USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 402 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 27 MET CE :methyl -163:sc= -2.25 (180deg=-3.26!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -4.03 K(o=-6.3,f=-5.7) USER MOD Set 2.1: A 4 HIS : no HE2:sc= -6.08! C(o=-10!,f=-10!) USER MOD Set 2.2: A 66 ASN : amide:sc= -4.36! C(o=-10!,f=-15!) USER MOD Single : A 1 ILE N :NH3+ -143:sc= -3.65! (180deg=-5.36!) USER MOD Single : A 5 THR OG1 : rot -95:sc= -5.92! USER MOD Single : A 6 THR OG1 : rot 150:sc= -2.27 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -4.33! C(o=-4.3!,f=-7!) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.551 USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= -0.549 (180deg=-1.09) USER MOD Single : A 34 SER OG : rot -61:sc= -0.358! USER MOD Single : A 35 SER OG : rot -51:sc= 1.05 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 180:sc= -0.114 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -121:sc= -0.733 (180deg=-0.917) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.482 USER MOD Single : A 62 THR OG1 : rot 21:sc= -0.347 USER MOD Single : A 64 LYS NZ :NH3+ -99:sc= -0.153 (180deg=-0.63) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.780 9.227 -2.141 1.00 0.00 N ATOM 2 CA ILE A 1 -1.199 10.433 -1.379 1.00 0.00 C ATOM 3 C ILE A 1 -1.805 10.044 -0.034 1.00 0.00 C ATOM 4 O ILE A 1 -1.765 10.817 0.923 1.00 0.00 O ATOM 5 CB ILE A 1 -2.237 11.277 -2.156 1.00 0.00 C ATOM 6 CG1 ILE A 1 -2.028 11.164 -3.670 1.00 0.00 C ATOM 7 CG2 ILE A 1 -2.163 12.732 -1.720 1.00 0.00 C ATOM 8 CD1 ILE A 1 -0.596 11.377 -4.112 1.00 0.00 C ATOM 0 H1 ILE A 1 0.101 9.430 -2.656 1.00 0.00 H new ATOM 0 H2 ILE A 1 -0.622 8.438 -1.482 1.00 0.00 H new ATOM 0 H3 ILE A 1 -1.525 8.968 -2.819 1.00 0.00 H new ATOM 0 HA ILE A 1 -0.299 11.029 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 1 -3.228 10.886 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.356 10.178 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -2.664 11.895 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.898 13.316 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -2.373 12.803 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.165 13.122 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -0.532 11.281 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -0.268 12.374 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 1 0.045 10.630 -3.643 1.00 0.00 H new ATOM 22 N VAL A 2 -2.381 8.848 0.023 1.00 0.00 N ATOM 23 CA VAL A 2 -3.016 8.351 1.240 1.00 0.00 C ATOM 24 C VAL A 2 -3.147 6.829 1.185 1.00 0.00 C ATOM 25 O VAL A 2 -3.347 6.265 0.110 1.00 0.00 O ATOM 26 CB VAL A 2 -4.416 8.976 1.426 1.00 0.00 C ATOM 27 CG1 VAL A 2 -4.370 10.121 2.425 1.00 0.00 C ATOM 28 CG2 VAL A 2 -4.977 9.456 0.093 1.00 0.00 C ATOM 0 H VAL A 2 -2.421 8.201 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.388 8.634 2.085 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.077 8.204 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.368 10.545 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.021 9.749 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.688 10.891 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.964 9.892 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.311 10.207 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.058 8.613 -0.593 1.00 0.00 H new ATOM 38 N CYS A 3 -3.026 6.157 2.333 1.00 0.00 N ATOM 39 CA CYS A 3 -3.127 4.695 2.348 1.00 0.00 C ATOM 40 C CYS A 3 -4.520 4.231 1.920 1.00 0.00 C ATOM 41 O CYS A 3 -4.915 4.445 0.777 1.00 0.00 O ATOM 42 CB CYS A 3 -2.738 4.087 3.709 1.00 0.00 C ATOM 43 SG CYS A 3 -3.130 5.110 5.159 1.00 0.00 S ATOM 0 H CYS A 3 -2.862 6.588 3.243 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.404 4.328 1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.242 3.126 3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.667 3.887 3.706 1.00 0.00 H new ATOM 48 N HIS A 4 -5.260 3.588 2.820 1.00 0.00 N ATOM 49 CA HIS A 4 -6.588 3.090 2.484 1.00 0.00 C ATOM 50 C HIS A 4 -7.595 4.214 2.389 1.00 0.00 C ATOM 51 O HIS A 4 -8.541 4.302 3.171 1.00 0.00 O ATOM 52 CB HIS A 4 -7.031 2.041 3.486 1.00 0.00 C ATOM 53 CG HIS A 4 -6.152 0.838 3.463 1.00 0.00 C ATOM 54 ND1 HIS A 4 -6.631 -0.449 3.446 1.00 0.00 N ATOM 55 CD2 HIS A 4 -4.803 0.736 3.478 1.00 0.00 C ATOM 56 CE1 HIS A 4 -5.619 -1.291 3.470 1.00 0.00 C ATOM 57 NE2 HIS A 4 -4.496 -0.598 3.491 1.00 0.00 N ATOM 0 H HIS A 4 -4.965 3.402 3.778 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.532 2.623 1.501 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -7.028 2.472 4.487 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -8.057 1.744 3.270 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -7.616 -0.711 3.419 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.099 1.555 3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.695 -2.368 3.472 1.00 0.00 H new ATOM 66 N THR A 5 -7.376 5.067 1.409 1.00 0.00 N ATOM 67 CA THR A 5 -8.237 6.197 1.162 1.00 0.00 C ATOM 68 C THR A 5 -9.571 5.735 0.569 1.00 0.00 C ATOM 69 O THR A 5 -10.616 5.865 1.206 1.00 0.00 O ATOM 70 CB THR A 5 -7.495 7.179 0.243 1.00 0.00 C ATOM 71 OG1 THR A 5 -7.050 8.286 0.997 1.00 0.00 O ATOM 72 CG2 THR A 5 -8.325 7.730 -0.904 1.00 0.00 C ATOM 0 H THR A 5 -6.592 4.992 0.761 1.00 0.00 H new ATOM 0 HA THR A 5 -8.476 6.708 2.095 1.00 0.00 H new ATOM 0 HB THR A 5 -6.679 6.599 -0.188 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.705 9.012 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.717 8.413 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.667 6.908 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.187 8.264 -0.505 1.00 0.00 H new ATOM 80 N THR A 6 -9.517 5.177 -0.642 1.00 0.00 N ATOM 81 CA THR A 6 -10.708 4.668 -1.334 1.00 0.00 C ATOM 82 C THR A 6 -11.970 5.459 -0.985 1.00 0.00 C ATOM 83 O THR A 6 -13.049 4.883 -0.839 1.00 0.00 O ATOM 84 CB THR A 6 -10.917 3.193 -0.994 1.00 0.00 C ATOM 85 OG1 THR A 6 -9.676 2.522 -0.886 1.00 0.00 O ATOM 86 CG2 THR A 6 -11.750 2.454 -2.020 1.00 0.00 C ATOM 0 H THR A 6 -8.652 5.064 -1.171 1.00 0.00 H new ATOM 0 HA THR A 6 -10.533 