USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 442 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 67 THR OG1 : rot -93:sc= -1.62 USER MOD Set 1.2: A 68 ASN : amide:sc= 0.696 K(o=-0.92,f=-7.7!) USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= -0.576 USER MOD Set 2.2: A 49 GLN : amide:sc= -1.92 X(o=-2.5,f=-2.7) USER MOD Set 3.1: A 20 ASN :FLIP amide:sc= -1.68 F(o=-5.3,f=-4.1) USER MOD Set 3.2: A 32 HIS : no HE2:sc= -2.45! C(o=-4.1!,f=-6.3!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 10 SER OG : rot -48:sc= 0.0336 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -1.47 F(o=-3.6,f=-1.5) USER MOD Single : A 26 THR OG1 : rot 73:sc= -1.97! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -5.93! C(o=-5.9!,f=-6.7!) USER MOD Single : A 30 SER OG : rot 93:sc= -0.322 USER MOD Single : A 31 GLN : amide:sc=-0.00495 K(o=-0.0049,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0442 K(o=-0.044,f=-1.3) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 71:sc= -2.96 USER MOD Single : A 43 THR OG1 : rot 131:sc= -0.383! USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 47 THR OG1 : rot -59:sc= -0.108 USER MOD Single : A 50 THR OG1 : rot -139:sc= -1.28 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0565 K(o=-0.057,f=-1.6!) USER MOD Single : A 54 SER OG : rot -111:sc= 0.229 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 150:sc= -0.157 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00684 USER MOD Single : A 77 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.045) USER MOD Single : A 78 SER OG : rot 4:sc= 0.246 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 8 -4.912 14.943 -7.261 1.00 0.00 N ATOM 81 CA CYS A 8 -4.661 15.509 -5.939 1.00 0.00 C ATOM 82 C CYS A 8 -3.383 16.341 -5.937 1.00 0.00 C ATOM 83 O CYS A 8 -2.371 15.944 -5.357 1.00 0.00 O ATOM 84 CB CYS A 8 -4.565 14.396 -4.893 1.00 0.00 C ATOM 85 SG CYS A 8 -6.088 14.159 -3.920 1.00 0.00 S ATOM 0 HA CYS A 8 -5.496 16.162 -5.686 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.317 13.461 -5.395 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.743 14.620 -4.213 1.00 0.00 H new ATOM 90 N THR A 9 -3.435 17.497 -6.589 1.00 0.00 N ATOM 91 CA THR A 9 -2.282 18.386 -6.658 1.00 0.00 C ATOM 92 C THR A 9 -2.260 19.337 -5.467 1.00 0.00 C ATOM 93 O THR A 9 -3.307 19.758 -4.977 1.00 0.00 O ATOM 94 CB THR A 9 -2.302 19.183 -7.963 1.00 0.00 C ATOM 95 OG1 THR A 9 -3.632 19.374 -8.414 1.00 0.00 O ATOM 96 CG2 THR A 9 -1.529 18.519 -9.083 1.00 0.00 C ATOM 0 H THR A 9 -4.263 17.840 -7.077 1.00 0.00 H new ATOM 0 HA THR A 9 -1.380 17.775 -6.630 1.00 0.00 H new ATOM 0 HB THR A 9 -1.824 20.134 -7.727 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.624 19.887 -9.249 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.584 19.137 -9.979 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.487 18.402 -8.786 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.959 17.539 -9.291 1.00 0.00 H new ATOM 104 N SER A 10 -1.058 19.671 -5.005 1.00 0.00 N ATOM 105 CA SER A 10 -0.893 20.574 -3.868 1.00 0.00 C ATOM 106 C SER A 10 -1.239 19.882 -2.549 1.00 0.00 C ATOM 107 O SER A 10 -1.272 20.521 -1.497 1.00 0.00 O ATOM 108 CB SER A 10 -1.762 21.822 -4.044 1.00 0.00 C ATOM 109 OG SER A 10 -1.241 22.915 -3.308 1.00 0.00 O ATOM 0 H SER A 10 -0.182 19.330 -5.401 1.00 0.00 H new ATOM 0 HA SER A 10 0.156 20.869 -3.833 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.817 22.084 -5.101 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.779 21.610 -3.715 1.00 0.00 H new ATOM 0 HG SER A 10 -1.038 22.627 -2.394 1.00 0.00 H new ATOM 115 N CYS A 11 -1.493 18.576 -2.605 1.00 0.00 N ATOM 116 CA CYS A 11 -1.831 17.815 -1.407 1.00 0.00 C ATOM 117 C CYS A 11 -0.624 17.027 -0.907 1.00 0.00 C ATOM 118 O CYS A 11 0.410 16.967 -1.573 1.00 0.00 O ATOM 119 CB CYS A 11 -2.994 16.864 -1.693 1.00 0.00 C ATOM 120 SG CYS A 11 -4.550 17.706 -2.132 1.00 0.00 S ATOM 0 H CYS A 11 -1.471 18.026 -3.464 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.130 18.519 -0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.712 16.196 -2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.165 16.241 -0.815 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.474 16.820 -2.358 1.00 0.00 H new ATOM 125 N THR A 12 -0.761 16.424 0.270 1.00 0.00 N ATOM 126 CA THR A 12 0.318 15.640 0.856 1.00 0.00 C ATOM 127 C THR A 12 -0.238 14.433 1.602 1.00 0.00 C ATOM 128 O THR A 12 0.281 13.323 1.483 1.00 0.00 O ATOM 129 CB THR A 12 1.151 16.504 1.805 1.00 0.00 C ATOM 130 OG1 THR A 12 2.272 15.784 2.283 1.00 0.00 O ATOM 131 CG2 THR A 12 0.372 16.994 3.007 1.00 0.00 C ATOM 0 H THR A 12 -1.609 16.464 0.836 1.00 0.00 H new ATOM 0 HA THR A 12 0.958 15.285 0.048 1.00 0.00 H new ATOM 0 HB THR A 12 1.459 17.368 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.793 16.353 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.021 17.600 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.473 17.595 2.672 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.006 16.140 3.577 1.00 0.00 H new ATOM 139 N GLY A 13 -1.296 14.659 2.373 1.00 0.00 N ATOM 140 CA GLY A 13 -1.904 13.584 3.128 1.00 0.00 C ATOM 141 C GLY A 13 -2.547 12.540 2.238 1.00 0.00 C ATOM 142 O GLY A 13 -2.073 12.278 1.133 1.00 0.00 O ATOM 0 H GLY A 13 -1.742 15.569 2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.147 13.109 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.656 13.997 3.800 1.00 0.00 H new ATOM 146 N ALA A 14 -3.631 11.941 2.720 1.00 0.00 N ATOM 147 CA ALA A 14 -4.341 10.918 1.962 1.00 0.00 C ATOM 148 C ALA A 14 -5.076 11.528 0.774 1.00 0.00 C ATOM 149 O ALA A 14 -5.596 12.642 0.856 1.00 0.00 O ATOM 150 CB ALA A 14 -5.315 10.175 2.863 1.00 0.00 C ATOM 0 H ALA A 14 -4.037 12.147 3.633 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.607 10.210 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.838 9.414 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.767 9.699 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.038 10.878 3.275 1.00 0.00 H new ATOM 156 N CYS A 15 -5.117 10.791 -0.333 1.00 0.00 N ATOM 157 CA CYS A 15 -5.790 11.260 -1.539 1.00 0.00 C ATOM 158 C CYS A 15 -7.256 10.842 -1.543 1.00 0.00 C ATOM 159 O CYS A 15 -7.591 9.712 -1.187 1.00 0.00 O ATOM 160 CB CYS A 15 -5.090 10.711 -2.784 1.00 0.00 C ATOM 161 SG CYS A 15 -3.285 10.953 -2.794 1.00 0.00 S ATOM 0 H CYS A 15 -4.692 9.868 -0.419 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.741 12.349 -1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.303 9.645 -2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.514 11.190 -3.666 1.00 0.00 H new ATOM 166 N THR A 16 -8.125 11.761 -1.951 1.00 0.00 N ATOM 167 CA THR A 16 -9.556 11.489 -2.008 1.00 0.00 C ATOM 168 C THR A 16 -10.077 11.635 -3.434 1.00 0.00 C ATOM 169 O THR A 16 -10.231 12.748 -3.937 1.00 0.00 O ATOM 170 CB THR A 16 -10.315 12.435 -1.076 1.00 0.00 C ATOM 171 OG1 THR A 16 -9.507 12.806 0.027 1.00 0.00 O ATOM 172 CG2 THR A 16 -11.593 11.838 -0.528 1.00 0.00 C ATOM 0 H THR A 16 -7.863 12.701 -2.247 1.00 0.00 H new ATOM 0 HA THR A 16 -9.720 10.462 -1.681 1.00 0.00 H new ATOM 0 HB THR A 16 -10.571 13.300 -1.688 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.009 13.412 0.611 