOM 710 C SER A 57 -8.103 1.964 -50.926 1.00 0.00 C ATOM 711 O SER A 57 -7.733 3.140 -50.957 1.00 0.00 O ATOM 712 CB SER A 57 -9.620 1.379 -49.011 1.00 0.00 C ATOM 713 OG SER A 57 -9.233 2.545 -48.295 1.00 0.00 O ATOM 0 H SER A 57 -9.823 -0.475 -50.698 1.00 0.00 H new ATOM 0 HA SER A 57 -10.191 2.413 -50.807 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.640 1.107 -48.741 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.981 0.545 -48.722 1.00 0.00 H new ATOM 0 HG SER A 57 -9.303 2.376 -47.332 1.00 0.00 H new ATOM 719 N GLY A 58 -7.327 0.958 -51.238 1.00 0.00 N ATOM 720 CA GLY A 58 -5.954 1.153 -51.600 1.00 0.00 C ATOM 721 C GLY A 58 -5.102 0.058 -51.029 1.00 0.00 C ATOM 722 O GLY A 58 -4.892 0.004 -49.814 1.00 0.00 O ATOM 0 H GLY A 58 -7.632 -0.015 -51.247 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.856 1.170 -52.685 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.609 2.120 -51.234 1.00 0.00 H new ATOM 726 N CYS A 59 -4.651 -0.840 -51.888 1.00 0.00 N ATOM 727 CA CYS A 59 -3.851 -1.972 -51.465 1.00 0.00 C ATOM 728 C CYS A 59 -2.587 -1.479 -50.776 1.00 0.00 C ATOM 729 O CYS A 59 -1.727 -0.856 -51.399 1.00 0.00 O ATOM 730 CB CYS A 59 -3.510 -2.849 -52.668 1.00 0.00 C ATOM 731 SG CYS A 59 -2.965 -4.515 -52.242 1.00 0.00 S ATOM 0 H CYS A 59 -4.829 -0.804 -52.892 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.419 -2.573 -50.755 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.387 -2.920 -53.311 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.727 -2.361 -53.249 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.703 -5.177 -53.330 1.00 0.00 H new ATOM 736 N ASN A 60 -2.492 -1.735 -49.486 1.00 0.00 N ATOM 737 CA ASN A 60 -1.374 -1.243 -48.703 1.00 0.00 C ATOM 738 C ASN A 60 -0.298 -2.309 -48.538 1.00 0.00 C ATOM 739 O ASN A 60 0.881 -1.991 -48.400 1.00 0.00 O ATOM 740 CB ASN A 60 -1.862 -0.752 -47.336 1.00 0.00 C ATOM 741 CG ASN A 60 -0.846 0.129 -46.628 1.00 0.00 C ATOM 742 OD1 ASN A 60 -0.824 1.347 -46.819 1.00 0.00 O ATOM 743 ND2 ASN A 60 -0.013 -0.467 -45.801 1.00 0.00 N ATOM 0 H ASN A 60 -3.174 -2.280 -48.958 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.928 -0.406 -49.240 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.790 -0.196 -47.465 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.091 -1.612 -46.707 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.681 0.081 -45.293 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.061 -1.477 -45.669 1.00 0.00 H new ATOM 750 N CYS A 61 -0.701 -3.570 -48.564 1.00 0.00 N ATOM 751 CA CYS A 61 0.244 -4.666 -48.422 1.00 0.00 C ATOM 752 C CYS A 61 0.764 -5.102 -49.794 1.00 0.00 C ATOM 753 O CYS A 61 0.721 -4.330 -50.757 1.00 0.00 O ATOM 754 CB CYS A 61 -0.404 -5.846 -47.686 1.00 0.00 C ATOM 755 SG CYS A 61 -1.814 -6.578 -48.541 1.00 0.00 S ATOM 0 H CYS A 61 -1.672 -3.859 -48.682 1.00 0.00 H new ATOM 0 HA CYS A 61 1.090 -4.319 -47.828 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.350 -6.618 -47.528 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.727 -5.510 -46.701 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.284 -7.565 -47.837 1.00 0.00 H new ATOM 760 N THR A 62 1.268 -6.316 -49.881 1.00 0.00 N ATOM 761 CA THR A 62 1.796 -6.827 -51.124 1.00 0.00 C ATOM 762 C THR A 62 0.961 -7.997 -51.641 1.00 0.00 C ATOM 763 O THR A 62 0.369 -8.738 -50.862 1.00 0.00 O ATOM 764 CB THR A 62 3.263 -7.271 -50.957 1.00 0.00 C ATOM 765 OG1 THR A 62 3.380 -8.136 -49.820 1.00 0.00 O ATOM 766 CG2 THR A 62 4.175 -6.067 -50.768 1.00 0.00 C ATOM 0 H THR A 62 1.322 -6.969 -49.099 1.00 0.00 H new ATOM 0 HA THR A 62 1.751 -6.018 -51.853 1.00 0.00 H new ATOM 0 HB THR A 62 3.565 -7.802 -51.860 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.313 -8.418 -49.718 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.205 -6.405 -50.652 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.103 -5.416 -51.639 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.872 -5.517 -49.877 1.00 0.00 H new ATOM 774 N ASP A 63 0.932 -8.161 -52.964 1.00 0.00 N ATOM 775 CA ASP A 63 0.190 -9.258 -53.618 1.00 0.00 C ATOM 776 C ASP A 63 0.713 -10.620 -53.168 1.00 0.00 C ATOM 777 O ASP A 63 0.059 -11.644 -53.342 1.00 0.00 O ATOM 778 CB ASP A 63 0.318 -9.148 -55.140 1.00 0.00 C ATOM 779 CG ASP A 63 -0.433 -7.978 -55.728 1.00 0.00 C ATOM 780 OD1 ASP A 63 -1.376 -8.211 -56.484 1.00 0.00 O ATOM 781 OD2 ASP A 63 -0.071 -6.822 -55.441 1.00 0.00 O ATOM 0 H ASP A 63 1.417 -7.545 -53.616 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.857 -9.171 -53.329 