4.786 -2.403 1.00 0.00 H new ATOM 0 HB THR A 6 -11.452 3.190 -0.044 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.756 1.787 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.860 1.413 -1.718 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.734 2.917 -2.091 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.256 2.500 -2.991 1.00 0.00 H new ATOM 94 N ALA A 7 -11.834 6.772 -0.850 1.00 0.00 N ATOM 95 CA ALA A 7 -12.969 7.620 -0.517 1.00 0.00 C ATOM 96 C ALA A 7 -12.582 9.101 -0.582 1.00 0.00 C ATOM 97 O ALA A 7 -11.898 9.528 -1.511 1.00 0.00 O ATOM 98 CB ALA A 7 -13.507 7.245 0.858 1.00 0.00 C ATOM 0 H ALA A 7 -10.952 7.271 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 7 -13.759 7.460 -1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -14.356 7.883 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -13.826 6.203 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.724 7.381 1.604 1.00 0.00 H new ATOM 104 N THR A 8 -13.022 9.881 0.403 1.00 0.00 N ATOM 105 CA THR A 8 -12.717 11.306 0.444 1.00 0.00 C ATOM 106 C THR A 8 -12.311 11.734 1.851 1.00 0.00 C ATOM 107 O THR A 8 -11.280 12.378 2.041 1.00 0.00 O ATOM 108 CB THR A 8 -13.927 12.118 -0.021 1.00 0.00 C ATOM 109 OG1 THR A 8 -14.625 11.435 -1.047 1.00 0.00 O ATOM 110 CG2 THR A 8 -13.561 13.488 -0.548 1.00 0.00 C ATOM 0 H THR A 8 -13.590 9.549 1.182 1.00 0.00 H new ATOM 0 HA THR A 8 -11.880 11.495 -0.228 1.00 0.00 H new ATOM 0 HB THR A 8 -14.550 12.242 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.396 11.970 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.465 14.011 -0.861 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.065 14.059 0.237 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.890 13.383 -1.400 1.00 0.00 H new ATOM 223 N PRO A 17 2.687 11.667 7.125 1.00 0.00 N ATOM 224 CA PRO A 17 3.111 13.011 6.712 1.00 0.00 C ATOM 225 C PRO A 17 2.623 13.409 5.316 1.00 0.00 C ATOM 226 O PRO A 17 2.405 12.556 4.458 1.00 0.00 O ATOM 227 CB PRO A 17 4.628 12.887 6.742 1.00 0.00 C ATOM 228 CG PRO A 17 4.900 11.955 7.877 1.00 0.00 C ATOM 229 CD PRO A 17 3.712 11.023 7.971 1.00 0.00 C ATOM 0 HA PRO A 17 2.700 13.788 7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.013 12.492 5.802 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.103 13.855 6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.819 11.394 7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.033 12.507 8.807 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.958 10.024 7.610 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.370 10.914 9.000 1.00 0.00 H new ATOM 237 N PRO A 18 2.436 14.724 5.078 1.00 0.00 N ATOM 238 CA PRO A 18 1.961 15.244 3.787 1.00 0.00 C ATOM 239 C PRO A 18 3.026 15.195 2.693 1.00 0.00 C ATOM 240 O PRO A 18 4.216 15.061 2.975 1.00 0.00 O ATOM 241 CB PRO A 18 1.601 16.693 4.108 1.00 0.00 C ATOM 242 CG PRO A 18 2.502 17.058 5.234 1.00 0.00 C ATOM 243 CD PRO A 18 2.665 15.807 6.054 1.00 0.00 C ATOM 0 HA PRO A 18 1.135 14.651 3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.759 17.342 3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.553 16.789 4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.465 17.411 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.074 17.863 5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.659 15.744 6.498 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.947 15.768 6.873 1.00 0.00 H new ATOM 251 N GLY A 19 2.583 15.313 1.443 1.00 0.00 N ATOM 252 CA GLY A 19 3.502 15.287 0.317 1.00 0.00 C ATOM 253 C GLY A 19 4.169 13.937 0.144 1.00 0.00 C ATOM 254 O GLY A 19 3.991 13.043 0.970 1.00 0.00 O ATOM 0 H GLY A 19 1.601 15.426 1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.962 15.541 -0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.266 16.051 0.458 1.00 0.00 H new ATOM 258 N GLU A 20 4.943 13.792 -0.934 1.00 0.00 N ATOM 259 CA GLU A 20 5.647 12.540 -1.218 1.00 0.00 C ATOM 260 C GLU A 20 6.304 11.989 0.044 1.00 0.00 C ATOM 261 O GLU A 20 7.415 12.385 0.390 1.00 0.00 O ATOM 262 CB GLU A 20 6.703 12.758 -2.303 1.00 0.00 C ATOM 263 CG GLU A 20 6.138 13.315 -3.600 1.00 0.00 C ATOM 264 CD GLU A 20 6.496 14.773 -3.813 1.00 0.00 C ATOM 265 OE1 GLU A 20 6.856 15.447 -2.824 1.00 0.00 O ATOM 266 OE2 GLU A 20 6.419 15.241 -4.968 1.00 0.00 O ATOM 0 H GLU A 20 5.098 14.526 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 20 4.916 11.814 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.464 13.441 -1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.200 11.810 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.513 12.727 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.053 13.208 -3.595 1.00 0.00 H new ATOM 273 N ASN A 21 5.592 11.077 0.714 1.00 0.00 N ATOM 274 CA ASN A 21 6.056 10.440 1.957 1.00 0.00 C ATOM 275 C ASN A 21 4.894 10.251 2.930 1.00 0.00 C ATOM 276 O ASN A 21 5.080 10.299 4.146 1.00 0.00 O ATOM 277 CB ASN A 21 7.150 11.261 2.655 1.00 0.00 C ATOM 278 CG ASN A 21 6.705 12.676 2.968 1.00 0.00 C ATOM 279 OD1 ASN A 21 5.508 12.964 3.020 1.00 0.00 O ATOM 280 ND2 ASN A 21 7.666 13.568 3.176 1.00 0.00 N ATOM 0 H ASN A 21 4.673 10.756 0.410 1.00 0.00 H new ATOM 0 HA ASN A 21 6.473 9.473 1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.440 10.762 3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.035 11.294 2.020 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.426 14.536 3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.645 13.285 3.123 1.00 0.00 H new ATOM 287 N LEU A 22 3.696 10.033 2.396 1.00 0.00 N ATOM 288 CA LEU A 22 2.520 9.840 3.229 1.00 0.00 C ATOM 289 C LEU A 22 2.393 8.370 3.631 1.00 0.00 C ATOM 290 O LEU A 22 3.396 7.711 3.898 1.00 0.00 O ATOM 291 CB LEU A 22 1.266 10.320 2.489 1.00 0.00 C ATOM 292 CG LEU A 22 1.323 11.768 1.985 1.00 0.00 C ATOM 293 CD1 LEU A 22 1.257 11.817 0.466 1.00 0.00 C ATOM 294 CD2 LEU A 22 0.193 12.588 2.594 1.00 0.00 C ATOM 0 H LEU A 22 3.517 9.986 1.393 1.00 0.00 H new ATOM 0 HA LEU A 22 2.626 10.431 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.091 9.662 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.408 10.216 3.154 1.00 0.00 H new ATOM 0 