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.082 12.561 0.125 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.260 11.586 -1.353 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.360 10.937 0.039 1.00 0.00 H new ATOM 180 N GLY A 17 -10.341 10.506 -4.082 1.00 0.00 N ATOM 181 CA GLY A 17 -10.838 10.534 -5.446 1.00 0.00 C ATOM 182 C GLY A 17 -9.883 11.241 -6.390 1.00 0.00 C ATOM 183 O GLY A 17 -10.299 12.082 -7.187 1.00 0.00 O ATOM 0 H GLY A 17 -10.220 9.573 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.000 9.513 -5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.806 11.035 -5.468 1.00 0.00 H new ATOM 187 N CYS A 18 -8.602 10.900 -6.296 1.00 0.00 N ATOM 188 CA CYS A 18 -7.584 11.511 -7.145 1.00 0.00 C ATOM 189 C CYS A 18 -6.790 10.451 -7.899 1.00 0.00 C ATOM 190 O CYS A 18 -6.282 9.500 -7.305 1.00 0.00 O ATOM 191 CB CYS A 18 -6.637 12.368 -6.304 1.00 0.00 C ATOM 192 SG CYS A 18 -7.474 13.646 -5.311 1.00 0.00 S ATOM 0 H CYS A 18 -8.244 10.205 -5.641 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.090 12.144 -7.873 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.071 11.718 -5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.917 12.850 -6.965 1.00 0.00 H new ATOM 197 N GLY A 19 -6.680 10.625 -9.213 1.00 0.00 N ATOM 198 CA GLY A 19 -5.942 9.676 -10.029 1.00 0.00 C ATOM 199 C GLY A 19 -4.436 9.867 -9.947 1.00 0.00 C ATOM 200 O GLY A 19 -3.686 9.216 -10.675 1.00 0.00 O ATOM 0 H GLY A 19 -7.088 11.406 -9.727 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.192 8.663 -9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.259 9.774 -11.067 1.00 0.00 H new ATOM 204 N ASN A 20 -3.989 10.758 -9.065 1.00 0.00 N ATOM 205 CA ASN A 20 -2.565 11.020 -8.902 1.00 0.00 C ATOM 206 C ASN A 20 -2.264 11.541 -7.500 1.00 0.00 C ATOM 207 O ASN A 20 -2.988 12.386 -6.973 1.00 0.00 O ATOM 208 CB ASN A 20 -2.089 12.030 -9.945 1.00 0.00 C ATOM 209 CG ASN A 20 -2.459 11.624 -11.358 1.00 0.00 C ATOM 210 OD1 ASN A 20 -1.680 10.717 -11.936 1.00 0.00 O flip ATOM 211 ND2 ASN A 20 -3.434 12.119 -11.925 1.00 0.00 N flip ATOM 0 H ASN A 20 -4.593 11.309 -8.454 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.030 10.081 -9.044 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.523 13.006 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.007 12.139 -9.873 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.006 12.813 -11.444 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.670 11.835 -12.876 1.00 0.00 H new ATOM 218 N CYS A 21 -1.190 11.034 -6.904 1.00 0.00 N ATOM 219 CA CYS A 21 -0.792 11.450 -5.563 1.00 0.00 C ATOM 220 C CYS A 21 0.646 11.970 -5.564 1.00 0.00 C ATOM 221 O CYS A 21 1.508 11.426 -6.255 1.00 0.00 O ATOM 222 CB CYS A 21 -0.925 10.283 -4.582 1.00 0.00 C ATOM 223 SG CYS A 21 -2.644 9.746 -4.296 1.00 0.00 S ATOM 0 H CYS A 21 -0.580 10.335 -7.327 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.454 12.256 -5.246 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.349 9.438 -4.959 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.482 10.571 -3.629 1.00 0.00 H new ATOM 228 N PRO A 22 0.922 13.035 -4.792 1.00 0.00 N ATOM 229 CA PRO A 22 2.257 13.624 -4.714 1.00 0.00 C ATOM 230 C PRO A 22 3.169 12.885 -3.739 1.00 0.00 C ATOM 231 O PRO A 22 4.307 12.551 -4.071 1.00 0.00 O ATOM 232 CB PRO A 22 1.976 15.041 -4.223 1.00 0.00 C ATOM 233 CG PRO A 22 0.739 14.923 -3.394 1.00 0.00 C ATOM 234 CD PRO A 22 -0.044 13.752 -3.938 1.00 0.00 C ATOM 0 HA PRO A 22 2.783 13.581 -5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.809 15.428 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.828 15.726 -5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.991 14.765 -2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.150 15.839 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.416 13.115 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.911 14.084 -4.509 1.00 0.00 H new ATOM 242 N ASN A 23 2.664 12.631 -2.536 1.00 0.00 N ATOM 243 CA ASN A 23 3.436 11.929 -1.513 1.00 0.00 C ATOM 244 C ASN A 23 2.510 11.298 -0.479 1.00 0.00 C ATOM 245 O ASN A 23 2.841 11.225 0.704 1.00 0.00 O ATOM 246 CB ASN A 23 4.424 12.881 -0.817 1.00 0.00 C ATOM 247 CG ASN A 23 4.467 14.262 -1.445 1.00 0.00 C ATOM 248 OD1 ASN A 23 3.352 14.980 -1.372 1.00 0.00 O flip ATOM 249 ND2 ASN A 23 5.489 14.678 -1.991 1.00 0.00 N flip ATOM 0 H ASN A 23 1.724 12.900 -2.244 1.00 0.00 H new ATOM 0 HA ASN A 23 4.003 11.141 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.149 12.975 0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.422 12.444 -0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.324 14.093 -2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.501 15.608 -2.410 1.00 0.00 H new ATOM 256 N ALA A 24 1.348 10.842 -0.934 1.00 0.00 N ATOM 257 CA ALA A 24 0.372 10.217 -0.050 1.00 0.00 C ATOM 258 C ALA A 24 0.750 8.771 0.256 1.00 0.00 C ATOM 259 O ALA A 24 1.087 8.003 -0.645 1.00 0.00 O ATOM 260 CB ALA A 24 -1.017 10.281 -0.668 1.00 0.00 C ATOM 0 H ALA A 24 1.059 10.894 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 24 0.367 10.769 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.736 9.811 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.297 11.322 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.015 9.756 -1.623 1.00 0.00 H new ATOM 266 N VAL A 25 0.690 8.409 1.533 1.00 0.00 N ATOM 267 CA VAL A 25 1.024 7.055 1.962 1.00 0.00 C ATOM 268 C VAL A 25 -0.199 6.140 1.914 1.00 0.00 C ATOM 269 O VAL A 25 -0.068 4.916 1.918 1.00 0.00 O ATOM 270 CB VAL A 25 1.609 7.047 3.389 1.00 0.00 C ATOM 271 CG1 VAL A 25 0.595 7.578 4.390 1.00 0.00 C ATOM 272 CG2 VAL A 25 2.066 5.647 3.772 1.00 0.00 C ATOM 0 H VAL A 25 0.413 9.034 2.290 1.00 0.00 H new ATOM 0 HA VAL A 25 1.776 6.680 1.268 1.00 0.00 H new ATOM 0 HB VAL A 25 2.477 7.706 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.029 7.563 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.325 8.601 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.297 6.951 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.476 5.662 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.217 4.964 3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.833 5.311 3.074 1.00 0.00 H new ATOM 282 N THR A 26 -1.386 6.740 1.870 1.00 0.00 N ATOM 283 CA THR A 26 -2.628 5.975 1.821 1.00 0.00 C ATOM 284 C THR A 26 -3.716 6.752 1.087 1.00 0.00 C ATOM 285 O THR A 26 -3.909 7.945 1.325 1.00 0.00 O ATOM 286 CB THR A 26 -3.096 5.626 3.237 1.00 0.00 C ATOM 287 OG1 THR A 26 -2.218 6.168 4.208 1.00 0.00 O ATOM 288 CG2 THR A 26 -3.189 4.136 3.484 1.00 0.00 C ATOM 0 H THR A 26 -1.513 7.752 1.867 1.00 0.00 H new ATOM 0 HA THR A 26 -2.436 5.052 1.275 1.00 0.00 H new ATOM 0 HB THR A 26 -4.093 6.058 3.325 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.344 7.139 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.526 3.957 4.505 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.899 3.695 2.785 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.209 3.681 3.340 1.00 0.00 H new ATOM 296 N CYS A 27 -4.424 6.068 0.194 1.00 0.00 N ATOM 297 CA CYS A 27 -5.497 6.699 -0.575 1.00 0.00 C ATOM 298 C CYS A 27 -6.817 5.963 -0.381 1.00 0.00 C ATOM 299 O CYS A 27 -6.873 4.735 -0.452 1.00 0.00 O ATOM 300 CB CYS A 27 -5.164 6.735 -2.078 1.00 0.00 C ATOM 301 SG CYS A 27 -3.405 6.485 -2.481 1.00 0.00 S ATOM 0 H CYS A 27 -4.277 5.081 -0.016 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.592 7.720 -0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.750 5.967 -2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.481 7.696 -2.483 1.00 0.00 H new ATOM 306 N THR A 28 -7.882 6.726 -0.177 1.00 0.00 N ATOM 307 CA THR A 28 -9.211 6.154 -0.017 1.00 0.00 C ATOM 308 C THR A 28 -9.929 6.231 -1.354 1.00 0.00 C ATOM 309 O THR A 28 -10.460 7.280 -1.721 1.00 0.00 O ATOM 310 CB THR A 28 -9.999 6.908 1.056 1.00 0.00 C ATOM 311 OG1 THR A 28 -9.297 6.910 2.286 1.00 0.00 O ATOM 312 CG2 THR A 28 -11.371 6.324 1.311 1.00 0.00 C ATOM 0 H THR A 28 -7.851 7.744 -0.118 1.00 0.00 H new ATOM 0 HA THR A 28 -9.128 5.115 0.303 1.00 0.00 H new ATOM 0 HB THR A 28 -10.119 7.920 0.669 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.816 7.398 2.958 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.876 6.905 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.956 6.355 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.271 5.291 1.643 1.00 0.00 H new ATOM 320 N ASN A 29 -9.898 5.129 -2.101 1.00 0.00 N ATOM 321 CA ASN A 29 -10.489 5.070 -3.410 1.00 0.00 C ATOM 322 C ASN A 29 -9.524 5.685 -4.408 1.00 0.00 C ATOM 323 O ASN A 29 -8.340 5.861 -4.116 1.00 0.00 O ATOM 324 CB ASN A 29 -11.848 5.784 -3.450 1.00 0.00 C ATOM 325 CG ASN A 29 -12.696 5.486 -2.229 1.00 0.00 C ATOM 326 OD1 ASN A 29 -12.723 6.261 -1.273 1.00 0.00 O ATOM 327 ND2 ASN A 29 -13.395 4.357 -2.255 1.00 0.00 N ATOM 0 H ASN A 29 -9.459 4.258 -1.803 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.674 4.028 -3.670 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.688 6.860 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.388 5.480 -4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.984 4.103 -1.462 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.343 3.744 -3.068 1.00 0.00 H new ATOM 334 N SER A 30 -10.037 6.005 -5.573 1.00 0.00 N ATOM 335 CA SER A 30 -9.238 6.612 -6.644 1.00 0.00 C ATOM 336 C SER A 30 -8.471 5.555 -7.431 1.00 0.00 C ATOM 337 O SER A 30 -8.720 4.359 -7.290 1.00 0.00 O ATOM 338 CB SER A 30 -8.257 7.638 -6.060 1.00 0.00 C ATOM 339 OG SER A 30 -8.784 8.252 -4.895 1.00 0.00 O ATOM 0 H SER A 30 -11.016 5.858 -5.818 1.00 0.00 H new ATOM 0 HA SER A 30 -9.924 7.115 -7.326 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.314 7.147 -5.820 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.037 8.400 -6.807 1.00 0.00 H new ATOM 0 HG SER A 30 -8.480 7.763 -4.102 1.00 0.00 H new ATOM 345 N GLN A 31 -7.547 6.005 -8.276 1.00 0.00 N ATOM 346 CA GLN A 31 -6.755 5.093 -9.095 1.00 0.00 C ATOM 347 C GLN A 31 -5.301 5.549 -9.188 1.00 0.00 C ATOM 348 O GLN A 31 -4.836 5.957 -10.252 1.00 0.00 O ATOM 349 CB GLN A 31 -7.358 4.985 -10.497 1.00 0.00 C ATOM 350 CG GLN A 31 -7.667 6.333 -11.131 1.00 0.00 C ATOM 351 CD GLN A 31 -8.592 6.216 -12.328 1.00 0.00 C ATOM 352 OE1 GLN A 31 -8.987 5.117 -12.716 1.00 0.00 O ATOM 353 NE2 GLN A 31 -8.940 7.353 -12.919 1.00 0.00 N ATOM 0 H GLN A 31 -7.329 6.992 -8.411 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.773 4.113 -8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.667 4.440 -11.140 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.275 4.398 -10.445 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.123 6.985 -10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.736 6.807 -11.441 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.588 8.242 -12.563 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.559 7.338 -13.729 1.00 0.00 H new ATOM 362 N HIS A 32 -4.585 5.469 -8.071 1.00 0.00 N ATOM 363 CA HIS A 32 -3.182 5.867 -8.037 1.00 0.00 C ATOM 364 C HIS A 32 -2.577 5.622 -6.659 1.00 0.00 C ATOM 365 O HIS A 32 -1.949 6.506 -6.075 1.00 0.00 O ATOM 366 CB HIS A 32 -3.030 7.339 -8.425 1.00 0.00 C ATOM 367 CG HIS A 32 -1.684 7.665 -8.992 1.00 0.00 C ATOM 368 ND1 HIS A 32 -1.467 7.891 -10.336 1.00 0.00 N ATOM 369 CD2 HIS A 32 -0.480 7.803 -8.390 1.00 0.00 C ATOM 370 CE1 HIS A 32 -0.188 8.153 -10.535 1.00 0.00 C ATOM 371 NE2 HIS A 32 0.433 8.105 -9.371 1.00 0.00 N ATOM 0 H HIS A 32 -4.951 5.133 -7.180 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.644 5.256 -8.762 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.797 7.596 -9.156 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.207 7.959 -7.546 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -2.183 7.860 -11.062 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.275 7.696 -7.335 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.272 8.370 -11.488 1.00 0.00 H new ATOM 380 N CYS A 33 -2.771 4.412 -6.145 1.00 0.00 N ATOM 381 CA CYS A 33 -2.247 4.040 -4.836 1.00 0.00 C ATOM 382 C CYS A 33 -1.362 2.801 -4.943 1.00 0.00 C ATOM 383 O CYS A 33 -1.516 1.844 -4.183 1.00 0.00 O ATOM 384 CB CYS A 33 -3.399 3.781 -3.867 1.00 0.00 C ATOM 385 SG CYS A 33 -3.149 4.491 -2.211 1.00 0.00 S ATOM 0 H CYS A 33 -3.289 3.670 -6.617 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.642 4.864 -4.458 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.316 4.190 -4.292 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.544 2.705 -3.771 1.00 0.00 H new ATOM 390 N VAL A 34 -0.442 2.821 -5.902 1.00 0.00 N ATOM 391 CA VAL A 34 0.463 1.697 -6.127 1.00 0.00 C ATOM 392 C VAL A 34 1.577 1.648 -5.089 1.00 0.00 C ATOM 393 O VAL A 34 2.056 0.572 -4.732 1.00 0.00 O ATOM 394 CB VAL A 34 1.101 1.768 -7.528 1.00 0.00 C ATOM 395 CG1 VAL A 34 2.011 2.985 -7.645 1.00 0.00 C ATOM 396 CG2 VAL A 34 1.870 0.490 -7.829 1.00 0.00 C ATOM 0 H VAL A 34 -0.303 3.606 -6.538 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.142 0.795 -6.042 1.00 0.00 H new ATOM 0 HB VAL A 34 0.303 1.869 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.451 3.016 -8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.430 3.892 -7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.804 2.919 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.314 0.558 -8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.658 0.356 -7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.190 -0.361 -7.793 1.00 0.00 H new ATOM 406 N LYS A 35 2.002 2.817 -4.627 1.00 0.00 N ATOM 407 CA LYS A 35 3.081 2.899 -3.652 1.00 0.00 C ATOM 408 C LYS A 35 2.567 3.307 -2.274 1.00 0.00 C ATOM 409 O LYS A 35 3.226 4.059 -1.555 1.00 0.00 O ATOM 410 CB LYS A 35 4.146 3.887 -4.144 1.00 0.00 C ATOM 411 CG LYS A 35 3.782 5.350 -3.930 1.00 0.00 C ATOM 412 CD LYS A 35 4.693 6.015 -2.907 1.00 0.00 C ATOM 413 CE LYS A 35 5.531 7.119 -3.533 1.00 0.00 C ATOM 414 NZ LYS A 35 6.980 6.956 -3.228 1.00 0.00 N ATOM 0 H LYS A 35 1.617 3.718 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 35 3.525 1.909 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.085 3.678 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.319 3.718 -5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.849 5.884 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.747 5.422 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.091 6.429 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.350 5.267 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.385 7.118 