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.372 -9.060 -55.402 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.048 -10.069 -55.594 1.00 0.00 H new ATOM 786 N ASP A 64 1.907 -10.606 -52.604 1.00 0.00 N ATOM 787 CA ASP A 64 2.573 -11.799 -52.083 1.00 0.00 C ATOM 788 C ASP A 64 1.856 -12.325 -50.818 1.00 0.00 C ATOM 789 O ASP A 64 2.164 -13.410 -50.324 1.00 0.00 O ATOM 790 CB ASP A 64 4.019 -11.440 -51.750 1.00 0.00 C ATOM 791 CG ASP A 64 4.914 -12.642 -51.626 1.00 0.00 C ATOM 792 OD1 ASP A 64 5.255 -13.232 -52.664 1.00 0.00 O ATOM 793 OD2 ASP A 64 5.316 -12.980 -50.496 1.00 0.00 O ATOM 0 H ASP A 64 2.455 -9.754 -52.490 1.00 0.00 H new ATOM 0 HA ASP A 64 2.542 -12.586 -52.836 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.411 -10.782 -52.525 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.042 -10.880 -50.815 1.00 0.00 H new ATOM 798 N CYS A 65 0.903 -11.530 -50.309 1.00 0.00 N ATOM 799 CA CYS A 65 0.114 -11.879 -49.116 1.00 0.00 C ATOM 800 C CYS A 65 -0.695 -13.165 -49.352 1.00 0.00 C ATOM 801 O CYS A 65 -0.961 -13.540 -50.498 1.00 0.00 O ATOM 802 CB CYS A 65 -0.838 -10.707 -48.765 1.00 0.00 C ATOM 803 SG CYS A 65 -1.813 -10.911 -47.240 1.00 0.00 S ATOM 0 H CYS A 65 0.657 -10.626 -50.713 1.00 0.00 H new ATOM 0 HA CYS A 65 0.796 -12.056 -48.284 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.246 -9.796 -48.677 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.526 -10.560 -49.597 1.00 0.00 H new ATOM 0 HG CYS A 65 -2.563 -9.864 -47.061 1.00 0.00 H new ATOM 808 N LYS A 66 -1.088 -13.834 -48.265 1.00 0.00 N ATOM 809 CA LYS A 66 -1.873 -15.066 -48.365 1.00 0.00 C ATOM 810 C LYS A 66 -3.331 -14.755 -48.697 1.00 0.00 C ATOM 811 O LYS A 66 -4.149 -15.657 -48.883 1.00 0.00 O ATOM 812 CB LYS A 66 -1.768 -15.893 -47.068 1.00 0.00 C ATOM 813 CG LYS A 66 -2.415 -15.256 -45.848 1.00 0.00 C ATOM 814 CD LYS A 66 -3.803 -15.840 -45.572 1.00 0.00 C ATOM 815 CE LYS A 66 -4.493 -15.119 -44.428 1.00 0.00 C ATOM 816 NZ LYS A 66 -5.877 -15.613 -44.218 1.00 0.00 N ATOM 0 H LYS A 66 -0.877 -13.545 -47.310 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.461 -15.664 -49.178 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.227 -16.867 -47.237 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.714 -16.070 -46.852 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.777 -15.407 -44.977 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.497 -14.180 -46.000 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.415 -15.767 -46.471 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.712 -16.900 -45.333 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.916 -15.254 -43.513 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.517 -14.049 -44.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.314 -15.096 -43.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.435 -15.461 -45.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.853 -16.629 -43.996 1.00 0.00 H new ATOM 830 N CYS A 67 -3.646 -13.476 -48.763 1.00 0.00 N ATOM 831 CA CYS A 67 -4.980 -13.036 -49.082 1.00 0.00 C ATOM 832 C CYS A 67 -5.172 -13.024 -50.594 1.00 0.00 C ATOM 833 O CYS A 67 -4.358 -12.463 -51.325 1.00 0.00 O ATOM 834 CB CYS A 67 -5.230 -11.644 -48.505 1.00 0.00 C ATOM 835 SG CYS A 67 -6.951 -11.113 -48.586 1.00 0.00 S ATOM 0 H CYS A 67 -2.983 -12.719 -48.597 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.697 -13.727 -48.639 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.905 -11.630 -47.465 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.613 -10.924 -49.042 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.063 -9.924 -48.072 1.00 0.00 H new ATOM 840 N GLN A 68 -6.243 -13.648 -51.062 1.00 0.00 N ATOM 841 CA GLN A 68 -6.510 -13.734 -52.496 1.00 0.00 C ATOM 842 C GLN A 68 -7.561 -12.723 -52.942 1.00 0.00 C ATOM 843 O GLN A 68 -8.066 -12.794 -54.056 1.00 0.00 O ATOM 844 CB GLN A 68 -6.923 -15.172 -52.890 1.00 0.00 C ATOM 845 CG GLN A 68 -7.992 -15.825 -51.992 1.00 0.00 C ATOM 846 CD GLN A 68 -9.381 -15.215 -52.136 1.00 0.00 C ATOM 847 OE1 GLN A 68 -9.742 -14.277 -51.414 1.00 0.00 O ATOM 848 NE2 GLN A 68 -10.163 -15.737 -53.058 1.00 0.00 N ATOM 0 H GLN A 68 -6.942 -14.102 -50.474 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.585 -13.486 -53.016 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.294 -15.157 -53.915 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.033 -15.802 -52.883 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.048 -16.888 -52.226 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.677 -15.743 -50.952 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.828 -16.510 -53.633 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.104 -15.368 -53.197 1.00 0.00 H new ATOM 857 N SER A 69 -7.872 -11.776 -52.080 1.00 0.00 N ATOM 858 CA SER A 69 -8.894 -10.796 -52.387 1.00 0.00 C ATOM 859 C SER A 69 -8.323 -9.561 -53.103 1.00 0.00 C ATOM 860 O SER A 69 -8.820 -9.167 -54.155 1.00 0.00 O ATOM 861 CB SER A 69 -9.622 -10.392 -51.112 1.00 0.00 C ATOM 862 OG SER A 69 -10.124 -11.540 -50.438 1.00 0.00 O ATOM 0 H SER A 69 -7.434 -11.664 -51.166 1.00 0.00 H new ATOM 0 HA SER A 69 -9.601 -11.259 -53.076 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.943 -9.846 -50.456 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.443 -9.717 -51.354 1.00 0.00 H new ATOM 0 HG SER A 69 -9.952 -12.339 -50.979 1.00 0.00 H new ATOM 868 N CYS A 70 -7.282 -8.964 -52.543 1.00 0.00 N ATOM 869 CA CYS A 70 -6.701 -7.750 -53.120 1.00 0.00 C ATOM 870 C CYS A 70 -5.452 -8.040 -53.962 1.00 0.00 C ATOM 871 O CYS A 70 -4.803 -7.118 -54.464 1.00 0.00 O ATOM 872 CB CYS A 70 -6.376 -6.760 -52.010 1.00 0.00 C ATOM 873 SG CYS A 70 -5.596 -7.511 -50.574 1.00 0.00 S ATOM 0 H CYS A 70 -6.821 -9.294 -51.695 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.441 -7.318 -53.794 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.718 -5.987 -52.407 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.295 -6.266 -51.696 1.00 0.00 H new ATOM 0 HG CYS A 70 -5.163 -6.579 -49.778 1.00 0.00 H new ATOM 878 N SER A 71 -5.134 -9.308 -54.135 1.00 0.00 N ATOM 879 CA SER A 71 -3.959 -9.703 -54.893 1.00 0.00 C ATOM 880 C SER A 71 -4.292 -9.955 -56.368 1.00 0.00 C ATOM 881 O SER A 71 -5.450 -10.209 -56.723 1.00 0.00 O ATOM 882 CB SER A 71 -3.342 -10.944 -54.263 1.00 0.00 C ATOM 883 OG SER A 71 -4.348 -11.878 -53.920 1.00 0.00 O ATOM 0 H SER A 71 -5.675 -10.087 -53.760 1.00 0.00 H new ATOM 0 HA SER A 71 -3.241 -8.884 -54.862 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.636 -11.399 -54.958 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.778 -10.665 -53.373 1.00 0.00 H new ATOM 0 HG SER A 71 -4.231 -12.158 -52.988 1.00 0.00 H new ATOM 889 N THR A 72 -3.277 -9.857 -57.212 1.00 0.00 N ATOM 890 CA THR A 72 -3.410 -10.079 -58.639 1.00 0.00 C ATOM 891 C THR A 72 -3.703 -11.538 -58.960 1.00 0.00 C ATOM 892 O THR A 72 -2.932 -12.445 -58.606 1.00 0.00 O ATOM 893 CB THR A 72 -2.139 -9.634 -59.385 1.00 0.00 C ATOM 894 OG1 THR A 72 -0.981 -9.970 -58.607 1.00 0.00 O ATOM 895 CG2 THR A 72 -2.160 -8.140 -59.645 1.00 0.00 C ATOM 0 H THR A 72 -2.329 -9.619 -56.920 1.00 0.00 H new ATOM 0 HA THR A 72 -4.255 -9.477 -58.975 1.00 0.00 H new ATOM 0 HB THR A 72 -2.103 -10.152 -60.344 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.883 -9.329 -57.872 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.252 -7.850 -60.173 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.029 -7.889 -60.253 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.214 -7.606 -58.696 1.00 0.00 H new ATOM 903 N ALA A 73 -4.807 -11.754 -59.634 1.00 0.00 N ATOM 904 CA ALA A 73 -5.243 -13.078 -60.006 1.00 0.00 C ATOM 905 C ALA A 73 -4.342 -13.688 -61.072 1.00 0.00 C ATOM 906 O ALA A 73 -3.815 -12.987 -61.936 1.00 0.00 O ATOM 907 CB ALA A 73 -6.667 -13.013 -60.522 1.00 0.00 C ATOM 0 H ALA A 73 -5.433 -11.010 -59.942 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.191 -13.712 -59.121 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.998 -14.013 -60.804 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.319 -12.621 -59.742 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.709 -12.358 -61.392 1.00 0.00 H new ATOM 913 N CYS A 74 -4.131 -14.993 -60.972 1.00 0.00 N ATOM 914 CA CYS A 74 -3.417 -15.732 -62.000 1.00 0.00 C ATOM 915 C CYS A 74 -4.227 -15.667 -63.299 1.00 0.00 C ATOM 916 O CYS A 74 -5.458 -15.620 -63.266 1.00 0.00 O ATOM 917 CB CYS A 74 -3.206 -17.189 -61.570 1.00 0.00 C ATOM 918 SG CYS A 74 -1.470 -17.726 -61.543 1.00 0.00 S ATOM 0 H CYS A 74 -4.446 -15.562 -60.186 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.434 -15.287 -62.156 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.630 -17.326 -60.575 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.763 -17.838 -62.246 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.312 -18.639 -60.631 1.00 0.00 H new ATOM 923 N LYS A 75 -3.548 -15.672 -64.423 1.00 0.00 N ATOM 924 CA LYS A 75 -4.208 -15.475 -65.719 1.00 0.00 C ATOM 925 C LYS A 75 -4.519 -16.773 -66.430 1.00 0.00 C ATOM 926 O LYS A 75 -5.049 -16.775 -67.550 1.00 0.00 O ATOM 927 CB LYS A 75 -3.345 -14.594 -66.569 1.00 0.00 C ATOM 928 CG LYS A 75 -3.183 -13.233 -65.966 1.00 0.00 C ATOM 929 CD LYS A 75 -2.063 -12.480 -66.594 1.00 0.00 C ATOM 930 CE LYS A 75 -2.120 -11.014 -66.159 1.00 0.00 C ATOM 931 NZ LYS A 75 -1.108 -10.179 -66.837 1.00 0.00 N ATOM 0 H LYS A 75 -2.539 -15.809 -64.479 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.172 -15.000 -65.537 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.366 -15.056 -66.695 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.784 -14.502 -67.562 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.110 -12.671 -66.083 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.001 -13.329 -64.896 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.109 -12.919 -66.303 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.128 -12.550 -67.680 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.113 -10.616 -66.368 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.972 -10.953 -65.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.828 -9.396 -66.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.274 -10.758 -67.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.508 -9.794 -67.716 1.00 0.00 H new ATOM 945 N CYS A 76 -4.176 -17.855 -65.802 1.00 0.00 N ATOM 946 CA CYS A 76 -4.467 -19.180 -66.325 1.00 0.00 C ATOM 947 C CYS A 76 -5.975 -19.412 -66.429 1.00 0.00 C ATOM 948 O CYS A 76 -6.775 -18.691 -65.820 1.00 0.00 O ATOM 949 CB CYS A 76 -3.877 -20.221 -65.406 1.00 0.00 C ATOM 950 SG CYS A 76 -2.151 -19.962 -65.036 1.00 0.00 S ATOM 0 H CYS A 76 -3.684 -17.858 -64.908 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.030 -19.257 -67.321 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -4.441 -20.230 -64.473 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.998 -21.204 -65.861 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.785 -20.770 -64.085 1.00 0.00 H new ATOM 955 N ALA A 77 -6.355 -20.422 -67.180 1.00 0.00 N ATOM 956 CA ALA A 77 -7.751 -20.760 -67.348 1.00 0.00 C ATOM 957 C ALA A 77 -8.065 -22.059 -66.633 1.00 0.00 C ATOM 958 O ALA A 77 -7.152 -22.767 -66.191 1.00 0.00 O ATOM 959 CB ALA A 77 -8.092 -20.877 -68.822 1.00 0.00 C ATOM 0 H ALA A 77 -5.711 -21.028 -67.688 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.356 -19.965 -66.913 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.146 -21.132 -68.933 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.895 -19.927 -69.318 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.481 -21.657 -69.276 1.00 0.00 H new ATOM 965 N ALA A 78 -9.344 -22.379 -66.524 1.00 0.00 N ATOM 966 CA ALA A 78 -9.775 -23.603 -65.872 1.00 0.00 C ATOM 967 C ALA A 78 -9.329 -24.821 -66.671 1.00 0.00 C ATOM 968 O ALA A 78 -9.980 -25.223 -67.637 1.00 0.00 O ATOM 969 CB ALA A 78 -11.285 -23.606 -65.681 1.00 0.00 C ATOM 0 H ALA A 78 -10.106 -21.803 -66.882 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.308 -23.651 -64.888 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.588 -24.531 -65.191 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.575 -22.756 -65.063 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -11.775 -23.533 -66.652 1.00 0.00 H new ATOM 975 N GLY A 79 -8.197 -25.372 -66.286 1.00 0.00 N ATOM 976 CA GLY A 79 -7.662 -26.529 -66.960 1.00 0.00 C ATOM 977 C GLY A 79 -6.490 -26.171 -67.846 1.00 0.00 C ATOM 978 O GLY A 79 -6.003 -27.002 -68.616 1.00 0.00 O ATOM 0 H GLY A 79 -7.631 -25.034 -65.508 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.347 -27.267 -66.222 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.444 -26.993 -67.561 1.00 0.00 H new ATOM 982 N SER A 80 -6.032 -24.931 -67.743 1.00 0.00 N ATOM 983 CA SER A 80 -4.927 -24.467 -68.553 1.00 0.00 C ATOM 984 C SER A 80 -3.962 -23.587 -67.750 1.00 0.00 C ATOM 985 O SER A 80 -4.196 -22.388 -67.584 1.00 0.00 O ATOM 986 CB SER A 80 -5.457 -23.691 -69.762 1.00 0.00 C ATOM 987 OG SER A 80 -6.401 -24.463 -70.493 1.00 0.00 O ATOM 0 H SER A 80 -6.412 -24.232 -67.105 1.00 0.00 H new ATOM 0 HA SER A 80 -4.373 -25.343 -68.892 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.922 -22.764 -69.427 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.627 -23.414 -70.413 1.00 0.00 H new ATOM 0 HG SER A 80 -6.725 -23.944 -71.259 1.00 0.00 H new ATOM 993 N CYS A 81 -2.902 -24.196 -67.228 1.00 0.00 N ATOM 994 CA CYS A 81 -1.865 -23.457 -66.523 1.00 0.00 C ATOM 995 C CYS A 81 -0.856 -22.947 -67.535 1.00 0.00 C ATOM 996 O CYS A 81 -0.268 -23.729 -68.287 1.00 0.00 O ATOM 997 CB CYS A 81 -1.168 -24.342 -65.482 1.00 0.00 C ATOM 998 SG CYS A 81 0.193 -23.526 -64.597 1.00 0.00 S ATOM 0 H CYS A 81 -2.740 -25.202 -67.281 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.320 -22.620 -65.994 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -1.907 -24.679 -64.756 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -0.781 -25.231 -65.979 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.270 -22.943 -63.531 1.00 0.00 H new ATOM 1003 N LYS A 82 -0.659 -21.650 -67.564 1.00 0.00 N ATOM 1004 CA LYS A 82 0.211 -21.054 -68.554 1.00 0.00 C ATOM 1005 C LYS A 82 1.640 -20.913 -68.058 1.00 0.00 C ATOM 1006 O LYS A 82 2.570 -21.434 -68.670 1.00 0.00 O ATOM 1007 CB LYS A 82 -0.341 -19.716 -68.982 1.00 0.00 C ATOM 1008 CG LYS A 82 -1.796 -19.789 -69.390 1.00 0.00 C ATOM 1009 CD LYS A 82 -2.271 -18.479 -69.939 1.00 0.00 C ATOM 1010 CE LYS A 82 -1.843 -18.288 -71.374 1.00 0.00 C ATOM 1011 NZ LYS A 82 -2.398 -19.341 -72.267 1.00 0.00 N ATOM 0 H LYS A 82 -1.087 -20.988 -66.917 1.00 0.00 H new ATOM 0 HA LYS A 82 0.242 -21.724 -69.413 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.232 -19.004 -68.164 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.248 -19.335 -69.816 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.928 -20.569 -70.139 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.404 -20.068 -68.529 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.358 -18.429 -69.874 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.878 -17.665 -69.330 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.170 -17.308 -71.722 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.755 -18.300 -71.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.876 -18.894 -73.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.626 -19.946 -72.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.081 -19.920 -71.738 1.00 0.00 H new ATOM 1025 N CYS A 83 1.812 -20.221 -66.950 1.00 0.00 N ATOM 1026 CA CYS A 83 3.141 -19.990 -66.392 1.00 0.00 C ATOM 1027 C CYS A 83 3.785 -21.297 -65.921 1.00 0.00 C ATOM 1028 O CYS A 83 5.004 -21.444 -65.953 1.00 0.00 O ATOM 1029 CB CYS A 83 3.051 -19.008 -65.243 1.00 0.00 C ATOM 1030 SG CYS A 83 1.865 -19.495 -63.991 1.00 0.00 S ATOM 0 H CYS A 83 1.051 -19.806 -66.413 1.00 0.00 H new ATOM 0 HA CYS A 83 3.771 -19.573 -67.177 1.00 0.00 H new ATOM 0 HB2 CYS A 83 4.034 -18.905 -64.783 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.777 -18.027 -65.632 1.00 0.00 H new ATOM 0 HG CYS A 83 1.847 -18.607 -63.041 1.00 0.00 H new ATOM 1035 N GLY A 84 2.962 -22.240 -65.495 1.00 0.00 N ATOM 1036 CA GLY A 84 3.477 -23.519 -65.052 1.00 0.00 C ATOM 1037 C GLY A 84 3.638 -23.612 -63.544 1.00 0.00 C ATOM 1038 O GLY A 84 4.456 -24.390 -63.050 1.00 0.00 O ATOM 0 H GLY A 84 1.948 -22.144 -65.447 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.806 -24.309 -65.388 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.442 -23.698 -65.525 1.00 0.00 H new ATOM 1042 N LYS A 85 2.870 -22.823 -62.809 1.00 0.00 N ATOM 1043 CA LYS A 85 2.924 -22.857 -61.349 1.00 0.00 C ATOM 1044 C LYS A 85 1.918 -23.858 -60.797 1.00 0.00 C ATOM 1045 O LYS A 85 1.963 -24.220 -59.620 1.00 0.00 O ATOM 1046 CB LYS A 85 2.694 -21.462 -60.759 1.00 0.00 C ATOM 1047 CG LYS A 85 3.885 -20.524 -60.934 1.00 0.00 C ATOM 1048 CD LYS A 85 5.029 -20.869 -59.975 1.00 0.00 C ATOM 1049 CE LYS A 85 4.754 -20.346 -58.568 1.00 0.00 C ATOM 1050 NZ LYS A 85 4.616 -18.859 -58.539 1.00 0.00 N ATOM 0 H LYS A 85 2.204 -22.153 -63.193 1.00 0.00 H new ATOM 0 HA LYS A 85 3.921 -23.182 -61.053 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.818 -21.016 -61.231 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.470 -21.558 -59.697 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.243 -20.580 -61.962 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.566 -19.496 -60.763 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.165 -21.950 -59.943 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.960 -20.442 -60.348 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.841 -20.802 -58.184 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.565 -20.648 -57.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.026 -18.489 -57.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.116 -18.448 -59.