HG LEU A 22 2.274 12.200 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.299 12.854 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.100 11.267 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.325 11.365 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.248 13.613 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.766 12.152 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.287 12.587 3.680 1.00 0.00 H new ATOM 306 N CYS A 23 1.165 7.859 3.680 1.00 0.00 N ATOM 307 CA CYS A 23 0.934 6.472 4.054 1.00 0.00 C ATOM 308 C CYS A 23 1.729 5.524 3.155 1.00 0.00 C ATOM 309 O CYS A 23 2.575 5.969 2.378 1.00 0.00 O ATOM 310 CB CYS A 23 -0.552 6.161 3.987 1.00 0.00 C ATOM 311 SG CYS A 23 -1.334 5.926 5.618 1.00 0.00 S ATOM 0 H CYS A 23 0.318 8.386 3.465 1.00 0.00 H new ATOM 0 HA CYS A 23 1.279 6.324 5.077 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.060 6.972 3.466 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.698 5.259 3.392 1.00 0.00 H new ATOM 316 N TYR A 24 1.488 4.217 3.273 1.00 0.00 N ATOM 317 CA TYR A 24 2.237 3.257 2.471 1.00 0.00 C ATOM 318 C TYR A 24 1.691 1.833 2.575 1.00 0.00 C ATOM 319 O TYR A 24 1.070 1.454 3.568 1.00 0.00 O ATOM 320 CB TYR A 24 3.687 3.287 2.946 1.00 0.00 C ATOM 321 CG TYR A 24 4.721 2.874 1.922 1.00 0.00 C ATOM 322 CD1 TYR A 24 4.422 2.806 0.569 1.00 0.00 C ATOM 323 CD2 TYR A 24 6.013 2.554 2.322 1.00 0.00 C ATOM 324 CE1 TYR A 24 5.377 2.431 -0.350 1.00 0.00 C ATOM 325 CE2 TYR A 24 6.974 2.180 1.407 1.00 0.00 C ATOM 326 CZ TYR A 24 6.651 2.117 0.070 1.00 0.00 C ATOM 327 OH TYR A 24 7.603 1.745 -0.849 1.00 0.00 O ATOM 0 H TYR A 24 0.796 3.809 3.902 1.00 0.00 H new ATOM 0 HA TYR A 24 2.148 3.543 1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.919 4.297 3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.780 2.633 3.813 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.426 3.051 0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.269 2.599 3.370 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.127 2.383 -1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.974 1.938 1.737 1.00 0.00 H new ATOM 0 HH TYR A 24 8.447 1.558 -0.388 1.00 0.00 H new ATOM 337 N ARG A 25 1.965 1.051 1.533 1.00 0.00 N ATOM 338 CA ARG A 25 1.559 -0.346 1.454 1.00 0.00 C ATOM 339 C ARG A 25 2.647 -1.120 0.704 1.00 0.00 C ATOM 340 O ARG A 25 3.054 -0.715 -0.382 1.00 0.00 O ATOM 341 CB ARG A 25 0.215 -0.489 0.721 1.00 0.00 C ATOM 342 CG ARG A 25 -0.915 0.377 1.274 1.00 0.00 C ATOM 343 CD ARG A 25 -1.793 -0.405 2.235 1.00 0.00 C ATOM 344 NE ARG A 25 -1.080 -0.804 3.449 1.00 0.00 N ATOM 345 CZ ARG A 25 -1.354 -1.909 4.148 1.00 0.00 C ATOM 346 NH1 ARG A 25 -2.302 -2.748 3.745 1.00 0.00 N ATOM 347 NH2 ARG A 25 -0.678 -2.176 5.257 1.00 0.00 N ATOM 0 H ARG A 25 2.480 1.374 0.714 1.00 0.00 H new ATOM 0 HA ARG A 25 1.432 -0.744 2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.363 -0.240 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.095 -1.533 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.495 1.243 1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.521 0.756 0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.657 0.201 2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.174 -1.294 1.732 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.327 -0.201 3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.829 -2.551 2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.503 -3.589 4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.051 -1.538 5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.887 -3.020 5.791 1.00 0.00 H new ATOM 361 N LYS A 26 3.134 -2.207 1.295 1.00 0.00 N ATOM 362 CA LYS A 26 4.211 -3.002 0.675 1.00 0.00 C ATOM 363 C LYS A 26 3.897 -4.496 0.634 1.00 0.00 C ATOM 364 O LYS A 26 3.369 -5.055 1.593 1.00 0.00 O ATOM 365 CB LYS A 26 5.527 -2.791 1.427 1.00 0.00 C ATOM 366 CG LYS A 26 5.557 -3.431 2.810 1.00 0.00 C ATOM 367 CD LYS A 26 6.969 -3.479 3.377 1.00 0.00 C ATOM 368 CE LYS A 26 7.186 -4.714 4.239 1.00 0.00 C ATOM 369 NZ LYS A 26 8.259 -5.591 3.697 1.00 0.00 N ATOM 0 H LYS A 26 2.810 -2.562 2.194 1.00 0.00 H new ATOM 0 HA LYS A 26 4.299 -2.652 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.344 -3.198 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.709 -1.721 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.912 -2.869 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.153 -4.442 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.690 -3.474 2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.154 -2.584 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.446 -4.408 5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.256 -5.278 4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.106 -6.568 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.238 -5.563 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.184 -5.256 4.034 1.00 0.00 H new ATOM 383 N MET A 27 4.250 -5.137 -0.485 1.00 0.00 N ATOM 384 CA MET A 27 4.024 -6.562 -0.674 1.00 0.00 C ATOM 385 C MET A 27 4.736 -7.401 0.385 1.00 0.00 C ATOM 386 O MET A 27 4.102 -7.943 1.290 1.00 0.00 O ATOM 387 CB MET A 27 4.502 -6.967 -2.068 1.00 0.00 C ATOM 388 CG MET A 27 3.556 -7.905 -2.779 1.00 0.00 C ATOM 389 SD MET A 27 3.496 -7.618 -4.558 1.00 0.00 S ATOM 390 CE MET A 27 3.002 -5.897 -4.605 1.00 0.00 C ATOM 0 H MET A 27 4.698 -4.679 -1.279 1.00 0.00 H new ATOM 0 HA MET A 27 2.955 -6.751 -0.572 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.635 -6.070 -2.673 1.00 0.00 H new ATOM 0 HB3 MET A 27 5.479 -7.443 -1.985 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.862 -8.934 -2.591 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.555 -7.789 -2.363 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.631 -5.652 -5.600 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.214 -5.724 -3.872 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.859 -5.266 -4.371 1.00 0.00 H new ATOM 400 N TRP A 28 6.056 -7.516 0.253 1.00 0.00 N ATOM 401 CA TRP A 28 6.865 -8.305 1.183 1.00 0.00 C ATOM 402 C TRP A 28 6.455 -8.069 2.634 1.00 0.00 C ATOM 403 O TRP A 28 5.881 -7.034 2.971 1.00 0.00 O ATOM 404 