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.189 8.087 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.517 7.728 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.123 6.982 -2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.313 6.044 -3.600 1.00 0.00 H new ATOM 428 N ALA A 36 1.391 2.806 -1.905 1.00 0.00 N ATOM 429 CA ALA A 36 0.807 3.125 -0.605 1.00 0.00 C ATOM 430 C ALA A 36 0.801 1.907 0.311 1.00 0.00 C ATOM 431 O ALA A 36 0.736 0.769 -0.152 1.00 0.00 O ATOM 432 CB ALA A 36 -0.604 3.662 -0.774 1.00 0.00 C ATOM 0 H ALA A 36 0.827 2.182 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 36 1.424 3.894 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.024 3.895 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.579 4.566 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.223 2.911 -1.265 1.00 0.00 H new ATOM 438 N ASN A 37 0.867 2.157 1.615 1.00 0.00 N ATOM 439 CA ASN A 37 0.865 1.082 2.600 1.00 0.00 C ATOM 440 C ASN A 37 -0.429 0.280 2.525 1.00 0.00 C ATOM 441 O ASN A 37 -0.430 -0.938 2.704 1.00 0.00 O ATOM 442 CB ASN A 37 1.043 1.654 4.009 1.00 0.00 C ATOM 443 CG ASN A 37 2.500 1.835 4.381 1.00 0.00 C ATOM 444 OD1 ASN A 37 3.389 1.712 3.537 1.00 0.00 O ATOM 445 ND2 ASN A 37 2.754 2.129 5.651 1.00 0.00 N ATOM 0 H ASN A 37 0.922 3.094 2.014 1.00 0.00 H new ATOM 0 HA ASN A 37 1.698 0.416 2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.532 2.615 4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.567 0.990 4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.717 2.262 5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.986 2.221 6.316 1.00 0.00 H new ATOM 452 N THR A 38 -1.531 0.973 2.257 1.00 0.00 N ATOM 453 CA THR A 38 -2.836 0.331 2.157 1.00 0.00 C ATOM 454 C THR A 38 -3.792 1.174 1.322 1.00 0.00 C ATOM 455 O THR A 38 -3.732 2.403 1.346 1.00 0.00 O ATOM 456 CB THR A 38 -3.423 0.103 3.552 1.00 0.00 C ATOM 457 OG1 THR A 38 -2.406 -0.255 4.471 1.00 0.00 O ATOM 458 CG2 THR A 38 -4.477 -0.982 3.588 1.00 0.00 C ATOM 0 H THR A 38 -1.546 1.981 2.105 1.00 0.00 H new ATOM 0 HA THR A 38 -2.704 -0.632 1.664 1.00 0.00 H new ATOM 0 HB THR A 38 -3.889 1.049 3.827 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.800 -0.395 5.357 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.851 -1.092 4.606 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.300 -0.712 2.926 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.040 -1.925 3.258 1.00 0.00 H new ATOM 466 N CYS A 39 -4.674 0.509 0.583 1.00 0.00 N ATOM 467 CA CYS A 39 -5.642 1.205 -0.258 1.00 0.00 C ATOM 468 C CYS A 39 -7.003 0.517 -0.215 1.00 0.00 C ATOM 469 O CYS A 39 -7.101 -0.677 0.060 1.00 0.00 O ATOM 470 CB CYS A 39 -5.149 1.288 -1.710 1.00 0.00 C ATOM 471 SG CYS A 39 -3.977 -0.025 -2.201 1.00 0.00 S ATOM 0 H CYS A 39 -4.739 -0.508 0.549 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.749 2.216 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.012 1.251 -2.374 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.672 2.256 -1.861 1.00 0.00 H new ATOM 476 N THR A 40 -8.049 1.285 -0.497 1.00 0.00 N ATOM 477 CA THR A 40 -9.412 0.765 -0.507 1.00 0.00 C ATOM 478 C THR A 40 -9.950 0.762 -1.937 1.00 0.00 C ATOM 479 O THR A 40 -9.175 0.622 -2.880 1.00 0.00 O ATOM 480 CB THR A 40 -10.303 1.613 0.406 1.00 0.00 C ATOM 481 OG1 THR A 40 -9.526 2.297 1.372 1.00 0.00 O ATOM 482 CG2 THR A 40 -11.346 0.803 1.146 1.00 0.00 C ATOM 0 H THR A 40 -7.978 2.277 -0.723 1.00 0.00 H new ATOM 0 HA THR A 40 -9.413 -0.258 -0.132 1.00 0.00 H new ATOM 0 HB THR A 40 -10.812 2.312 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.113 2.834 1.944 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.942 1.465 1.774 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.995 0.302 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.853 0.058 1.770 1.00 0.00 H new ATOM 490 N GLY A 41 -11.269 0.918 -2.097 1.00 0.00 N ATOM 491 CA GLY A 41 -11.872 0.937 -3.427 1.00 0.00 C ATOM 492 C GLY A 41 -11.100 1.791 -4.402 1.00 0.00 C ATOM 493 O GLY A 41 -11.503 2.912 -4.706 1.00 0.00 O ATOM 0 H GLY A 41 -11.930 1.032 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.931 -0.082 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.894 1.309 -3.353 1.00 0.00 H new ATOM 497 N SER A 42 -9.996 1.265 -4.897 1.00 0.00 N ATOM 498 CA SER A 42 -9.164 1.988 -5.827 1.00 0.00 C ATOM 499 C SER A 42 -8.572 0.994 -6.799 1.00 0.00 C ATOM 500 O SER A 42 -9.168 -0.043 -7.037 1.00 0.00 O ATOM 501 CB SER A 42 -8.052 2.720 -5.063 1.00 0.00 C ATOM 502 OG SER A 42 -8.529 3.231 -3.832 1.00 0.00 O ATOM 0 H SER A 42 -9.656 0.332 -4.665 1.00 0.00 H new ATOM 0 HA SER A 42 -9.750 2.730 -6.370 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.223 2.037 -4.880 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.664 3.536 -5.673 1.00 0.00 H new ATOM 0 HG SER A 42 -8.688 2.491 -3.210 1.00 0.00 H new ATOM 508 N THR A 43 -7.402 1.290 -7.340 1.00 0.00 N ATOM 509 CA THR A 43 -6.756 0.367 -8.254 1.00 0.00 C ATOM 510 C THR A 43 -5.243 0.368 -8.016 1.00 0.00 C ATOM 511 O THR A 43 -4.813 0.452 -6.871 1.00 0.00 O ATOM 512 CB THR A 43 -7.127 0.711 -9.698 1.00 0.00 C ATOM 513 OG1 THR A 43 -6.214 1.640 -10.256 1.00 0.00 O ATOM 514 CG2 THR A 43 -8.522 1.292 -9.833 1.00 0.00 C ATOM 0 H THR A 43 -6.886 2.152 -7.164 1.00 0.00 H new ATOM 0 HA THR A 43 -7.109 -0.647 -8.068 1.00 0.00 H new ATOM 0 HB THR A 43 -7.089 -0.237 -10.235 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.915 1.319 -11.132 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.724 1.514 -10.881 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.253 0.571 -9.468 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.593 2.209 -9.247 1.00 0.00 H new ATOM 522 N ASP A 44 -4.443 0.291 -9.085 1.00 0.00 N ATOM 523 CA ASP A 44 -2.974 0.298 -8.980 1.00 0.00 C ATOM 524 C ASP A 44 -2.484 0.161 -7.534 1.00 0.00 C ATOM 525 O ASP A 44 -2.126 1.151 -6.901 1.00 0.00 O ATOM 526 CB ASP A 44 -2.415 1.585 -9.589 1.00 0.00 C ATOM 527 CG ASP A 44 -2.596 1.639 -11.094 1.00 0.00 C ATOM 528 OD1 ASP A 44 -1.749 1.070 -11.814 1.00 0.00 O ATOM 529 OD2 ASP A 44 -3.583 2.252 -11.551 1.00 0.00 O ATOM 0 H ASP A 44 -4.789 0.222 -10.042 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.611 -0.570 -9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.910 2.443 -9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.355 1.666 -9.350 1.00 0.00 H new ATOM 534 N CYS A 45 -2.475 -1.067 -7.020 1.00 0.00 N ATOM 535 CA CYS A 45 -2.033 -1.326 -5.650 1.00 0.00 C ATOM 536 C CYS A 45 -1.120 -2.548 -5.601 1.00 0.00 C ATOM 537 O CYS A 45 -1.588 -3.681 -5.500 1.00 0.00 O ATOM 538 CB CYS A 45 -3.244 -1.553 -4.744 1.00 0.00 C ATOM 539 SG CYS A 45 -4.085 -0.018 -4.229 1.00 0.00 S ATOM 0 H CYS A 45 -2.769 -1.899 -7.531 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.475 -0.458 -5.299 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.959 -2.190 -5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.923 -2.095 -3.854 1.00 0.00 H new ATOM 544 N ASN A 46 0.185 -2.308 -5.677 1.00 0.00 N ATOM 545 CA ASN A 46 1.163 -3.388 -5.645 1.00 0.00 C ATOM 546 C ASN A 46 1.908 -3.416 -4.314 1.00 0.00 C ATOM 547 O ASN A 46 2.192 -4.486 -3.775 1.00 0.00 O ATOM 548 CB ASN A 46 2.159 -3.234 -6.798 1.00 0.00 C ATOM 549 CG ASN A 46 