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.609 -18.603 -58.586 1.00 0.00 H new ATOM 1064 N GLY A 86 1.016 -24.305 -61.657 1.00 0.00 N ATOM 1065 CA GLY A 86 0.049 -25.303 -61.263 1.00 0.00 C ATOM 1066 C GLY A 86 -1.302 -24.720 -60.912 1.00 0.00 C ATOM 1067 O GLY A 86 -2.186 -25.435 -60.437 1.00 0.00 O ATOM 0 H GLY A 86 0.938 -23.992 -62.625 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.072 -26.022 -62.074 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.434 -25.853 -60.404 1.00 0.00 H new ATOM 1071 N CYS A 87 -1.475 -23.439 -61.148 1.00 0.00 N ATOM 1072 CA CYS A 87 -2.727 -22.784 -60.843 1.00 0.00 C ATOM 1073 C CYS A 87 -3.542 -22.632 -62.103 1.00 0.00 C ATOM 1074 O CYS A 87 -3.055 -22.136 -63.102 1.00 0.00 O ATOM 1075 CB CYS A 87 -2.477 -21.415 -60.210 1.00 0.00 C ATOM 1076 SG CYS A 87 -1.313 -21.448 -58.840 1.00 0.00 S ATOM 0 H CYS A 87 -0.763 -22.829 -61.551 1.00 0.00 H new ATOM 0 HA CYS A 87 -3.279 -23.396 -60.130 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.103 -20.735 -60.975 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.426 -21.009 -59.858 1.00 0.00 H new ATOM 0 HG CYS A 87 -1.321 -20.297 -58.236 1.00 0.00 H new ATOM 1081 N THR A 88 -4.768 -23.080 -62.067 1.00 0.00 N ATOM 1082 CA THR A 88 -5.633 -22.962 -63.210 1.00 0.00 C ATOM 1083 C THR A 88 -6.612 -21.799 -63.046 1.00 0.00 C ATOM 1084 O THR A 88 -7.827 -21.954 -63.195 1.00 0.00 O ATOM 1085 CB THR A 88 -6.390 -24.275 -63.467 1.00 0.00 C ATOM 1086 OG1 THR A 88 -6.825 -24.846 -62.222 1.00 0.00 O ATOM 1087 CG2 THR A 88 -5.501 -25.266 -64.201 1.00 0.00 C ATOM 0 H THR A 88 -5.191 -23.531 -61.256 1.00 0.00 H new ATOM 0 HA THR A 88 -5.006 -22.755 -64.077 1.00 0.00 H new ATOM 0 HB THR A 88 -7.260 -24.056 -64.086 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.308 -25.681 -62.396 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.052 -26.190 -64.375 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.194 -24.841 -65.157 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.618 -25.478 -63.598 1.00 0.00 H new ATOM 1095 N GLY A 89 -6.070 -20.635 -62.738 1.00 0.00 N ATOM 1096 CA GLY A 89 -6.890 -19.461 -62.543 1.00 0.00 C ATOM 1097 C GLY A 89 -6.783 -18.940 -61.130 1.00 0.00 C ATOM 1098 O GLY A 89 -6.134 -19.567 -60.296 1.00 0.00 O ATOM 0 H GLY A 89 -5.069 -20.481 -62.619 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.585 -18.683 -63.243 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.930 -19.701 -62.766 1.00 0.00 H new ATOM 1102 N PRO A 90 -7.406 -17.787 -60.825 1.00 0.00 N ATOM 1103 CA PRO A 90 -7.364 -17.181 -59.482 1.00 0.00 C ATOM 1104 C PRO A 90 -7.907 -18.109 -58.393 1.00 0.00 C ATOM 1105 O PRO A 90 -7.440 -18.083 -57.257 1.00 0.00 O ATOM 1106 CB PRO A 90 -8.279 -15.956 -59.610 1.00 0.00 C ATOM 1107 CG PRO A 90 -9.088 -16.210 -60.836 1.00 0.00 C ATOM 1108 CD PRO A 90 -8.194 -16.969 -61.759 1.00 0.00 C ATOM 0 HA PRO A 90 -6.340 -16.952 -59.186 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.916 -15.845 -58.732 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.699 -15.037 -59.702 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.985 -16.782 -60.601 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.416 -15.275 -61.290 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.759 -17.583 -62.460 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.563 -16.306 -62.352 1.00 0.00 H new ATOM 1116 N ASP A 91 -8.883 -18.928 -58.756 1.00 0.00 N ATOM 1117 CA ASP A 91 -9.527 -19.844 -57.812 1.00 0.00 C ATOM 1118 C ASP A 91 -8.559 -20.931 -57.357 1.00 0.00 C ATOM 1119 O ASP A 91 -8.570 -21.341 -56.198 1.00 0.00 O ATOM 1120 CB ASP A 91 -10.768 -20.481 -58.453 1.00 0.00 C ATOM 1121 CG ASP A 91 -10.423 -21.381 -59.624 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -9.875 -20.875 -60.627 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -10.687 -22.598 -59.544 1.00 0.00 O ATOM 0 H ASP A 91 -9.253 -18.980 -59.705 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.832 -19.269 -56.938 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.304 -21.059 -57.701 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.442 -19.694 -58.791 1.00 0.00 H new ATOM 1128 N SER A 92 -7.725 -21.380 -58.274 1.00 0.00 N ATOM 1129 CA SER A 92 -6.746 -22.407 -57.987 1.00 0.00 C ATOM 1130 C SER A 92 -5.450 -21.776 -57.485 1.00 0.00 C ATOM 1131 O SER A 92 -4.652 -22.420 -56.798 1.00 0.00 O ATOM 1132 CB SER A 92 -6.492 -23.236 -59.253 1.00 0.00 C ATOM 1133 OG SER A 92 -5.451 -24.180 -59.072 1.00 0.00 O ATOM 0 H SER A 92 -7.708 -21.043 -59.237 1.00 0.00 H new ATOM 0 HA SER A 92 -7.127 -23.063 -57.205 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.407 -23.756 -59.535 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.237 -22.570 -60.077 1.00 0.00 H new ATOM 0 HG SER A 92 -5.526 -24.884 -59.750 1.00 0.00 H new ATOM 1139 N CYS A 93 -5.265 -20.512 -57.824 1.00 0.00 N ATOM 1140 CA CYS A 93 -4.076 -19.764 -57.459 1.00 0.00 C ATOM 1141 C CYS A 93 -3.866 -19.690 -55.955 1.00 0.00 C ATOM 1142 O CYS A 93 -4.816 -19.532 -55.181 1.00 0.00 O ATOM 1143 CB CYS A 93 -4.154 -18.360 -58.028 1.00 0.00 C ATOM 1144 SG CYS A 93 -2.818 -17.280 -57.498 1.00 0.00 S ATOM 0 H CYS A 93 -5.941 -19.972 -58.364 1.00 0.00 H new ATOM 0 HA CYS A 93 -3.224 -20.298 -57.881 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -4.149 -18.419 -59.116 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.105 -17.914 -57.737 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.969 -16.106 -58.036 1.00 0.00 H new ATOM 1149 N LYS A 94 -2.612 -19.806 -55.559 1.00 0.00 N ATOM 1150 CA LYS A 94 -2.216 -19.703 -54.166 1.00 0.00 C ATOM 1151 C LYS A 94 -0.715 -19.496 -54.065 1.00 0.00 C ATOM 1152 O LYS A 94 -0.114 -19.733 -53.021 1.00 0.00 O ATOM 1153 CB LYS A 94 -2.642 -20.964 -53.394 1.00 0.00 C ATOM 1154 CG LYS A 94 -2.062 -22.269 -53.937 1.00 0.00 C ATOM 1155 CD LYS A 94 -0.831 -22.725 -53.155 1.00 0.00 C ATOM 1156 CE LYS A 94 -0.200 -23.960 -53.787 1.00 0.00 C ATOM 1157 NZ LYS A 94 -1.179 -25.068 -53.952 1.00 0.00 N ATOM 0 H LYS A 94 -1.835 -19.975 -56.198 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.716 -18.843 -53.720 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.342 -20.854 -52.352 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.730 -21.032 -53.407 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.824 -23.047 -53.897 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.796 -22.137 -54.986 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.100 -21.918 -53.121 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.112 -22.944 -52.125 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.216 -23.696 -54.760 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.630 -24.300 -53.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.675 -25.941 -54.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.692 -25.213 -53.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.855 -24.825 -54.704 1.00 0.00 H new ATOM 1171 N CYS A 95 -0.115 -19.029 -55.149 1.00 0.00 N ATOM 1172 CA CYS A 95 1.332 -18.875 -55.195 1.00 0.00 C ATOM 1173 C CYS A 95 1.829 -17.550 -54.620 1.00 0.00 C ATOM 1174 O CYS A 95 1.875 -17.361 -53.401 1.00 0.00 O ATOM 1175 CB CYS A 95 1.883 -19.122 -56.617 1.00 0.00 C ATOM 1176 SG CYS A 95 1.317 -17.960 -57.889 1.00 0.00 S ATOM 0 H CYS A 95 -0.601 -18.752 -56.002 1.00 0.00 H new ATOM 0 HA CYS A 95 1.732 -19.647 -54.538 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.972 -19.087 -56.577 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.608 -20.131 -56.924 1.00 0.00 H new ATOM 0 HG CYS A 95 2.218 -17.040 -58.068 1.00 0.00 H new ATOM 1181 N ASP A 96 2.180 -16.659 -55.494 1.00 0.00 N ATOM 1182 CA ASP A 96 2.783 -15.385 -55.131 1.00 0.00 C ATOM 1183 C ASP A 96 2.556 -14.337 -56.218 1.00 0.00 C ATOM 1184 O ASP A 96 1.766 -14.541 -57.141 1.00 0.00 O ATOM 1185 CB ASP A 96 4.286 -15.577 -54.917 1.00 0.00 C ATOM 1186 CG ASP A 96 4.956 -16.250 -56.112 1.00 0.00 C ATOM 1187 OD1 ASP A 96 5.103 -17.499 -56.104 1.00 0.00 O ATOM 1188 OD2 ASP A 96 5.317 -15.544 -57.069 1.00 0.00 O ATOM 0 H ASP A 96 2.060 -16.785 -56.499 1.00 0.00 H new ATOM 0 HA ASP A 96 2.314 -15.033 -54.212 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.753 -14.608 -54.739 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.450 -16.179 -54.023 1.00 0.00 H new ATOM 1193 N ARG A 97 3.267 -13.214 -56.107 1.00 0.00 N ATOM 1194 CA ARG A 97 3.139 -12.120 -57.061 1.00 0.00 C ATOM 1195 C ARG A 97 4.352 -12.038 -57.989 1.00 0.00 C ATOM 1196 O ARG A 97 4.444 -11.131 -58.810 1.00 0.00 O ATOM 1197 CB ARG A 97 3.002 -10.798 -56.321 1.00 0.00 C ATOM 1198 CG ARG A 97 4.233 -10.435 -55.514 1.00 0.00 C ATOM 1199 CD ARG A 97 4.166 -9.016 -54.994 1.00 0.00 C ATOM 1200 NE ARG A 97 5.346 -8.690 -54.176 1.00 0.00 N ATOM 1201 CZ ARG A 97 5.704 -7.453 -53.802 1.00 0.00 C ATOM 1202 NH1 ARG A 97 4.994 -6.403 -54.186 1.00 0.00 N ATOM 1203 NH2 ARG A 97 6.782 -7.275 -53.049 1.00 0.00 N ATOM 0 H ARG A 97 3.940 -13.041 -55.360 1.00 0.00 H new ATOM 0 HA ARG A 97 2.250 -12.313 -57.662 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.801 -10.005 -57.041 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.141 -10.849 -55.655 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.335 -11.125 -54.676 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.122 -10.553 -56.134 