CB TRP A 28 8.347 -7.982 1.000 1.00 0.00 C ATOM 405 CG TRP A 28 9.254 -9.110 1.386 1.00 0.00 C ATOM 406 CD1 TRP A 28 9.071 -10.437 1.116 1.00 0.00 C ATOM 407 CD2 TRP A 28 10.486 -9.014 2.110 1.00 0.00 C ATOM 408 NE1 TRP A 28 10.114 -11.170 1.628 1.00 0.00 N ATOM 409 CE2 TRP A 28 10.996 -10.321 2.243 1.00 0.00 C ATOM 410 CE3 TRP A 28 11.208 -7.950 2.658 1.00 0.00 C ATOM 411 CZ2 TRP A 28 12.193 -10.590 2.901 1.00 0.00 C ATOM 412 CZ3 TRP A 28 12.397 -8.219 3.312 1.00 0.00 C ATOM 413 CH2 TRP A 28 12.879 -9.529 3.428 1.00 0.00 C ATOM 0 H TRP A 28 6.591 -7.071 -0.492 1.00 0.00 H new ATOM 0 HA TRP A 28 6.692 -9.357 0.956 1.00 0.00 H new ATOM 0 HB2 TRP A 28 8.528 -7.720 -0.043 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.596 -7.105 1.597 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.230 -10.849 0.579 1.00 0.00 H new ATOM 0 HE1 TRP A 28 10.215 -12.183 1.561 1.00 0.00 H new ATOM 0 HE3 TRP A 28 10.844 -6.937 2.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.567 -11.599 2.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.963 -7.405 3.740 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.811 -9.706 3.944 1.00 0.00 H new ATOM 424 N CYS A 29 6.759 -9.042 3.489 1.00 0.00 N ATOM 425 CA CYS A 29 6.428 -8.952 4.906 1.00 0.00 C ATOM 426 C CYS A 29 7.673 -8.639 5.732 1.00 0.00 C ATOM 427 O CYS A 29 8.735 -8.343 5.184 1.00 0.00 O ATOM 428 CB CYS A 29 5.795 -10.261 5.385 1.00 0.00 C ATOM 429 SG CYS A 29 6.887 -11.712 5.239 1.00 0.00 S ATOM 0 H CYS A 29 7.235 -9.904 3.223 1.00 0.00 H new ATOM 0 HA CYS A 29 5.712 -8.142 5.040 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.496 -10.148 6.427 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.887 -10.444 4.811 1.00 0.00 H new ATOM 434 N ASP A 30 7.535 -8.704 7.054 1.00 0.00 N ATOM 435 CA ASP A 30 8.649 -8.424 7.952 1.00 0.00 C ATOM 436 C ASP A 30 9.442 -9.694 8.252 1.00 0.00 C ATOM 437 O ASP A 30 10.575 -9.850 7.796 1.00 0.00 O ATOM 438 CB ASP A 30 8.138 -7.808 9.256 1.00 0.00 C ATOM 439 CG ASP A 30 9.265 -7.430 10.197 1.00 0.00 C ATOM 440 OD1 ASP A 30 10.344 -7.039 9.703 1.00 0.00 O ATOM 441 OD2 ASP A 30 9.070 -7.527 11.427 1.00 0.00 O ATOM 0 H ASP A 30 6.664 -8.948 7.525 1.00 0.00 H new ATOM 0 HA ASP A 30 9.311 -7.714 7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.546 -6.922 9.028 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.475 -8.516 9.754 1.00 0.00 H new ATOM 446 N ALA A 31 8.841 -10.595 9.021 1.00 0.00 N ATOM 447 CA ALA A 31 9.494 -11.848 9.381 1.00 0.00 C ATOM 448 C ALA A 31 8.890 -13.024 8.619 1.00 0.00 C ATOM 449 O ALA A 31 9.446 -13.477 7.619 1.00 0.00 O ATOM 450 CB ALA A 31 9.397 -12.080 10.881 1.00 0.00 C ATOM 0 H ALA A 31 7.904 -10.481 9.407 1.00 0.00 H new ATOM 0 HA ALA A 31 10.545 -11.774 9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.888 -13.019 11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.885 -11.260 11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.348 -12.128 11.175 1.00 0.00 H new ATOM 456 N PHE A 32 7.750 -13.516 9.097 1.00 0.00 N ATOM 457 CA PHE A 32 7.080 -14.641 8.456 1.00 0.00 C ATOM 458 C PHE A 32 5.912 -14.165 7.597 1.00 0.00 C ATOM 459 O PHE A 32 4.981 -13.531 8.092 1.00 0.00 O ATOM 460 CB PHE A 32 6.583 -15.634 9.508 1.00 0.00 C ATOM 461 CG PHE A 32 6.758 -17.072 9.107 1.00 0.00 C ATOM 462 CD1 PHE A 32 6.463 -17.489 7.818 1.00 0.00 C ATOM 463 CD2 PHE A 32 7.215 -18.009 10.021 1.00 0.00 C ATOM 464 CE1 PHE A 32 6.621 -18.811 7.449 1.00 0.00 C ATOM 465 CE2 PHE A 32 7.375 -19.332 9.657 1.00 0.00 C ATOM 466 CZ PHE A 32 7.077 -19.734 8.369 1.00 0.00 C ATOM 0 H PHE A 32 7.273 -13.154 9.923 1.00 0.00 H new ATOM 0 HA PHE A 32 7.803 -15.139 7.809 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.116 -15.458 10.442 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.527 -15.446 9.703 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.105 -16.772 7.094 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.449 -17.701 11.029 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.388 -19.122 6.441 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.733 -20.052 10.379 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.201 -20.768 8.083 1.00 0.00 H new ATOM 476 N CYS A 33 5.972 -14.478 6.307 1.00 0.00 N ATOM 477 CA CYS A 33 4.923 -14.088 5.373 1.00 0.00 C ATOM 478 C CYS A 33 3.726 -15.026 5.474 1.00 0.00 C ATOM 479 O CYS A 33 2.695 -14.671 6.047 1.00 0.00 O ATOM 480 CB CYS A 33 5.465 -14.082 3.943 1.00 0.00 C ATOM 481 SG CYS A 33 6.339 -12.550 3.471 1.00 0.00 S ATOM 0 H CYS A 33 6.738 -15.002 5.884 1.00 0.00 H new ATOM 0 HA CYS A 33 4.593 -13.083 5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.145 -14.925 3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.636 -14.240 3.253 1.00 0.00 H new ATOM 486 N SER A 34 3.863 -16.223 4.909 1.00 0.00 N ATOM 487 CA SER A 34 2.784 -17.206 4.932 1.00 0.00 C ATOM 488 C SER A 34 1.464 -16.563 4.515 1.00 0.00 C ATOM 489 O SER A 34 0.390 -16.985 4.942 1.00 0.00 O ATOM 490 CB SER A 34 2.648 -17.818 6.327 1.00 0.00 C ATOM 491 OG SER A 34 3.831 -17.631 7.083 1.00 0.00 O ATOM 0 H SER A 34 4.708 -16.535 4.431 1.00 0.00 H new ATOM 0 HA SER A 34 3.028 -17.997 4.223 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.805 -17.363 6.847 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.432 -18.883 6.241 1.00 0.00 H new ATOM 0 HG SER A 34 4.579 -18.079 6.636 1.00 0.00 H new ATOM 497 N SER A 35 1.561 -15.531 3.682 1.00 0.00 N ATOM 498 CA SER A 35 0.388 -14.812 3.206 1.00 0.00 C ATOM 499 C SER A 35 -0.054 -15.326 1.836 1.00 0.00 C ATOM 500 O SER A 35 -0.749 -14.628 1.099 1.00 0.00 O ATOM 501 CB SER A 35 0.694 -13.313 3.138 1.00 0.00 C ATOM 502 OG SER A 35 -0.336 -12.607 2.466 1.00 0.00 O ATOM 0 H SER A 35 2.446 -15.174 3.322 1.00 0.00 H new ATOM 0 HA SER A 35 -0.430 -14.982 3.907 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.811 -12.917 4.147 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.642 -13.156 2.623 1.00 0.00 H new ATOM 0 HG SER A 35 -0.524 -13.041 1.607 1.00 0.00 H new ATOM 508 N ARG A 36 0.350 -16.554 1.510 1.00 0.00 N ATOM 509 CA ARG A 36 -0.003 -17.178 0.236 1.00 0.00 C ATOM 510 C ARG A 