USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 362 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 36 CYS SG : rot -104:sc= -0.994! USER MOD Set 1.2: A 45 SER OG : rot 130:sc= -0.741! USER MOD Set 2.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 15 ASN : amide:sc= -0.311 K(o=-0.31,f=-2.6!) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -57:sc= 1.16 USER MOD Single : A 7 THR OG1 : rot 63:sc= 0.244 USER MOD Single : A 8 SER OG : rot -31:sc= -0.908 USER MOD Single : A 10 THR OG1 : rot -97:sc= 0.234 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -80:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 157:sc= -1.84! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.657 K(o=-0.66,f=-1.4) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.305 K(o=-0.3,f=-2.9!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 46 GLN : amide:sc= -0.348 K(o=-0.35,f=-3.2!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.231 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.944 K(o=-0.94,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.296 -5.326 -6.735 1.00 0.00 N ATOM 2 CA ASP A 1 8.597 -6.575 -6.484 1.00 0.00 C ATOM 3 C ASP A 1 7.701 -6.414 -5.255 1.00 0.00 C ATOM 4 O ASP A 1 8.154 -6.587 -4.125 1.00 0.00 O ATOM 5 CB ASP A 1 9.583 -7.711 -6.206 1.00 0.00 C ATOM 6 CG ASP A 1 9.237 -9.045 -6.870 1.00 0.00 C ATOM 7 OD1 ASP A 1 8.360 -9.025 -7.760 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.856 -10.055 -6.471 1.00 0.00 O ATOM 0 H1 ASP A 1 9.907 -5.432 -7.570 1.00 0.00 H new ATOM 0 H2 ASP A 1 8.604 -4.569 -6.906 1.00 0.00 H new ATOM 0 H3 ASP A 1 9.879 -5.082 -5.909 1.00 0.00 H new ATOM 0 HA ASP A 1 8.009 -6.817 -7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 1 10.573 -7.402 -6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.644 -7.864 -5.128 1.00 0.00 H new ATOM 13 N ILE A 2 6.444 -6.086 -5.517 1.00 0.00 N ATOM 14 CA ILE A 2 5.480 -5.900 -4.446 1.00 0.00 C ATOM 15 C ILE A 2 4.474 -7.053 -4.466 1.00 0.00 C ATOM 16 O ILE A 2 4.029 -7.511 -3.415 1.00 0.00 O ATOM 17 CB ILE A 2 4.833 -4.517 -4.541 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.497 -4.587 -5.283 1.00 0.00 C ATOM 19 CG2 ILE A 2 5.790 -3.507 -5.177 1.00 0.00 C ATOM 20 CD1 ILE A 2 2.852 -3.203 -5.384 1.00 0.00 C ATOM 0 H ILE A 2 6.071 -5.944 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 2 5.977 -5.927 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 2 4.622 -4.168 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.653 -4.993 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.824 -5.269 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.306 -2.532 -5.233 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.693 -3.430 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.054 -3.839 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.904 -3.281 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.675 -2.810 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.517 -2.530 -5.925 1.00 0.00 H new ATOM 32 N GLU A 3 4.145 -7.488 -5.674 1.00 0.00 N ATOM 33 CA GLU A 3 3.200 -8.578 -5.845 1.00 0.00 C ATOM 34 C GLU A 3 3.646 -9.799 -5.037 1.00 0.00 C ATOM 35 O GLU A 3 2.816 -10.587 -4.588 1.00 0.00 O ATOM 36 CB GLU A 3 3.031 -8.931 -7.324 1.00 0.00 C ATOM 37 CG GLU A 3 4.379 -9.271 -7.963 1.00 0.00 C ATOM 38 CD GLU A 3 4.189 -10.115 -9.226 1.00 0.00 C ATOM 39 OE1 GLU A 3 3.800 -11.292 -9.068 1.00 0.00 O ATOM 40 OE2 GLU A 3 4.436 -9.563 -10.320 1.00 0.00 O ATOM 0 H GLU A 3 4.516 -7.105 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 3 2.229 -8.253 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.353 -9.778 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.575 -8.093 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.910 -8.352 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.998 -9.813 -7.248 1.00 0.00 H new ATOM 47 N ASP A 4 4.956 -9.917 -4.878 1.00 