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.099 -8.322 -55.832 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.262 -8.887 -54.399 1.00 0.00 H new ATOM 0 HE ARG A 97 5.936 -9.464 -53.871 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.168 -6.532 -54.771 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.273 -5.465 -53.897 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.337 -8.079 -52.755 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.055 -6.335 -52.764 1.00 0.00 H new ATOM 1217 N SER A 98 5.266 -12.979 -57.862 1.00 0.00 N ATOM 1218 CA SER A 98 6.492 -12.959 -58.646 1.00 0.00 C ATOM 1219 C SER A 98 6.314 -13.705 -59.969 1.00 0.00 C ATOM 1220 O SER A 98 7.274 -13.907 -60.720 1.00 0.00 O ATOM 1221 CB SER A 98 7.637 -13.563 -57.830 1.00 0.00 C ATOM 1222 OG SER A 98 7.770 -12.894 -56.575 1.00 0.00 O ATOM 0 H SER A 98 5.186 -13.770 -57.223 1.00 0.00 H new ATOM 0 HA SER A 98 6.735 -11.924 -58.885 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.452 -14.624 -57.664 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.569 -13.486 -58.390 1.00 0.00 H new ATOM 0 HG SER A 98 8.506 -13.295 -56.067 1.00 0.00 H new ATOM 1228 N CYS A 99 5.079 -14.117 -60.241 1.00 0.00 N ATOM 1229 CA CYS A 99 4.739 -14.800 -61.482 1.00 0.00 C ATOM 1230 C CYS A 99 5.061 -13.938 -62.691 1.00 0.00 C ATOM 1231 O CYS A 99 4.834 -12.729 -62.684 1.00 0.00 O ATOM 1232 CB CYS A 99 3.259 -15.155 -61.493 1.00 0.00 C ATOM 1233 SG CYS A 99 2.875 -16.802 -60.905 1.00 0.00 S ATOM 0 H CYS A 99 4.289 -13.987 -59.609 1.00 0.00 H new ATOM 0 HA CYS A 99 5.336 -15.710 -61.537 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.722 -14.431 -60.880 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.883 -15.051 -62.511 1.00 0.00 H new ATOM 0 HG CYS A 99 2.122 -16.721 -59.849 1.00 0.00 H new ATOM 1238 N SER A 100 5.566 -14.568 -63.734 1.00 0.00 N ATOM 1239 CA SER A 100 5.919 -13.866 -64.952 1.00 0.00 C ATOM 1240 C SER A 100 4.666 -13.449 -65.727 1.00 0.00 C ATOM 1241 O SER A 100 4.738 -12.660 -66.668 1.00 0.00 O ATOM 1242 CB SER A 100 6.826 -14.748 -65.825 1.00 0.00 C ATOM 1243 OG SER A 100 7.254 -14.065 -66.994 1.00 0.00 O ATOM 0 H SER A 100 5.742 -15.572 -63.761 1.00 0.00 H new ATOM 0 HA SER A 100 6.463 -12.960 -64.683 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.696 -15.060 -65.247 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.290 -15.654 -66.108 1.00 0.00 H new ATOM 0 HG SER A 100 6.564 -13.426 -67.271 1.00 0.00 H new ATOM 1249 N CYS A 101 3.521 -13.969 -65.324 1.00 0.00 N ATOM 1250 CA CYS A 101 2.287 -13.643 -66.001 1.00 0.00 C ATOM 1251 C CYS A 101 1.635 -12.407 -65.399 1.00 0.00 C ATOM 1252 O CYS A 101 0.856 -11.758 -66.060 1.00 0.00 O ATOM 1253 CB CYS A 101 1.316 -14.821 -65.959 1.00 0.00 C ATOM 1254 SG CYS A 101 0.746 -15.246 -64.306 1.00 0.00 S ATOM 0 H CYS A 101 3.423 -14.612 -64.539 1.00 0.00 H new ATOM 0 HA CYS A 101 2.532 -13.428 -67.041 1.00 0.00 H new ATOM 0 HB2 CYS A 101 0.452 -14.588 -66.581 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.800 -15.693 -66.400 1.00 0.00 H new ATOM 0 HG CYS A 101 -0.073 -16.253 -64.375 1.00 0.00 H new ATOM 1259 N LYS A 102 1.973 -12.083 -64.141 1.00 0.00 N ATOM 1260 CA LYS A 102 1.360 -10.934 -63.444 1.00 0.00 C ATOM 1261 C LYS A 102 1.630 -9.620 -64.198 1.00 0.00 C ATOM 1262 O LYS A 102 0.788 -9.237 -65.062 1.00 0.00 O ATOM 1263 CB LYS A 102 1.901 -10.802 -62.008 1.00 0.00 C ATOM 1264 CG LYS A 102 1.799 -12.059 -61.148 1.00 0.00 C ATOM 1265 CD LYS A 102 0.357 -12.502 -60.887 1.00 0.00 C ATOM 1266 CE LYS A 102 0.323 -13.735 -59.983 1.00 0.00 C ATOM 1267 NZ LYS A 102 -1.059 -14.164 -59.651 1.00 0.00 N ATOM 0 H LYS A 102 2.661 -12.593 -63.587 1.00 0.00 H new ATOM 0 HA LYS A 102 0.286 -11.118 -63.410 1.00 0.00 H new ATOM 0 HB2 LYS A 102 2.948 -10.502 -62.059 1.00 0.00 H new ATOM 0 HB3 LYS A 102 1.363 -9.997 -61.508 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.337 -12.870 -61.638 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.294 -11.879 -60.194 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -0.199 -11.689 -60.421 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.137 -12.725 -61.833 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.846 -14.556 -60.475 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.864 -13.520 -59.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.028 -15.068 -59.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.513 -13.442 -59.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.606 -14.283 -60.528 1.00 0.00 H new