36 0.098 -16.191 -0.924 1.00 0.00 C ATOM 511 O ARG A 36 -0.893 -15.905 -1.598 1.00 0.00 O ATOM 512 CB ARG A 36 -1.415 -17.759 0.313 1.00 0.00 C ATOM 513 CG ARG A 36 -1.869 -18.430 -0.974 1.00 0.00 C ATOM 514 CD ARG A 36 -2.386 -19.837 -0.720 1.00 0.00 C ATOM 515 NE ARG A 36 -1.299 -20.799 -0.557 1.00 0.00 N ATOM 516 CZ ARG A 36 -0.615 -21.326 -1.570 1.00 0.00 C ATOM 517 NH1 ARG A 36 -0.902 -20.987 -2.820 1.00 0.00 N ATOM 518 NH2 ARG A 36 0.359 -22.194 -1.333 1.00 0.00 N ATOM 0 H ARG A 36 0.926 -17.139 2.116 1.00 0.00 H new ATOM 0 HA ARG A 36 0.710 -17.981 0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.456 -18.485 1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.114 -16.961 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.653 -17.832 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.037 -18.469 -1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.008 -19.838 0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.021 -20.145 -1.550 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.049 -21.084 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.650 -20.320 -3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.375 -21.394 -3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.584 -22.458 -0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.883 -22.597 -2.110 1.00 0.00 H new ATOM 532 N GLY A 37 1.302 -15.676 -1.155 1.00 0.00 N ATOM 533 CA GLY A 37 1.508 -14.730 -2.235 1.00 0.00 C ATOM 534 C GLY A 37 1.999 -13.381 -1.747 1.00 0.00 C ATOM 535 O GLY A 37 2.854 -12.762 -2.380 1.00 0.00 O ATOM 0 H GLY A 37 2.138 -15.897 -0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.230 -15.142 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.573 -14.596 -2.779 1.00 0.00 H new ATOM 539 N LYS A 38 1.457 -12.923 -0.622 1.00 0.00 N ATOM 540 CA LYS A 38 1.850 -11.635 -0.057 1.00 0.00 C ATOM 541 C LYS A 38 1.518 -10.505 -1.025 1.00 0.00 C ATOM 542 O LYS A 38 2.050 -10.455 -2.134 1.00 0.00 O ATOM 543 CB LYS A 38 3.349 -11.622 0.263 1.00 0.00 C ATOM 544 CG LYS A 38 3.882 -12.955 0.773 1.00 0.00 C ATOM 545 CD LYS A 38 4.879 -13.571 -0.199 1.00 0.00 C ATOM 546 CE LYS A 38 6.039 -12.629 -0.488 1.00 0.00 C ATOM 547 NZ LYS A 38 6.246 -12.440 -1.950 1.00 0.00 N ATOM 0 H LYS A 38 0.747 -13.422 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 38 1.292 -11.485 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.900 -11.341 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.544 -10.853 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.360 -12.809 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.052 -13.644 0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.262 -14.504 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.372 -13.821 -1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.848 -11.663 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.950 -13.026 -0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.044 -11.792 -2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.453 -13.358 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.386 -12.038 -2.373 1.00 0.00 H new ATOM 627 N GLY A 43 2.550 1.209 5.753 1.00 0.00 N ATOM 628 CA GLY A 43 1.761 2.335 6.224 1.00 0.00 C ATOM 629 C GLY A 43 2.439 3.694 6.082 1.00 0.00 C ATOM 630 O GLY A 43 1.772 4.718 6.199 1.00 0.00 O ATOM 0 HA2 GLY A 43 0.819 2.355 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.515 2.175 7.274 1.00 0.00 H new ATOM 634 N CYS A 44 3.751 3.725 5.841 1.00 0.00 N ATOM 635 CA CYS A 44 4.457 4.999 5.698 1.00 0.00 C ATOM 636 C CYS A 44 5.633 4.888 4.733 1.00 0.00 C ATOM 637 O CYS A 44 6.518 4.052 4.904 1.00 0.00 O ATOM 638 CB CYS A 44 4.945 5.499 7.056 1.00 0.00 C ATOM 639 SG CYS A 44 4.776 7.299 7.285 1.00 0.00 S ATOM 0 H CYS A 44 4.338 2.897 5.742 1.00 0.00 H new ATOM 0 HA CYS A 44 3.748 5.717 5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.388 4.989 7.842 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.993 5.224 7.178 1.00 0.00 H new ATOM 0 HG CYS A 44 5.213 7.629 8.464 1.00 0.00 H new ATOM 644 N ALA A 45 5.620 5.745 3.716 1.00 0.00 N ATOM 645 CA ALA A 45 6.669 5.763 2.700 1.00 0.00 C ATOM 646 C ALA A 45 7.473 7.061 2.756 1.00 0.00 C ATOM 647 O ALA A 45 7.487 7.749 3.777 1.00 0.00 O ATOM 648 CB ALA A 45 6.055 5.572 1.319 1.00 0.00 C ATOM 0 H ALA A 45 4.889 6.441 3.573 1.00 0.00 H new ATOM 0 HA ALA A 45 7.356 4.941 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.843 5.586 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.534 4.615 1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.348 6.378 1.120 1.00 0.00 H new ATOM 654 N ALA A 46 8.148 7.385 1.653 1.00 0.00 N ATOM 655 CA ALA A 46 8.962 8.595 1.572 1.00 0.00 C ATOM 656 C ALA A 46 9.727 8.664 0.268 1.00 0.00 C ATOM 657 O ALA A 46 10.084 9.748 -0.193 1.00 0.00 O ATOM 658 CB ALA A 46 9.919 8.675 2.755 1.00 0.00 C ATOM 0 H ALA A 46 8.146 6.824 0.801 1.00 0.00 H new ATOM 0 HA ALA A 46 8.287 9.450 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.517 9.583 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.349 8.694 3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.576 7.806 2.751 1.00 0.00 H new ATOM 664 N THR A 47 10.002 7.512 -0.319 1.00 0.00 N ATOM 665 CA THR A 47 10.757 7.475 -1.562 1.00 0.00 C ATOM 666 C THR A 47 10.856 6.061 -2.125 1.00 0.00 C ATOM 667 O THR A 47 11.713 5.761 -2.955 1.00 0.00 O ATOM 668 CB THR A 47 12.131 8.047 -1.273 1.00 0.00 C ATOM 669 OG1 THR A 47 12.624 8.786 -2.377 1.00 0.00 O ATOM 670 CG2 THR A 47 13.161 6.998 -0.903 1.00 0.00 C ATOM 0 H THR A 47 9.719 6.600 0.038 1.00 0.00 H new ATOM 0 HA THR A 47 10.248 8.066 -2.323 1.00 0.00 H new ATOM 0 HB THR A 47 11.987 8.698 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 47 13.510 9.144 -2.161 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.119 7.481 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.835 6.468 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.270 6.290 -1.724 1.00 0.00 H new ATOM 678 N CYS A 48 9.968 5.208 -1.655 1.00 0.00 N ATOM 679 CA CYS A 48 9.915 3.812 -2.078 1.00 0.00 C ATOM 680 C CYS A 48 11.048 3.002 -1.446 1.00 0.00 C ATOM 681 O CYS A 48 11.854 2.398 -2.152 1.00 