0.00 N ATOM 48 CA ASP A 4 5.523 -11.028 -4.133 1.00 0.00 C ATOM 49 C ASP A 4 5.289 -10.806 -2.637 1.00 0.00 C ATOM 50 O ASP A 4 5.439 -11.728 -1.838 1.00 0.00 O ATOM 51 CB ASP A 4 7.031 -11.135 -4.365 1.00 0.00 C ATOM 52 CG ASP A 4 7.442 -11.479 -5.798 1.00 0.00 C ATOM 53 OD1 ASP A 4 6.857 -10.869 -6.719 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.332 -12.345 -5.941 1.00 0.00 O ATOM 0 H ASP A 4 5.641 -9.261 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 4 5.040 -11.944 -4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.494 -10.188 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.433 -11.895 -3.695 1.00 0.00 H new ATOM 59 N PHE A 5 4.926 -9.576 -2.304 1.00 0.00 N ATOM 60 CA PHE A 5 4.670 -9.220 -0.919 1.00 0.00 C ATOM 61 C PHE A 5 3.223 -8.761 -0.729 1.00 0.00 C ATOM 62 O PHE A 5 2.899 -8.115 0.266 1.00 0.00 O ATOM 63 CB PHE A 5 5.609 -8.063 -0.573 1.00 0.00 C ATOM 64 CG PHE A 5 6.987 -8.506 -0.077 1.00 0.00 C ATOM 65 CD1 PHE A 5 7.196 -8.718 1.250 1.00 0.00 C ATOM 66 CD2 PHE A 5 8.003 -8.688 -0.963 1.00 0.00 C ATOM 67 CE1 PHE A 5 8.474 -9.130 1.711 1.00 0.00 C ATOM 68 CE2 PHE A 5 9.282 -9.099 -0.502 1.00 0.00 C ATOM 69 CZ PHE A 5 9.490 -9.312 0.825 1.00 0.00 C ATOM 0 H PHE A 5 4.803 -8.813 -2.970 1.00 0.00 H new ATOM 0 HA PHE A 5 4.836 -10.085 -0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.736 -7.436 -1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.140 -7.445 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.389 -8.573 1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.837 -8.520 -2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.639 -9.299 2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.089 -9.242 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.462 -9.626 1.175 1.00 0.00 H new ATOM 79 N TYR A 6 2.392 -9.114 -1.698 1.00 0.00 N ATOM 80 CA TYR A 6 0.987 -8.747 -1.650 1.00 0.00 C ATOM 81 C TYR A 6 0.214 -9.659 -0.696 1.00 0.00 C ATOM 82 O TYR A 6 0.263 -10.882 -0.825 1.00 0.00 O ATOM 83 CB TYR A 6 0.451 -8.941 -3.070 1.00 0.00 C ATOM 84 CG TYR A 6 -0.977 -8.431 -3.272 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.446 -7.376 -2.516 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.796 -9.026 -4.209 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.790 -6.895 -2.706 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.141 -8.546 -4.399 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.571 -7.504 -3.638 1.00 0.00 C ATOM 90 OH TYR A 6 -4.841 -7.050 -3.817 1.00 0.00 O ATOM 0 H TYR A 6 2.665 -9.651 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 6 0.870 -7.723 -1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.111 -8.428 -3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.485 -10.002 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.805 -6.911 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.429 -9.852 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.169 -6.070 -2.122 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.793 -9.003 -5.129 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.328 -7.098 -2.968 1.00 0.00 H new ATOM 100 N THR A 7 -0.483 -9.031 0.239 1.00 0.00 N ATOM 101 CA THR A 7 -1.265 -9.771 1.214 1.00 0.00 C ATOM 102 C THR A 7 -2.760 -9.597 0.941 1.00 0.00 C ATOM 103 O THR A 7 -3.410 -8.745 1.544 1.00 0.00 O ATOM 104 CB THR A 7 -0.844 -9.306 2.609 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.252 -7.942 2.659 1.00 0.00 O ATOM 106 CG2 THR A 7 0.676 -9.247 2.773 1.00 0.00 C ATOM 0 H THR A 7 -0.522 -8.017 0.342 1.00 0.00 H new ATOM 0 HA THR A 7 -1.076 -10.842 1.142 1.00 0.00 H new ATOM 0 HB THR A 7 -1.264 -9.979 3.357 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.227 -7.889 2.576 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.920 -8.911 3.781 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.098 -10.238 2.608 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.093 -8.549 2.047 1.00 0.00 H new ATOM 114 N SER A 8 -3.263 -10.419 0.030 1.00 0.00 N ATOM 115 CA SER A 8 -4.669 -10.366 -0.330 1.00 0.00 C ATOM 116 C SER A 8 -5.525 -10.889 0.825 1.00 0.00 C ATOM 117 O SER A 8 -6.753 -10.853 0.758 1.00 0.00 O ATOM 118 CB SER A 8 -4.942 -11.174 -1.601 1.00 0.00 C ATOM 119 OG SER A 8 -6.281 -11.009 -2.061 1.00 0.00 O ATOM 0 H SER A 8 -2.721 -11.125 -0.469 1.00 0.00 H new ATOM 0 HA SER A 8 -4.933 -9.327 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.249 -10.864 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.753 -12.230 -1.407 1.00 0.00 H new ATOM 0 HG SER A 8 -6.874 -10.857 -1.295 1.00 0.00 H new ATOM 125 N GLU A 9 -4.844 -11.362 1.858 1.00 0.00 N ATOM 126 CA GLU A 9 -5.526 -11.891 3.026 1.00 0.00 C ATOM 127 C GLU A 9 -6.103 -10.750 3.866 1.00 0.00 C ATOM 128 O GLU A 9 -7.279 -10.774 4.228 1.00 0.00 O ATOM 129 CB GLU A 9 -4.588 -12.766 3.860 1.00 0.00 C ATOM 130 CG GLU A 9 -5.208 -14.140 4.122 1.00 0.00 C ATOM 131 CD GLU A 9 -5.675 -14.263 5.574 1.00 0.00 C ATOM 132 OE1 GLU A 9 -4.838 -14.672 6.407 1.00 0.00 O ATOM 133 OE2 GLU A 9 -6.860 -13.945 5.818 1.00 0.00 O ATOM 0 H GLU A 9 -3.826 -11.390 1.910 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.350 -12.519 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.638 -12.885 3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.373 -12.273 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.052 -14.296 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.478 -14.920 3.904 1.00 0.00 H new ATOM 140 N THR A 10 -5.250 -9.778 4.152 1.00 0.00 N ATOM 141 CA THR A 10 -5.660 -8.630 4.942 1.00 0.00 C ATOM 142 C THR A 10 -6.051 -7.466 4.029 1.00 0.00 C ATOM 143 O THR A 10 -6.840 -6.606 4.417 1.00 0.00 O ATOM 144 CB THR A 10 -4.523 -8.290 5.907 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.766 -6.932 6.265 1.00 0.00 O ATOM 146 CG2 THR A 10 -3.158 -8.254 5.215 1.00 0.00 C ATOM 0 H THR A 10 -4.276 -9.762 3.850 1.00 0.00 H new ATOM 0 HA THR A 10 -6.550 -8.853 5.531 1.00 0.00 H new ATOM 0 HB THR A 10 -4.501 -9.022 6.714 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.217 -6.343 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.387 -8.008 5.945 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.946 -9.230 4.777 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.168 -7.499 4.429 1.00 0.00 H new ATOM 154 N CYS A 11 -5.480 -7.477 2.833 1.00 0.00 N ATOM 155 CA CYS A 11 -5.759 -6.433 1.862 1.00 0.00 C ATOM 156 C CYS A 11 -7.242 -6.505 1.491 1.00 0.00 C ATOM 157 O CYS A 11 -7.779 -7.590 1.274 1.00 0.00 O ATOM 158 CB CYS A 11 -4.857 -6.549 0.632 1.00 0.00 C ATOM 159 SG CYS A 11 -4.875 -5.090 -0.473 1.00 0.00 S ATOM 0 H CYS A 11 -4.826 -8.192 2.515 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.542 -5.459 2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.834 -6.723 0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.159 -7.425 0.059 1.00 0.00 H new ATOM 164 N PRO A 12 -7.878 -5.305 1.429 1.00 0.00 N ATOM 165 CA PRO A 12 -9.288 -5.222 1.088 1.00 0.00 C ATOM 166 C PRO A 12 -9.505 -5.454 -0.409 1.00 0.00 C ATOM 167 O PRO A 12 -10.643 -5.539 -0.869 1.00 0.00 O ATOM 168 CB PRO A 12 -9.723 -3.838 1.543 1.00 0.00 C ATOM 169 CG PRO A 12 -8.445 -3.030 1.696 1.00 0.00 C ATOM 170 CD PRO A 12 -7.274 -3.999 1.680 1.00 0.00 C ATOM 0 HA PRO A 12 -9.884 -5.993 1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.391 -3.379 0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.268 -3.890 2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.352 -2.306 0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.460 -2.465 2.628 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.555 -3.739 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.737 -3.987 2.628 1.00 0.00 H new ATOM 178 N TYR A 13 -8.396 -5.550 -1.127 1.00 0.00 N ATOM 179 CA TYR A 13 -8.450 -5.770 -2.562 1.00 0.00 C ATOM 