3.168 -4.366 -6.846 1.00 0.00 C ATOM 550 OD1 ASN A 46 2.809 -5.526 -7.048 1.00 0.00 O ATOM 551 ND2 ASN A 46 4.440 -4.031 -6.660 1.00 0.00 N ATOM 0 H ASN A 46 0.589 -1.375 -5.761 1.00 0.00 H new ATOM 0 HA ASN A 46 0.627 -4.331 -5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.615 -3.196 -7.742 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.686 -2.285 -6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.165 -4.748 -6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.692 -3.056 -6.496 1.00 0.00 H new ATOM 558 N THR A 47 2.223 -2.238 -3.789 1.00 0.00 N ATOM 559 CA THR A 47 2.937 -2.135 -2.521 1.00 0.00 C ATOM 560 C THR A 47 2.002 -2.395 -1.345 1.00 0.00 C ATOM 561 O THR A 47 2.422 -2.908 -0.308 1.00 0.00 O ATOM 562 CB THR A 47 3.583 -0.756 -2.377 1.00 0.00 C ATOM 563 OG1 THR A 47 2.596 0.261 -2.339 1.00 0.00 O ATOM 564 CG2 THR A 47 4.543 -0.424 -3.498 1.00 0.00 C ATOM 0 H THR A 47 1.996 -1.342 -4.220 1.00 0.00 H new ATOM 0 HA THR A 47 3.719 -2.894 -2.517 1.00 0.00 H new ATOM 0 HB THR A 47 4.142 -0.797 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.062 0.230 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.965 0.567 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.346 -1.161 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.011 -0.439 -4.449 1.00 0.00 H new ATOM 572 N ALA A 48 0.733 -2.039 -1.512 1.00 0.00 N ATOM 573 CA ALA A 48 -0.256 -2.237 -0.461 1.00 0.00 C ATOM 574 C ALA A 48 -0.428 -3.717 -0.141 1.00 0.00 C ATOM 575 O ALA A 48 -0.342 -4.567 -1.027 1.00 0.00 O ATOM 576 CB ALA A 48 -1.589 -1.627 -0.867 1.00 0.00 C ATOM 0 H ALA A 48 0.366 -1.613 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 48 0.102 -1.736 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.318 -1.783 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.463 -0.558 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.943 -2.102 -1.782 1.00 0.00 H new ATOM 582 N GLN A 49 -0.673 -4.019 1.130 1.00 0.00 N ATOM 583 CA GLN A 49 -0.861 -5.399 1.563 1.00 0.00 C ATOM 584 C GLN A 49 -2.281 -5.883 1.267 1.00 0.00 C ATOM 585 O GLN A 49 -2.627 -7.028 1.556 1.00 0.00 O ATOM 586 CB GLN A 49 -0.567 -5.528 3.059 1.00 0.00 C ATOM 587 CG GLN A 49 0.718 -4.838 3.486 1.00 0.00 C ATOM 588 CD GLN A 49 0.483 -3.431 4.000 1.00 0.00 C ATOM 589 OE1 GLN A 49 -0.499 -3.166 4.694 1.00 0.00 O ATOM 590 NE2 GLN A 49 1.385 -2.517 3.658 1.00 0.00 N ATOM 0 H GLN A 49 -0.746 -3.328 1.877 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.164 -6.024 1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.400 -5.108 3.622 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.507 -6.585 3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.202 -5.429 4.264 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.405 -4.802 2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.184 -2.780 3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.278 -1.553 3.972 1.00 0.00 H new ATOM 599 N THR A 50 -3.099 -5.006 0.687 1.00 0.00 N ATOM 600 CA THR A 50 -4.475 -5.344 0.350 1.00 0.00 C ATOM 601 C THR A 50 -5.154 -4.179 -0.365 1.00 0.00 C ATOM 602 O THR A 50 -4.631 -3.065 -0.389 1.00 0.00 O ATOM 603 CB THR A 50 -5.249 -5.720 1.615 1.00 0.00 C ATOM 604 OG1 THR A 50 -6.411 -6.458 1.291 1.00 0.00 O ATOM 605 CG2 THR A 50 -5.679 -4.528 2.446 1.00 0.00 C ATOM 0 H THR A 50 -2.828 -4.054 0.441 1.00 0.00 H new ATOM 0 HA THR A 50 -4.468 -6.201 -0.324 1.00 0.00 H new ATOM 0 HB THR A 50 -4.551 -6.314 2.206 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.156 -6.160 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.222 -4.874 3.325 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.799 -3.967 2.760 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.326 -3.884 1.851 1.00 0.00 H new ATOM 613 N CYS A 51 -6.320 -4.441 -0.947 1.00 0.00 N ATOM 614 CA CYS A 51 -7.061 -3.407 -1.660 1.00 0.00 C ATOM 615 C CYS A 51 -8.393 -3.939 -2.176 1.00 0.00 C ATOM 616 O CYS A 51 -8.480 -5.070 -2.654 1.00 0.00 O ATOM 617 CB CYS A 51 -6.232 -2.857 -2.826 1.00 0.00 C ATOM 618 SG CYS A 51 -5.174 -4.093 -3.649 1.00 0.00 S ATOM 0 H CYS A 51 -6.770 -5.356 -0.939 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.263 -2.600 -0.956 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.908 -2.426 -3.565 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.603 -2.046 -2.458 1.00 0.00 H new ATOM 623 N THR A 52 -9.430 -3.113 -2.076 1.00 0.00 N ATOM 624 CA THR A 52 -10.760 -3.495 -2.533 1.00 0.00 C ATOM 625 C THR A 52 -11.092 -2.812 -3.858 1.00 0.00 C ATOM 626 O THR A 52 -10.601 -1.721 -4.143 1.00 0.00 O ATOM 627 CB THR A 52 -11.811 -3.144 -1.473 1.00 0.00 C ATOM 628 OG1 THR A 52 -13.019 -3.843 -1.714 1.00 0.00 O ATOM 629 CG2 THR A 52 -12.142 -1.669 -1.403 1.00 0.00 C ATOM 0 H THR A 52 -9.374 -2.174 -1.682 1.00 0.00 H new ATOM 0 HA THR A 52 -10.771 -4.573 -2.691 1.00 0.00 H new ATOM 0 HB THR A 52 -11.362 -3.438 -0.524 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.676 -3.607 -1.026 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.892 -1.501 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.241 -1.105 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.532 -1.337 -2.365 1.00 0.00 H new ATOM 637 N ASN A 53 -11.924 -3.465 -4.664 1.00 0.00 N ATOM 638 CA ASN A 53 -12.325 -2.925 -5.962 1.00 0.00 C ATOM 639 C ASN A 53 -11.127 -2.380 -6.739 1.00 0.00 C ATOM 640 O ASN A 53 -11.270 -1.475 -7.561 1.00 0.00 O ATOM 641 CB ASN A 53 -13.369 -1.821 -5.775 1.00 0.00 C ATOM 642 CG ASN A 53 -14.755 -2.375 -5.514 1.00 0.00 C ATOM 643 OD1 ASN A 53 -15.097 -3.466 -5.972 1.00 0.00 O ATOM 644 ND2 ASN A 53 -15.564 -1.625 -4.775 1.00 0.00 N ATOM 0 H ASN A 53 -12.335 -4.371 -4.441 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.758 -3.741 -6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.073 -1.182 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.393 -1.193 -6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.509 -1.947 -4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.240 -0.727 -4.415 1.00 0.00 H new ATOM 651 N SER A 54 -9.950 -2.940 -6.481 1.00 0.00 N ATOM 652 CA SER A 54 -8.735 -2.509 -7.163 1.00 0.00 C ATOM 653 C SER A 54 -8.335 -3.525 -8.230 1.00 0.00 C ATOM 654 O SER A 54 -8.329 -4.730 -7.981 1.00 0.00 O ATOM 655 CB SER A 54 -7.601 -2.312 -6.154 1.00 0.00 C ATOM 656 OG SER A 54 -6.333 -2.519 -6.755 1.00 0.00 O ATOM 0 H SER A 54 -9.812 -3.692 -5.806 1.00 0.00 H new ATOM 0 HA SER A 54 -8.930 -1.555 -7.653 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.650 -1.304 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.728 -3.004 -5.321 1.00 0.00 H new ATOM 0 HG SER A 54 -5.933 -3.341 -6.401 1.00 0.00 H new ATOM 662 N LYS A 55 -8.015 -3.032 -9.423 1.00 0.00 N ATOM 663 CA LYS A 55 -7.628 -3.902 -10.530 1.00 0.00 C ATOM 664 C LYS A 55 -6.115 -4.091 -10.593 1.00 0.00 C ATOM 665 O LYS A 55 -5.558 -4.330 -11.664 1.00 0.00 O ATOM 666 CB LYS A 55 -8.133 -3.327 -11.855 1.00 0.00 C ATOM 667 CG LYS A 55 -9.544 -3.768 -12.211 1.00 0.00 C ATOM 668 CD LYS A 55 -9.802 -3.659 -13.706 1.00 0.00 C ATOM 669 CE LYS A 55 -8.866 -4.555 -14.501 1.00 0.00 C ATOM 670 NZ LYS A 55 -9.353 -4.772 -15.892 1.00 0.00 N ATOM 0 H LYS A 55 -8.016 -2.037 -9.648 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.084 -4.877 -10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.103 -2.239 -11.804 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.455 -3.627 -12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.697 -4.798 -11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.265 -3.155 -11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.836 -3.932 -13.918 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.674 -2.624 -14.024 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.873 -4.107 -14.530 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.768 -5.516 -13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.687 -5.388 -16.