0.00 O ATOM 682 CB CYS A 48 9.985 3.700 -3.607 1.00 0.00 C ATOM 683 SG CYS A 48 9.071 4.995 -4.512 1.00 0.00 S ATOM 0 H CYS A 48 9.258 5.459 -0.967 1.00 0.00 H new ATOM 0 HA CYS A 48 8.963 3.403 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.031 3.733 -3.912 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.597 2.726 -3.904 1.00 0.00 H new ATOM 688 N PRO A 49 11.125 2.970 -0.100 1.00 0.00 N ATOM 689 CA PRO A 49 12.163 2.221 0.611 1.00 0.00 C ATOM 690 C PRO A 49 11.930 0.718 0.533 1.00 0.00 C ATOM 691 O PRO A 49 10.790 0.263 0.437 1.00 0.00 O ATOM 692 CB PRO A 49 12.045 2.704 2.067 1.00 0.00 C ATOM 693 CG PRO A 49 11.082 3.846 2.045 1.00 0.00 C ATOM 694 CD PRO A 49 10.217 3.646 0.835 1.00 0.00 C ATOM 0 HA PRO A 49 13.150 2.391 0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.687 1.904 2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.014 3.018 2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.481 3.865 2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.610 4.798 1.992 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.340 3.038 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.855 4.593 0.435 1.00 0.00 H new ATOM 702 N SER A 50 13.012 -0.051 0.577 1.00 0.00 N ATOM 703 CA SER A 50 12.914 -1.503 0.513 1.00 0.00 C ATOM 704 C SER A 50 12.274 -1.947 -0.800 1.00 0.00 C ATOM 705 O SER A 50 11.094 -1.693 -1.044 1.00 0.00 O ATOM 706 CB SER A 50 12.101 -2.031 1.698 1.00 0.00 C ATOM 707 OG SER A 50 12.797 -3.063 2.375 1.00 0.00 O ATOM 0 H SER A 50 13.964 0.306 0.656 1.00 0.00 H new ATOM 0 HA SER A 50 13.922 -1.915 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.890 -1.216 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.140 -2.407 1.345 1.00 0.00 H new ATOM 0 HG SER A 50 12.257 -3.382 3.128 1.00 0.00 H new ATOM 713 N LYS A 51 13.059 -2.614 -1.638 1.00 0.00 N ATOM 714 CA LYS A 51 12.576 -3.099 -2.928 1.00 0.00 C ATOM 715 C LYS A 51 13.696 -3.852 -3.660 1.00 0.00 C ATOM 716 O LYS A 51 13.980 -5.006 -3.336 1.00 0.00 O ATOM 717 CB LYS A 51 12.054 -1.923 -3.766 1.00 0.00 C ATOM 718 CG LYS A 51 11.576 -2.316 -5.153 1.00 0.00 C ATOM 719 CD LYS A 51 11.581 -1.128 -6.101 1.00 0.00 C ATOM 720 CE LYS A 51 10.246 -0.401 -6.092 1.00 0.00 C ATOM 721 NZ LYS A 51 10.141 0.557 -4.956 1.00 0.00 N ATOM 0 H LYS A 51 14.037 -2.833 -1.447 1.00 0.00 H new ATOM 0 HA LYS A 51 11.752 -3.794 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.232 -1.446 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.845 -1.180 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.217 -3.103 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.569 -2.727 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.374 -0.437 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.804 -1.469 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.119 0.136 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.437 -1.129 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.326 0.303 -4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.010 0.517 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.014 1.521 -5.325 1.00 0.00 H new ATOM 735 N LYS A 52 14.343 -3.201 -4.631 1.00 0.00 N ATOM 736 CA LYS A 52 15.438 -3.826 -5.373 1.00 0.00 C ATOM 737 C LYS A 52 14.906 -4.965 -6.251 1.00 0.00 C ATOM 738 O LYS A 52 13.695 -5.147 -6.347 1.00 0.00 O ATOM 739 CB LYS A 52 16.517 -4.336 -4.401 1.00 0.00 C ATOM 740 CG LYS A 52 16.601 -3.560 -3.090 1.00 0.00 C ATOM 741 CD LYS A 52 17.970 -2.927 -2.897 1.00 0.00 C ATOM 742 CE LYS A 52 19.021 -3.967 -2.543 1.00 0.00 C ATOM 743 NZ LYS A 52 20.370 -3.586 -3.046 1.00 0.00 N ATOM 0 H LYS A 52 14.128 -2.247 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 52 15.893 -3.080 -6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.321 -5.384 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.486 -4.292 -4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.836 -2.784 -3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.389 -4.230 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.264 -2.408 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.917 -2.178 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.059 -4.091 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.735 -4.931 -2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.058 -4.320 -2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.341 -3.492 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.654 -2.679 -2.624 1.00 0.00 H new ATOM 757 N PRO A 53 15.786 -5.748 -6.914 1.00 0.00 N ATOM 758 CA PRO A 53 15.354 -6.852 -7.780 1.00 0.00 C ATOM 759 C PRO A 53 14.222 -7.671 -7.164 1.00 0.00 C ATOM 760 O PRO A 53 13.227 -7.965 -7.828 1.00 0.00 O ATOM 761 CB PRO A 53 16.622 -7.689 -7.920 1.00 0.00 C ATOM 762 CG PRO A 53 17.722 -6.689 -7.853 1.00 0.00 C ATOM 763 CD PRO A 53 17.260 -5.625 -6.890 1.00 0.00 C ATOM 0 HA PRO A 53 14.950 -6.501 -8.730 1.00 0.00 H new ATOM 0 HB2 PRO A 53 16.704 -8.427 -7.122 1.00 0.00 H new ATOM 0 HB3 PRO A 53 16.637 -8.236 -8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 53 18.648 -7.150 -7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.923 -6.264 -8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 53 17.659 -5.790 -5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 53 17.584 -4.633 -7.203 1.00 0.00 H new ATOM 771 N TYR A 54 14.368 -8.022 -5.891 1.00 0.00 N ATOM 772 CA TYR A 54 13.342 -8.788 -5.195 1.00 0.00 C ATOM 773 C TYR A 54 12.074 -7.952 -5.048 1.00 0.00 C ATOM 774 O TYR A 54 10.961 -8.480 -5.033 1.00 0.00 O ATOM 775 CB TYR A 54 13.842 -9.227 -3.816 1.00 0.00 C ATOM 776 CG TYR A 54 15.261 -9.750 -3.823 1.00 0.00 C ATOM 777 CD1 TYR A 54 15.562 -10.992 -4.368 1.00 0.00 C ATOM 778 CD2 TYR A 54 16.299 -9.002 -3.283 1.00 0.00 C ATOM 779 CE1 TYR A 54 16.858 -11.473 -4.374 1.00 0.00 C ATOM 780 CE2 TYR A 54 17.598 -9.475 -3.286 1.00 0.00 C ATOM 781 CZ TYR A 54 17.871 -10.711 -3.833 1.00 0.00 C ATOM 782 OH TYR A 54 19.163 -11.187 -3.839 1.00 0.00 O ATOM 0 H TYR A 54 15.183 -7.790 -5.323 1.00 0.00 H new ATOM 0 HA TYR A 54 13.116 -9.678 -5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.779 -8.382 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 54 13.180 -10.002 -3.429 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.771 -11.591 -4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.088 -8.034 -2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 54 17.076 -12.441 -4.800 1.00 0.00 H new ATOM 0 HE2 TYR A 54 18.394 -8.880 -2.863 1.00 0.00 H new ATOM 0 HH TYR A 54 19.756 -10.528 -3.421 1.00 0.00 H new ATOM 838 N THR A 58 5.789 -0.376 -4.178 1.00 0.00 N ATOM 839 CA THR A 58 5.691 0.421 -5.397 1.00 0.00 C ATOM 840 C THR A 58 5.302 1.866 -5.078 1.00 0.00 C ATOM 841 O THR A 58 4.764 2.573 -5.930 1.00 0.00 O ATOM 842 CB THR A 58 4.669 -0.196 -6.352 1.00 0.00 C ATOM 843 OG1 THR A 58 3.348 0.069 -5.912 1.00 0.00 O ATOM 844 CG2 THR A 58 4.811 -1.697 -6.495 1.00 0.00 C ATOM 0 HA THR A 58 6.670 0.427 -5.876 1.00 0.00 H new ATOM 0 HB THR A 58 4.864 0.265 -7.320 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.708 -0.332 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.055 -2.070 -7.187 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.803 -1.934 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.677 -2.170 -5.522 1.00 0.00 H new ATOM 852 N CYS A 59 5.579 2.298 -3.849 1.00 0.00 N ATOM 853 CA CYS A 59 5.260 3.659 -3.422 1.00 0.00 C ATOM 854 C CYS A 59 3.768 3.945 -3.545 1.00 0.00 C ATOM 855 O CYS A 59 3.024 3.180 -4.159 1.00 0.00 O ATOM 856 CB CYS A 59 6.062 4.673 -4.238 1.00 0.00 C ATOM 857 SG CYS A 59 7.469 5.397 -3.331 1.00 0.00 S ATOM 0 H CYS A 59 6.024 1.725 -3.132 1.00 0.00 H new ATOM 0 HA CYS A 59 5.534 3.752 -2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.434 4.187 -5.140 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.397 5.475 -4.559 1.00 0.00 H new ATOM 862 N CYS A 60 3.343 5.058 -2.955 1.00 0.00 N ATOM 863 CA CYS A 60 1.956 5.469 -2.986 1.00 0.00 C ATOM 864 C CYS A 60 1.630 6.090 -4.337 1.00 0.00 C ATOM 865 O CYS A 60 2.288 5.805 -5.336 1.00 0.00 O ATOM 866 CB CYS A 60 1.696 6.463 -1.843 1.00 0.00 C ATOM 867 SG CYS A 60 0.189 6.124 -0.871 1.00 0.00 S ATOM 0 H CYS A 60 3.955 5.695 -2.444 1.00 0.00 H new ATOM 0 HA CYS A 60 1.309 4.602 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.555 6.457 -1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.625 7.467 -2.261 1.00 0.00 H new ATOM 872 N SER A 61 0.614 6.934 -4.357 1.00 0.00 N ATOM 873 CA SER A 61 0.186 7.605 -5.583 1.00 0.00 C ATOM 874 C SER A 61 -1.180 8.252 -5.396 1.00 0.00 C ATOM 875 O SER A 61 -1.399 9.382 -5.829 1.00 0.00 O ATOM 876 CB SER A 61 0.133 6.620 -6.757 1.00 0.00 C ATOM 877 OG SER A 61 -0.652 7.131 -7.820 1.00 0.00 O ATOM 0 H SER A 61 0.063 7.176 -3.534 1.00 0.00 H new ATOM 0 HA SER A 61 0.918 8.381 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.144 6.419 -7.112 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.281 5.670 -6.420 1.00 0.00 H new ATOM 0 HG SER A 61 -0.668 6.484 -8.556 1.00 0.00 H new ATOM 883 N THR A 62 -2.094 7.522 -4.745 1.00 0.00 N ATOM 884 CA THR A 62 -3.454 8.014 -4.486 1.00 0.00 C ATOM 885 C THR A 62 -4.445 6.868 -4.287 1.00 0.00 C ATOM 886 O THR A 62 -4.446 5.894 -5.039 1.00 0.00 O ATOM 887 CB THR A 62 -3.956 8.908 -5.629 1.00 0.00 C ATOM 888 OG1 THR A 62 -5.356 9.104 -5.535 1.00 0.00 O ATOM 889 CG2 THR A 62 -3.666 8.349 -7.005 1.00 0.00 C ATOM 0 H THR A 62 -1.916 6.584 -4.386 1.00 0.00 H new ATOM 0 HA THR A 62 -3.396 8.598 -3.567 1.00 0.00 H new ATOM 0 HB THR A 62 -3.414 9.847 -5.515 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.651 8.924 -4.618 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.048 9.032 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.590 8.233 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.151 7.379 -7.113 1.00 0.00 H new ATOM 897 N ASP A 63 -5.305 7.018 -3.282 1.00 0.00 N ATOM 898 CA ASP A 63 -6.339 6.028 -2.975 1.00 0.00 C ATOM 899 C ASP A 63 -5.766 4.642 -2.709 1.00 0.00 C ATOM 900 O ASP A 63 -5.028 4.097 -3.527 1.00 0.00 O ATOM 901 CB ASP A 63 -7.354 5.956 -4.116 1.00 0.00 C ATOM 902 CG ASP A 63 -8.126 7.250 -4.287 1.00 0.00 C ATOM 903 OD1 ASP A 63 -7.487 8.295 -4.533 1.00 0.00 O ATOM 904 OD2 ASP A 63 -9.370 7.218 -4.178 1.00 0.00 O ATOM 0 H ASP A 63 -5.306 7.825 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.830 6.357 -2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.835 5.720 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.053 5.142 -3.926 1.00 0.00 H new ATOM 909 N LYS A 64 -6.136 4.070 -1.559 1.00 0.00 N ATOM 910 CA LYS A 64 -5.683 2.732 -1.174 1.00 0.00 C ATOM 911 C LYS A 64 -4.200 2.682 -0.975 1.00 0.00 C ATOM 912 O LYS A 64 -3.735 2.318 0.105 1.00 0.00 O ATOM 913 CB LYS A 64 -6.101 1.703 -2.219 1.00 0.00 C ATOM 914 CG LYS A 64 -7.556 1.281 -2.109 1.00 0.00 C ATOM 915 CD LYS A 64 -7.774 -0.117 -2.661 1.00 0.00 C ATOM 916 CE LYS A 64 -7.243 -1.179 -1.712 1.00 0.00 C ATOM 917 NZ LYS A 64 -8.169 -2.340 -1.605 1.00 0.00 N ATOM 0 H LYS A 64 -6.750 4.515 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.158 2.492 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.925 2.115 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.467 0.821 -2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.867 1.314 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.183 1.989 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.838 -0.280 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.278 -0.210 -3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.269 -1.522 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.093 -0.742 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.745 -2.247 -0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.792 -2.365 -2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.618 -3.221 -1.559 1.00 0.00 H new ATOM 931 N CYS A 65 -3.446 3.007 -2.006 1.00 0.00 N ATOM 932 CA CYS A 65 -2.013 2.949 -1.900 1.00 0.00 C ATOM 933 C CYS A 65 -1.576 1.480 -1.917 1.00 0.00 C ATOM 934 O CYS A 65 -0.428 1.169 -2.230 1.00 0.00 O ATOM 935 CB CYS A 65 -1.577 3.684 -0.631 1.00 0.00 C ATOM 936 SG CYS A 65 0.193 4.115 -0.577 1.00 0.00 S ATOM 0 H CYS A 65 -3.801 3.310 -2.913 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.531 3.444 -2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.163 