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.290 -5.222 -15.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.422 -3.857 -16.382 1.00 0.00 H new ATOM 684 N ASP A 56 -5.453 -3.988 -9.445 1.00 0.00 N ATOM 685 CA ASP A 56 -4.005 -4.153 -9.388 1.00 0.00 C ATOM 686 C ASP A 56 -3.562 -4.760 -8.061 1.00 0.00 C ATOM 687 O ASP A 56 -2.412 -4.607 -7.649 1.00 0.00 O ATOM 688 CB ASP A 56 -3.310 -2.812 -9.618 1.00 0.00 C ATOM 689 CG ASP A 56 -3.167 -2.476 -11.089 1.00 0.00 C ATOM 690 OD1 ASP A 56 -4.203 -2.270 -11.756 1.00 0.00 O ATOM 691 OD2 ASP A 56 -2.018 -2.415 -11.575 1.00 0.00 O ATOM 0 H ASP A 56 -5.893 -3.792 -8.546 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.717 -4.843 -10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.876 -2.024 -9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.323 -2.834 -9.156 1.00 0.00 H new ATOM 696 N CYS A 57 -4.477 -5.464 -7.401 1.00 0.00 N ATOM 697 CA CYS A 57 -4.182 -6.112 -6.126 1.00 0.00 C ATOM 698 C CYS A 57 -3.293 -7.339 -6.337 1.00 0.00 C ATOM 699 O CYS A 57 -3.686 -8.461 -6.016 1.00 0.00 O ATOM 700 CB CYS A 57 -5.478 -6.540 -5.433 1.00 0.00 C ATOM 701 SG CYS A 57 -6.477 -5.170 -4.769 1.00 0.00 S ATOM 0 H CYS A 57 -5.433 -5.601 -7.729 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.656 -5.394 -5.497 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.084 -7.103 -6.143 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.230 -7.219 -4.617 1.00 0.00 H new ATOM 706 N PHE A 58 -2.099 -7.125 -6.883 1.00 0.00 N ATOM 707 CA PHE A 58 -1.173 -8.224 -7.135 1.00 0.00 C ATOM 708 C PHE A 58 -0.560 -8.731 -5.834 1.00 0.00 C ATOM 709 O PHE A 58 -0.596 -9.927 -5.544 1.00 0.00 O ATOM 710 CB PHE A 58 -0.064 -7.786 -8.096 1.00 0.00 C ATOM 711 CG PHE A 58 -0.516 -6.882 -9.175 1.00 0.00 C ATOM 712 CD1 PHE A 58 -1.164 -7.389 -10.281 1.00 0.00 C ATOM 713 CD2 PHE A 58 -0.268 -5.527 -9.093 1.00 0.00 C ATOM 714 CE1 PHE A 58 -1.565 -6.555 -11.291 1.00 0.00 C ATOM 715 CE2 PHE A 58 -0.661 -4.690 -10.102 1.00 0.00 C ATOM 716 CZ PHE A 58 -1.310 -5.207 -11.198 1.00 0.00 C ATOM 0 H PHE A 58 -1.752 -6.206 -7.158 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.738 -9.036 -7.593 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.720 -7.288 -7.525 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.383 -8.673 -8.545 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.357 -8.449 -10.352 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.239 -5.125 -8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.078 -6.953 -12.154 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.463 -3.630 -10.038 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.623 -4.548 -11.994 1.00 0.00 H new ATOM 726 N GLU A 59 0.005 -7.816 -5.054 1.00 0.00 N ATOM 727 CA GLU A 59 0.629 -8.171 -3.784 1.00 0.00 C ATOM 728 C GLU A 59 -0.329 -7.933 -2.618 1.00 0.00 C ATOM 729 O GLU A 59 0.079 -7.470 -1.552 1.00 0.00 O ATOM 730 CB GLU A 59 1.917 -7.367 -3.584 1.00 0.00 C ATOM 731 CG GLU A 59 3.145 -8.237 -3.367 1.00 0.00 C ATOM 732 CD GLU A 59 3.557 -8.311 -1.909 1.00 0.00 C ATOM 733 OE1 GLU A 59 2.707 -8.033 -1.038 1.00 0.00 O ATOM 734 OE2 GLU A 59 4.730 -8.645 -1.640 1.00 0.00 O ATOM 0 H GLU A 59 0.044 -6.822 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 59 0.875 -9.233 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.080 -6.733 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.794 -6.705 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.943 -9.243 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.974 -7.843 -3.955 1.00 0.00 H new ATOM 741 N ALA A 60 -1.601 -8.254 -2.829 1.00 0.00 N ATOM 742 CA ALA A 60 -2.614 -8.075 -1.795 1.00 0.00 C ATOM 743 C ALA A 60 -2.855 -9.373 -1.031 1.00 0.00 C ATOM 744 O ALA A 60 -2.989 -10.441 -1.628 1.00 0.00 O ATOM 745 CB ALA A 60 -3.912 -7.575 -2.408 1.00 0.00 C ATOM 0 H ALA A 60 -1.955 -8.639 -3.705 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.247 -7.330 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.659 -7.446 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.736 -6.620 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.273 -8.300 -3.137 1.00 0.00 H new ATOM 751 N ASN A 61 -2.910 -9.271 0.293 1.00 0.00 N ATOM 752 CA ASN A 61 -3.137 -10.435 1.140 1.00 0.00 C ATOM 753 C ASN A 61 -4.621 -10.788 1.195 1.00 0.00 C ATOM 754 O ASN A 61 -4.986 -11.956 1.323 1.00 0.00 O ATOM 755 CB ASN A 61 -2.612 -10.175 2.554 1.00 0.00 C ATOM 756 CG ASN A 61 -1.158 -9.746 2.562 1.00 0.00 C ATOM 757 OD1 ASN A 61 -0.784 -8.790 3.239 1.00 0.00 O ATOM 758 ND2 ASN A 61 -0.328 -10.455 1.804 1.00 0.00 N ATOM 0 H ASN A 61 -2.800 -8.394 0.802 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.596 -11.277 0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.218 -9.403 3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.724 -11.079 3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.662 -10.213 1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.681 -11.241 1.258 1.00 0.00 H new ATOM 765 N THR A 62 -5.471 -9.770 1.095 1.00 0.00 N ATOM 766 CA THR A 62 -6.915 -9.979 1.132 1.00 0.00 C ATOM 767 C THR A 62 -7.574 -9.467 -0.146 1.00 0.00 C ATOM 768 O THR A 62 -8.306 -8.476 -0.127 1.00 0.00 O ATOM 769 CB THR A 62 -7.520 -9.281 2.352 1.00 0.00 C ATOM 770 OG1 THR A 62 -6.908 -9.736 3.544 1.00 0.00 O ATOM 771 CG2 THR A 62 -9.012 -9.503 2.488 1.00 0.00 C ATOM 0 H THR A 62 -5.187 -8.796 0.988 1.00 0.00 H new ATOM 0 HA THR A 62 -7.101 -11.050 1.207 1.00 0.00 H new ATOM 0 HB THR A 62 -7.339 -8.217 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.307 -9.277 4.312 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.378 -8.982 3.372 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.519 -9.118 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.214 -10.570 2.586 1.00 0.00 H new ATOM 779 N CYS A 63 -7.312 -10.152 -1.254 1.00 0.00 N ATOM 780 CA CYS A 63 -7.879 -9.773 -2.542 1.00 0.00 C ATOM 781 C CYS A 63 -9.376 -10.069 -2.579 1.00 0.00 C ATOM 782 O CYS A 63 -9.787 -11.221 -2.720 1.00 0.00 O ATOM 783 CB CYS A 63 -7.164 -10.518 -3.674 1.00 0.00 C ATOM 784 SG CYS A 63 -7.909 -10.276 -5.322 1.00 0.00 S ATOM 0 H CYS A 63 -6.709 -10.974 -1.285 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.736 -8.701 -2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.124 -10.193 -3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.157 -11.584 -3.444 1.00 0.00 H new ATOM 789 N THR A 64 -10.187 -9.022 -2.449 1.00 0.00 N ATOM 790 CA THR A 64 -11.637 -9.173 -2.465 1.00 0.00 C ATOM 791 C THR A 64 -12.275 -8.191 -3.443 1.00 0.00 C ATOM 792 O THR A 64 -11.955 -7.002 -3.444 