4.598 -0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.813 3.063 0.233 1.00 0.00 H new ATOM 941 N ASN A 66 -2.532 0.577 -1.610 1.00 0.00 N ATOM 942 CA ASN A 66 -2.307 -0.868 -1.625 1.00 0.00 C ATOM 943 C ASN A 66 -1.533 -1.300 -2.884 1.00 0.00 C ATOM 944 O ASN A 66 -1.090 -0.463 -3.668 1.00 0.00 O ATOM 945 CB ASN A 66 -3.671 -1.567 -1.589 1.00 0.00 C ATOM 946 CG ASN A 66 -3.933 -2.299 -0.287 1.00 0.00 C ATOM 947 OD1 ASN A 66 -3.321 -3.327 0.002 1.00 0.00 O ATOM 948 ND2 ASN A 66 -4.857 -1.772 0.506 1.00 0.00 N ATOM 0 H ASN A 66 -3.481 0.840 -1.345 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.709 -1.146 -0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.456 -0.827 -1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.731 -2.276 -2.415 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.084 -2.221 1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.341 -0.918 0.228 1.00 0.00 H new ATOM 955 N PRO A 67 -1.359 -2.618 -3.102 1.00 0.00 N ATOM 956 CA PRO A 67 -0.638 -3.133 -4.259 1.00 0.00 C ATOM 957 C PRO A 67 -1.531 -3.345 -5.479 1.00 0.00 C ATOM 958 O PRO A 67 -1.253 -2.817 -6.556 1.00 0.00 O ATOM 959 CB PRO A 67 -0.103 -4.466 -3.747 1.00 0.00 C ATOM 960 CG PRO A 67 -1.112 -4.930 -2.747 1.00 0.00 C ATOM 961 CD PRO A 67 -1.843 -3.711 -2.242 1.00 0.00 C ATOM 0 HA PRO A 67 0.128 -2.440 -4.606 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.007 -5.185 -4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.880 -4.348 -3.290 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.809 -5.633 -3.203 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.624 -5.453 -1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.923 -3.833 -2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.621 -3.520 -1.192 1.00 0.00 H new ATOM 969 N HIS A 68 -2.598 -4.124 -5.314 1.00 0.00 N ATOM 970 CA HIS A 68 -3.509 -4.399 -6.422 1.00 0.00 C ATOM 971 C HIS A 68 -4.924 -4.680 -5.920 1.00 0.00 C ATOM 972 O HIS A 68 -5.269 -5.824 -5.624 1.00 0.00 O ATOM 973 CB HIS A 68 -3.011 -5.590 -7.253 1.00 0.00 C ATOM 974 CG HIS A 68 -1.555 -5.896 -7.071 1.00 0.00 C ATOM 975 ND1 HIS A 68 -1.099 -6.956 -6.315 1.00 0.00 N ATOM 976 CD2 HIS A 68 -0.452 -5.275 -7.551 1.00 0.00 C ATOM 977 CE1 HIS A 68 0.222 -6.973 -6.338 1.00 0.00 C ATOM 978 NE2 HIS A 68 0.639 -5.965 -7.082 1.00 0.00 N ATOM 0 H HIS A 68 -2.851 -4.572 -4.433 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.534 -3.510 -7.052 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.593 -6.473 -6.988 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.200 -5.388 -8.307 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.689 -7.622 -5.816 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.433 -4.400 -8.184 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.853 -7.690 -5.834 1.00 0.00 H new ATOM 987 N PRO A 69 -5.767 -3.638 -5.825 1.00 0.00 N ATOM 988 CA PRO A 69 -7.150 -3.784 -5.367 1.00 0.00 C ATOM 989 C PRO A 69 -8.056 -4.372 -6.445 1.00 0.00 C ATOM 990 O PRO A 69 -9.102 -4.945 -6.145 1.00 0.00 O ATOM 991 CB PRO A 69 -7.560 -2.350 -5.044 1.00 0.00 C ATOM 992 CG PRO A 69 -6.748 -1.512 -5.971 1.00 0.00 C ATOM 993 CD PRO A 69 -5.443 -2.238 -6.163 1.00 0.00 C ATOM 0 HA PRO A 69 -7.236 -4.468 -4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.627 -2.197 -5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.354 -2.103 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.261 -1.376 -6.923 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.583 -0.519 -5.554 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.081 -2.147 -7.187 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.664 -1.839 -5.513 1.00 0.00 H new ATOM 1001 N LYS A 70 -7.646 -4.224 -7.702 1.00 0.00 N ATOM 1002 CA LYS A 70 -8.420 -4.740 -8.826 1.00 0.00 C ATOM 1003 C LYS A 70 -7.978 -6.156 -9.187 1.00 0.00 C ATOM 1004 O LYS A 70 -7.707 -6.456 -10.350 1.00 0.00 O ATOM 1005 CB LYS A 70 -8.270 -3.819 -10.040 1.00 0.00 C ATOM 1006 CG LYS A 70 -6.858 -3.778 -10.603 1.00 0.00 C ATOM 1007 CD LYS A 70 -6.410 -2.353 -10.891 1.00 0.00 C ATOM 1008 CE LYS A 70 -5.496 -1.822 -9.796 1.00 0.00 C ATOM 1009 NZ LYS A 70 -4.284 -1.163 -10.356 1.00 0.00 N ATOM 0 H LYS A 70 -6.782 -3.751 -7.967 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.469 -4.772 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.954 -4.148 -10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.569 -2.809 -9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.170 -4.240 -9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.814 -4.366 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.889 -2.321 -11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.284 -1.707 -10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.044 -1.110 -9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.195 -2.643 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.687 -0.815 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.747 -1.849 -10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.570 -0.364 -10.957 1.00 0.00 H new ATOM 1023 N GLN A 71 -7.909 -7.021 -8.182 1.00 0.00 N ATOM 1024 CA GLN A 71 -7.500 -8.405 -8.392 1.00 0.00 C ATOM 1025 C GLN A 71 -8.445 -9.111 -9.359 1.00 0.00 C ATOM 1026 O GLN A 71 -9.414 -9.746 -8.943 1.00 0.00 O ATOM 1027 CB GLN A 71 -7.465 -9.154 -7.059 1.00 0.00 C ATOM 1028 CG GLN A 71 -8.775 -9.087 -6.290 1.00 0.00 C ATOM 1029 CD GLN A 71 -8.569 -8.855 -4.806 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -8.135 -7.782 -4.387 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -8.882 -9.863 -4.000 1.00 0.00 N ATOM 0 H GLN A 71 -8.131 -6.789 -7.214 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.501 -8.401 -8.827 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.215 -10.199 -7.245 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.668 -8.741 -6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.390 -8.285 -6.697 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.325 -10.016 -6.436 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.239 -10.736 -4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.766 -9.765 -2.991 1.00 0.00 H new