1.00 0.00 O ATOM 793 CB THR A 64 -12.206 -8.958 -1.061 1.00 0.00 C ATOM 794 OG1 THR A 64 -11.321 -8.181 -0.276 1.00 0.00 O ATOM 795 CG2 THR A 64 -12.466 -10.250 -0.317 1.00 0.00 C ATOM 0 H THR A 64 -9.864 -8.062 -2.332 1.00 0.00 H new ATOM 0 HA THR A 64 -11.870 -10.186 -2.793 1.00 0.00 H new ATOM 0 HB THR A 64 -13.156 -8.445 -1.209 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.703 -8.053 0.617 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.868 -10.026 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.184 -10.852 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.533 -10.803 -0.212 1.00 0.00 H new ATOM 803 N ASP A 65 -13.183 -8.697 -4.272 1.00 0.00 N ATOM 804 CA ASP A 65 -13.868 -7.865 -5.255 1.00 0.00 C ATOM 805 C ASP A 65 -12.869 -7.191 -6.190 1.00 0.00 C ATOM 806 O ASP A 65 -13.114 -6.093 -6.691 1.00 0.00 O ATOM 807 CB ASP A 65 -14.722 -6.807 -4.552 1.00 0.00 C ATOM 808 CG ASP A 65 -16.155 -7.260 -4.353 1.00 0.00 C ATOM 809 OD1 ASP A 65 -16.361 -8.319 -3.724 1.00 0.00 O ATOM 810 OD2 ASP A 65 -17.071 -6.556 -4.826 1.00 0.00 O ATOM 0 H ASP A 65 -13.461 -9.678 -4.283 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.516 -8.509 -5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.280 -6.572 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.712 -5.888 -5.138 1.00 0.00 H new ATOM 815 N SER A 66 -11.743 -7.856 -6.423 1.00 0.00 N ATOM 816 CA SER A 66 -10.706 -7.322 -7.298 1.00 0.00 C ATOM 817 C SER A 66 -10.214 -8.389 -8.270 1.00 0.00 C ATOM 818 O SER A 66 -10.678 -9.527 -8.242 1.00 0.00 O ATOM 819 CB SER A 66 -9.534 -6.791 -6.471 1.00 0.00 C ATOM 820 OG SER A 66 -9.803 -5.488 -5.983 1.00 0.00 O ATOM 0 H SER A 66 -11.525 -8.766 -6.018 1.00 0.00 H new ATOM 0 HA SER A 66 -11.137 -6.502 -7.872 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.341 -7.463 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.632 -6.775 -7.082 1.00 0.00 H new ATOM 0 HG SER A 66 -9.337 -5.355 -5.131 1.00 0.00 H new ATOM 826 N THR A 67 -9.281 -8.011 -9.134 1.00 0.00 N ATOM 827 CA THR A 67 -8.733 -8.933 -10.117 1.00 0.00 C ATOM 828 C THR A 67 -7.230 -8.740 -10.277 1.00 0.00 C ATOM 829 O THR A 67 -6.661 -7.769 -9.778 1.00 0.00 O ATOM 830 CB THR A 67 -9.432 -8.732 -11.456 1.00 0.00 C ATOM 831 OG1 THR A 67 -8.756 -9.421 -12.491 1.00 0.00 O ATOM 832 CG2 THR A 67 -9.537 -7.280 -11.862 1.00 0.00 C ATOM 0 H THR A 67 -8.888 -7.071 -9.173 1.00 0.00 H new ATOM 0 HA THR A 67 -8.905 -9.950 -9.766 1.00 0.00 H new ATOM 0 HB THR A 67 -10.437 -9.129 -11.315 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.113 -8.818 -12.919 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.045 -7.207 -12.824 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.104 -6.732 -11.110 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.538 -6.852 -11.946 1.00 0.00 H new ATOM 840 N ASN A 68 -6.592 -9.672 -10.978 1.00 0.00 N ATOM 841 CA ASN A 68 -5.151 -9.613 -11.209 1.00 0.00 C ATOM 842 C ASN A 68 -4.376 -9.833 -9.913 1.00 0.00 C ATOM 843 O ASN A 68 -3.315 -9.247 -9.707 1.00 0.00 O ATOM 844 CB ASN A 68 -4.761 -8.265 -11.824 1.00 0.00 C ATOM 845 CG ASN A 68 -5.643 -7.890 -12.999 1.00 0.00 C ATOM 846 OD1 ASN A 68 -6.444 -8.696 -13.472 1.00 0.00 O ATOM 847 ND2 ASN A 68 -5.497 -6.659 -13.477 1.00 0.00 N ATOM 0 H ASN A 68 -7.051 -10.480 -11.398 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.894 -10.411 -11.905 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.826 -7.488 -11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.722 -8.305 -12.151 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.062 -6.349 -14.268 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.820 -6.024 -13.053 1.00 0.00 H new ATOM 854 N CYS A 69 -4.911 -10.684 -9.043 1.00 0.00 N ATOM 855 CA CYS A 69 -4.265 -10.983 -7.771 1.00 0.00 C ATOM 856 C CYS A 69 -3.456 -12.273 -7.862 1.00 0.00 C ATOM 857 O CYS A 69 -3.833 -13.293 -7.289 1.00 0.00 O ATOM 858 CB CYS A 69 -5.311 -11.104 -6.659 1.00 0.00 C ATOM 859 SG CYS A 69 -6.363 -9.630 -6.469 1.00 0.00 S ATOM 0 H CYS A 69 -5.790 -11.178 -9.196 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.586 -10.163 -7.536 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.945 -11.967 -6.863 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.802 -11.299 -5.715 1.00 0.00 H new ATOM 864 N TYR A 70 -2.341 -12.225 -8.585 1.00 0.00 N ATOM 865 CA TYR A 70 -1.491 -13.401 -8.742 1.00 0.00 C ATOM 866 C TYR A 70 -0.436 -13.469 -7.642 1.00 0.00 C ATOM 867 O TYR A 70 0.750 -13.656 -7.909 1.00 0.00 O ATOM 868 CB TYR A 70 -0.828 -13.407 -10.125 1.00 0.00 C ATOM 869 CG TYR A 70 0.223 -12.335 -10.317 1.00 0.00 C ATOM 870 CD1 TYR A 70 -0.135 -11.018 -10.573 1.00 0.00 C ATOM 871 CD2 TYR A 70 1.576 -12.645 -10.249 1.00 0.00 C ATOM 872 CE1 TYR A 70 0.826 -10.040 -10.755 1.00 0.00 C ATOM 873 CE2 TYR A 70 2.542 -11.673 -10.428 1.00 0.00 C ATOM 874 CZ TYR A 70 2.161 -10.373 -10.681 1.00 0.00 C ATOM 875 OH TYR A 70 3.119 -9.402 -10.862 1.00 0.00 O ATOM 0 H TYR A 70 -2.007 -11.391 -9.068 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.123 -14.285 -8.657 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.370 -14.382 -10.291 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.599 -13.283 -10.885 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.180 -10.753 -10.631 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.878 -13.663 -10.053 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.531 -9.020 -10.954 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.589 -11.931 -10.370 1.00 0.00 H new ATOM 0 HH TYR A 70 4.010 -9.802 -10.777 1.00 0.00 H new ATOM 885 N LYS A 71 -0.882 -13.323 -6.398 1.00 0.00 N ATOM 886 CA LYS A 71 0.012 -13.372 -5.247 1.00 0.00 C ATOM 887 C LYS A 71 -0.758 -13.105 -3.957 1.00 0.00 C ATOM 888 O LYS A 71 -0.295 -12.369 -3.085 1.00 0.00 O ATOM 889 CB LYS A 71 1.146 -12.353 -5.407 1.00 0.00 C ATOM 890 CG LYS A 71 2.530 -12.948 -5.191 1.00 0.00 C ATOM 891 CD LYS A 71 3.383 -12.073 -4.286 1.00 0.00 C ATOM 892 CE LYS A 71 4.156 -12.904 -3.274 1.00 0.00 C ATOM 893 NZ LYS A 71 3.294 -13.344 -2.143 1.00 0.00 N ATOM 0 H LYS A 71 -1.862 -13.169 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 71 0.444 -14.371 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.097 -11.920 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.995 -11.538 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.435 -13.941 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.028 -13.071 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.080 -11.493 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.746 -11.360 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.579 -13.778 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.992 -12.321 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.858 -13.908 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.910 -12.510 -1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.510 -13.922 -2.508 1.00 0.00 H new ATOM 907 N ALA A 72 -1.939 -13.705 -3.845 1.00 0.00 N ATOM 908 CA ALA A 72 -2.776 -13.530 -2.664 1.00 0.00 C ATOM 909 C ALA A 72 -3.084 -14.868 -2.004 1.00 0.00 C ATOM 910 O ALA A 72 -2.908 -15.926 -2.607 1.00 0.00 O ATOM 911 CB ALA A 72 -4.066 -12.815 -3.038 1.00 0.00 C ATOM 0 H ALA A 72 -2.338 -14.316 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.227 -12.921 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.684 -12.690 -2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.831 -11.837 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.609 -13.406 -3.776 1.00 0.00 H new ATOM 917 N THR A 73 -3.546 -14.813 -0.758 1.00 0.00 N ATOM 918 CA THR A 73 -3.881 -16.021 -0.012 1.00 0.00 C ATOM 919 C THR A 73 -5.392 -16.152 0.159 1.00 0.00 C ATOM 920 O THR A 73 -5.929 -17.258 0.183 1.00 0.00 O ATOM 921 CB THR A 73 -3.198 -16.005 1.357 1.00 0.00 C ATOM 922 OG1 THR A 73 -3.781 -16.966 2.221 1.00 0.00 O ATOM 923 CG2 THR A 73 -3.271 -14.661 2.050 1.00 0.00 C ATOM 0 H THR A 73 -3.697 -13.945 -0.244 1.00 0.00 H new ATOM 0 HA THR A 73 -3.522 -16.881 -0.578 1.00 0.00 H new ATOM 0 HB THR A 73 -2.151 -16.235 1.158 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.329 -16.941 3.090 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.767 -14.721 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.784 -13.906 1.433 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.315 -14.386 2.202 1.00 0.00 H new ATOM 931 N ALA A 74 -6.069 -15.015 0.275 1.00 0.00 N ATOM 932 CA ALA A 74 -7.518 -15.003 0.441 1.00 0.00 C ATOM 933 C ALA A 74 -8.211 -14.551 -0.840 1.00 0.00 C ATOM 934 O ALA A 74 -8.340 -13.355 -1.098 1.00 0.00 O ATOM 935 CB ALA A 74 -7.909 -14.101 1.602 1.00 0.00 C ATOM 0 H ALA A 74 -5.638 -14.091 0.257 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.843 -16.020 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.993 -14.102 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.449 -14.469 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.565 -13.085 1.406 1.00 0.00 H new ATOM 941 N CYS A 75 -8.652 -15.516 -1.641 1.00 0.00 N ATOM 942 CA CYS A 75 -9.327 -15.217 -2.898 1.00 0.00 C ATOM 943 C CYS A 75 -10.720 -15.839 -2.930 1.00 0.00 C ATOM 944 O CYS A 75 -10.879 -17.015 -3.256 1.00 0.00 O ATOM 945 CB CYS A 75 -8.497 -15.729 -4.075 1.00 0.00 C ATOM 946 SG CYS A 75 -9.155 -15.268 -5.712 1.00 0.00 S ATOM 0 H CYS A 75 -8.554 -16.511 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 75 -9.433 -14.135 -2.979 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -7.481 -15.344 -3.983 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.433 -16.815 -4.015 1.00 0.00 H new ATOM 951 N THR A 76 -11.726 -15.039 -2.589 1.00 0.00 N ATOM 952 CA THR A 76 -13.107 -15.507 -2.579 1.00 0.00 C ATOM 953 C THR A 76 -13.654 -15.621 -3.998 1.00 0.00 C ATOM 954 O THR A 76 -14.063 -16.698 -4.433 1.00 0.00 O ATOM 955 CB THR A 76 -13.982 -14.558 -1.757 1.00 0.00 C ATOM 956 OG1 THR A 76 -13.242 -13.993 -0.689 1.00 0.00 O ATOM 957 CG2 THR A 76 -15.203 -15.229 -1.167 1.00 0.00 C ATOM 0 H THR A 76 -11.610 -14.063 -2.316 1.00 0.00 H new ATOM 0 HA THR A 76 -13.126 -16.496 -2.122 1.00 0.00 H new ATOM 0 HB THR A 76 -14.313 -13.791 -2.457 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.818 -13.388 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.779 -14.500 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.821 -15.632 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.890 -16.039 -0.509 1.00 0.00 H new ATOM 965 N ASN A 77 -13.657 -14.502 -4.714 1.00 0.00 N ATOM 966 CA ASN A 77 -14.153 -14.471 -6.086 1.00 0.00 C ATOM 967 C ASN A 77 -13.466 -13.362 -6.880 1.00 0.00 C ATOM 968 O ASN A 77 -14.123 -12.499 -7.462 1.00 0.00 O ATOM 969 CB ASN A 77 -15.669 -14.269 -6.097 1.00 0.00 C ATOM 970 CG ASN A 77 -16.366 -15.165 -7.102 1.00 0.00 C ATOM 971 OD1 ASN A 77 -17.112 -14.693 -7.959 1.00 0.00 O ATOM 972 ND2 ASN A 77 -16.125 -16.468 -7.000 1.00 0.00 N ATOM 0 H ASN A 77 -13.321 -13.603 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 77 -13.923 -15.426 -6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.066 -14.467 -5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.892 -13.227 -6.328 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.566 -17.120 -7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.499 -16.816 -6.274 1.00 0.00 H new ATOM 979 N SER A 78 -12.137 -13.392 -6.893 1.00 0.00 N ATOM 980 CA SER A 78 -11.354 -12.389 -7.606 1.00 0.00 C ATOM 981 C SER A 78 -10.510 -13.033 -8.702 1.00 0.00 C ATOM 982 O SER A 78 -10.242 -14.234 -8.667 1.00 0.00 O ATOM 983 CB SER A 78 -10.450 -11.641 -6.626 1.00 0.00 C ATOM 984 OG SER A 78 -11.143 -10.569 -6.009 1.00 0.00 O ATOM 0 H SER A 78 -11.579 -14.101 -6.417 1.00 0.00 H new ATOM 0 HA SER A 78 -12.043 -11.685 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.086 -12.330 -5.864 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.576 -11.258 -7.153 1.00 0.00 H new ATOM 0 HG SER A 78 -12.079 -10.575 -6.299 1.00 0.00 H new ATOM 990 N SER A 79 -10.089 -12.227 -9.675 1.00 0.00 N ATOM 991 CA SER A 79 -9.272 -12.725 -10.775 1.00 0.00 C ATOM 992 C SER A 79 -7.789 -12.600 -10.449 1.00 0.00 C ATOM 993 O SER A 79 -7.386 -11.732 -9.676 1.00 0.00 O ATOM 994 CB SER A 79 -9.592 -11.965 -12.063 1.00 0.00 C ATOM 995 OG SER A 79 -10.348 -12.765 -12.954 1.00 0.00 O ATOM 0 H SER A 79 -10.300 -11.230 -9.722 1.00 0.00 H new ATOM 0 HA SER A 79 -9.505 -13.780 -10.920 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.147 -11.057 -11.825 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.665 -11.655 -12.545 1.00 0.00 H new ATOM 0 HG SER A 79 -10.541 -12.255 -13.768 1.00 0.00 H new ATOM 1001 N GLY A 80 -6.980 -13.473 -11.042 1.00 0.00 N ATOM 1002 CA GLY A 80 -5.550 -13.441 -10.798 1.00 0.00 C ATOM 1003 C GLY A 80 -5.141 -14.288 -9.608 1.00 0.00 C ATOM 1004 O GLY A 80 -4.029 -14.813 -9.568 1.00 0.00 O ATOM 0 H GLY A 80 -7.289 -14.201 -11.686 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.026 -13.793 -11.687 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.237 -12.410 -10.630 1.00 0.00 H new ATOM 1008 N CYS A 81 -6.037 -14.418 -8.634 1.00 0.00 N ATOM 1009 CA CYS A 81 -5.753 -15.204 -7.437 1.00 0.00 C ATOM 1010 C CYS A 81 -6.378 -16.593 -7.519 1.00 0.00 C ATOM 1011 O CYS A 81 -7.292 -16.830 -8.309 1.00 0.00 O ATOM 1012 CB CYS A 81 -6.253 -14.479 -6.185 1.00 0.00 C ATOM 1013 SG CYS A 81 -7.927 -13.775 -6.335 1.00 0.00 S ATOM 0 H CYS A 81 -6.963 -13.991 -8.649 1.00 0.00 H new ATOM 0 HA CYS A 81 -4.671 -15.322 -7.372 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.240 -15.176 -5.347 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.556 -13.677 -5.943 1.00 0.00 H new ATOM 1018 N PRO A 82 -5.885 -17.535 -6.693 1.00 0.00 N ATOM 1019 CA PRO A 82 -6.389 -18.911 -6.665 1.00 0.00 C ATOM 1020 C PRO A 82 -7.912 -18.977 -6.624 1.00 0.00 C ATOM 1021 O PRO A 82 -8.567 -18.098 -6.064 1.00 0.00 O ATOM 1022 CB PRO A 82 -5.793 -19.473 -5.375 1.00 0.00 C ATOM 1023 CG PRO A 82 -4.530 -18.706 -5.180 1.00 0.00 C ATOM 1024 CD PRO A 82 -4.790 -17.328 -5.723 1.00 0.00 C ATOM 0 HA PRO A 82 -6.111 -19.466 -7.561 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.472 -19.339 -4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.599 -20.542 -5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.258 -18.664 -4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.701 -19.181 -5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.080 -16.635 -4.934 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.904 -16.913 -6.202 1.00 0.00 H new