180 C TYR A 13 -7.770 -7.087 -2.941 1.00 0.00 C ATOM 181 O TYR A 13 -6.799 -7.494 -2.305 1.00 0.00 O ATOM 182 CB TYR A 13 -7.679 -4.611 -3.197 1.00 0.00 C ATOM 183 CG TYR A 13 -8.394 -3.261 -3.100 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.495 -3.006 -3.892 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.938 -2.300 -2.221 1.00 0.00 C ATOM 186 CE1 TYR A 13 -10.168 -1.736 -3.802 1.00 0.00 C ATOM 187 CE2 TYR A 13 -8.611 -1.030 -2.131 1.00 0.00 C ATOM 188 CZ TYR A 13 -9.692 -0.811 -2.925 1.00 0.00 C ATOM 189 OH TYR A 13 -10.328 0.389 -2.840 1.00 0.00 O ATOM 0 H TYR A 13 -7.454 -5.479 -0.742 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.484 -5.820 -2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.704 -4.530 -2.716 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.498 -4.840 -4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.852 -3.759 -4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.077 -2.500 -1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.030 -1.523 -4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -8.264 -0.269 -1.448 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.880 0.950 -2.173 1.00 0.00 H new ATOM 199 N LYS A 14 -8.306 -7.717 -3.976 1.00 0.00 N ATOM 200 CA LYS A 14 -7.763 -8.980 -4.447 1.00 0.00 C ATOM 201 C LYS A 14 -7.696 -8.963 -5.975 1.00 0.00 C ATOM 202 O LYS A 14 -7.902 -9.990 -6.621 1.00 0.00 O ATOM 203 CB LYS A 14 -8.564 -10.153 -3.879 1.00 0.00 C ATOM 204 CG LYS A 14 -10.060 -9.833 -3.851 1.00 0.00 C ATOM 205 CD LYS A 14 -10.637 -9.784 -5.267 1.00 0.00 C ATOM 206 CE LYS A 14 -10.832 -8.339 -5.730 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.984 -8.242 -6.655 1.00 0.00 N ATOM 0 H LYS A 14 -9.111 -7.376 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.744 -9.115 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.390 -11.043 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.218 -10.380 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.586 -10.588 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.222 -8.876 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.968 -10.303 -5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.591 -10.310 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.995 -7.693 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.929 -7.985 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.102 -7.255 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.813 -8.843 -7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.847 -8.560 -6.169 1.00 0.00 H new ATOM 221 N ASN A 15 -7.408 -7.785 -6.511 1.00 0.00 N ATOM 222 CA ASN A 15 -7.312 -7.622 -7.951 1.00 0.00 C ATOM 223 C ASN A 15 -5.964 -6.987 -8.299 1.00 0.00 C ATOM 224 O ASN A 15 -5.915 -5.878 -8.829 1.00 0.00 O ATOM 225 CB ASN A 15 -8.417 -6.702 -8.476 1.00 0.00 C ATOM 226 CG ASN A 15 -9.634 -7.511 -8.928 1.00 0.00 C ATOM 227 OD1 ASN A 15 -9.644 -8.731 -8.909 1.00 0.00 O ATOM 228 ND2 ASN A 15 -10.658 -6.766 -9.336 1.00 0.00 N ATOM 0 H ASN A 15 -7.238 -6.935 -5.973 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.413 -8.606 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.712 -6.000 -7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.038 -6.111 -9.310 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.517 -7.212 -9.658 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.584 -5.749 -9.327 1.00 0.00 H new ATOM 235 N ASP A 16 -4.904 -7.717 -7.987 1.00 0.00 N ATOM 236 CA ASP A 16 -3.559 -7.239 -8.260 1.00 0.00 C ATOM 237 C ASP A 16 -3.085 -6.370 -7.093 1.00 0.00 C ATOM 238 O ASP A 16 -3.880 -5.656 -6.484 1.00 0.00 O ATOM 239 CB ASP A 16 -3.525 -6.387 -9.530 1.00 0.00 C ATOM 240 CG ASP A 16 -2.234 -6.492 -10.344 1.00 0.00 C ATOM 241 OD1 ASP A 16 -1.784 -7.640 -10.549 1.00 0.00 O ATOM 242 OD2 ASP A 16 -1.727 -5.422 -10.744 1.00 0.00 O ATOM 0 H ASP A 16 -4.949 -8.636 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.912 -8.106 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.362 -6.676 -10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.679 -5.344 -9.254 1.00 0.00 H new ATOM 247 N SER A 17 -1.792 -6.458 -6.818 1.00 0.00 N ATOM 248 CA SER A 17 -1.203 -5.689 -5.736 1.00 0.00 C ATOM 249 C SER A 17 -1.108 -4.214 -6.134 1.00 0.00 C ATOM 250 O SER A 17 -1.211 -3.331 -5.284 1.00 0.00 O ATOM 251 CB SER A 17 0.180 -6.228 -5.366 1.00 0.00 C ATOM 252 OG SER A 17 1.093 -6.152 -6.457 1.00 0.00 O ATOM 0 H SER A 17 -1.136 -7.051 -7.326 1.00 0.00 H new ATOM 0 HA SER A 17 -1.846 -5.783 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.576 -5.662 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.090 -7.264 -5.041 1.00 0.00 H new ATOM 0 HG SER A 17 0.937 -6.903 -7.067 1.00 0.00 H new ATOM 258 N GLN A 18 -0.914 -3.994 -7.426 1.00 0.00 N ATOM 259 CA GLN A 18 -0.804 -2.642 -7.946 1.00 0.00 C ATOM 260 C GLN A 18 -2.117 -1.885 -7.737 1.00 0.00 C ATOM 261 O GLN A 18 -2.149 -0.658 -7.816 1.00 0.00 O ATOM 262 CB GLN A 18 -0.407 -2.654 -9.424 1.00 0.00 C ATOM 263 CG GLN A 18 0.924 -3.380 -9.628 1.00 0.00 C ATOM 264 CD GLN A 18 1.351 -3.340 -11.097 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.643 -3.779 -11.988 1.00 0.00 O ATOM 266 NE2 GLN A 18 2.545 -2.790 -11.299 1.00 0.00 N ATOM 0 H GLN A 18 -0.830 -4.729 -8.128 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.018 -2.125 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.186 -3.143 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.327 -1.631 -9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.693 -2.918 -9.009 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.831 -4.416 -9.301 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.087 -2.442 -10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.919 -2.716 -12.245 1.00 0.00 H new ATOM 275 N LEU A 19 -3.168 -2.648 -7.476 1.00 0.00 N ATOM 276 CA LEU A 19 -4.480 -2.064 -7.255 1.00 0.00 C ATOM 277 C LEU A 19 -4.512 -1.398 -5.878 1.00 0.00 C ATOM 278 O LEU A 19 -4.746 -0.195 -5.772 1.00 0.00 O ATOM 279 CB LEU A 19 -5.574 -3.115 -7.456 1.00 0.00 C ATOM 280 CG LEU A 19 -7.004 -2.660 -7.154 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.531 -1.740 -8.258 1.00 0.00 C ATOM 282 CD2 LEU A 19 -7.923 -3.861 -6.921 1.00 0.00 C ATOM 0 H LEU A 19 -3.138 -3.666 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.679 -1.285 -7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.534 -3.460 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.346 -3.974 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.991 -2.080 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.549 -1.431 -8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.893 -0.860 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.527 -2.273 -9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.933 -3.510 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.936 -4.487 -7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.555 -4.442 -6.075 1.00 0.00 H new ATOM 294 N ALA A 20 -4.273 -2.209 -4.858 1.00 0.00 N ATOM 295 CA ALA A 20 -4.272 -1.713 -3.492 1.00 0.00 C ATOM 296 C ALA A 20 -3.092 -0.758 -3.302 1.00 0.00 C ATOM 297 O ALA A 20 -3.139 0.132 -2.454 1.00 0.00 O ATOM 298 CB ALA A 20 -4.229 -2.894 -2.520 1.00 0.00 C ATOM 0 H ALA A 20 -4.079 -3.206 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.185 -1.154 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.228 -2.522 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.103 -3.526 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.325 -3.477 -2.695 1.00 0.00 H new ATOM 304 N TRP A 21 -2.061 -0.975 -4.106 1.00 0.00 N ATOM 305 CA TRP A 21 -0.871 -0.145 -4.037 1.00 0.00 C ATOM 306 C TRP A 21 -1.170 1.172 -4.757 1.00 0.00 C ATOM 307 O TRP A 21 -0.794 2.242 -4.282 1.00 0.00 O ATOM 308 CB TRP A 21 0.343 -0.878 -4.612 1.00 0.00 C ATOM 309 CG TRP A 21 1.486 0.047 -5.034 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.621 0.719 -6.186 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.657 0.378 -4.258 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.788 1.455 -6.209 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.438 1.241 -4.999 1.00 0.00 C ATOM 314 CE3 TRP A 21 3.043 -0.039 -2.972 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.654 1.761 -4.539 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.261 0.490 -2.527 1.00 0.00 C ATOM 317 CH2 TRP A 21 5.059 1.360 -3.261 1.00 0.00 C ATOM 0 H TRP A 21 -2.026 -1.714 -4.808 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.614 0.075 -3.001 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.715 -1.582 -3.868 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.026 -1.464 -5.475 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.906 0.688 -6.995 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.114 2.047 -6.973 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.448 -0.714 -2.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 5.248 2.435 -5.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.604 0.202 -1.544 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.987 1.725 -2.847 1.00 0.00 H new ATOM 328 N ASP A 22 -1.844 1.049 -5.891 1.00 0.00 N ATOM 329 CA ASP A 22 -2.198 2.216 -6.681 1.00 0.00 C ATOM 330 C ASP A 22 -3.164 3.093 -5.883 1.00 0.00 C ATOM 331 O ASP A 22 -3.410 4.242 -6.246 1.00 0.00 O ATOM 332 CB ASP A 22 -2.892 1.810 -7.982 1.00 0.00 C ATOM 333 CG ASP A 22 -3.602 2.948 -8.719 1.00 0.00 C ATOM 334 OD1 ASP A 22 -4.788 3.179 -8.397 1.00 0.00 O ATOM 335 OD2 ASP A 22 -2.943 3.561 -9.586 1.00 0.00 O ATOM 0 H ASP A 22 -2.154 0.159 -6.282 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.280 2.756 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.151 1.371 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.621 1.031 -7.759 1.00 0.00 H new ATOM 340 N THR A 23 -3.687 2.517 -4.810 1.00 0.00 N ATOM 341 CA THR A 23 -4.622 3.232 -3.957 1.00 0.00 C ATOM 342 C THR A 23 -3.901 3.795 -2.731 1.00 0.00 C ATOM 343 O THR A 23 -3.890 5.006 -2.515 1.00 0.00 O ATOM 344 CB THR A 23 -5.765 2.278 -3.605 1.00 0.00 C ATOM 345 OG1 THR A 23 -6.815 2.652 -4.492 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.341 2.544 -2.213 1.00 0.00 C ATOM 0 H THR A 23 -3.481 1.564 -4.512 1.00 0.00 H new ATOM 0 HA THR A 23 -5.046 4.095 -4.470 1.00 0.00 H new ATOM 0 HB THR A 23 -5.409 1.249 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.596 2.082 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.149 1.840 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.558 2.420 -1.465 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.728 3.562 -2.168 1.00 0.00 H new ATOM 354 N CYS A 24 -3.316 2.890 -1.960 1.00 0.00 N ATOM 355 CA CYS A 24 -2.594 3.282 -0.761 1.00 0.00 C ATOM 356 C CYS A 24 -1.360 4.082 -1.183 1.00 0.00 C ATOM 357 O CYS A 24 -1.154 5.202 -0.720 1.00 0.00 O ATOM 358 CB CYS A 24 -2.224 2.071 0.097 1.00 0.00 C ATOM 359 SG CYS A 24 -0.467 1.568 -0.002 1.00 0.00 S ATOM 0 H CYS A 24 -3.327 1.886 -2.142 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.233 3.906 -0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.466 2.292 1.137 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.846 1.228 -0.202 1.00 0.00 H new ATOM 364 N SER A 25 -0.571 3.474 -2.057 1.00 0.00 N ATOM 365 CA SER A 25 0.637 4.115 -2.547 1.00 0.00 C ATOM 366 C SER A 25 0.345 4.856 -3.853 1.00 0.00 C ATOM 367 O SER A 25 1.008 4.626 -4.863 1.00 0.00 O ATOM 368 CB SER A 25 1.757 3.094 -2.755 1.00 0.00 C ATOM 369 OG SER A 25 1.306 1.758 -2.552 1.00 0.00 O ATOM 0 H SER A 25 -0.745 2.544 -2.438 1.00 0.00 H new ATOM 0 HA SER A 25 0.971 4.832 -1.797 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.155 3.193 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.575 3.309 -2.068 1.00 0.00 H new ATOM 0 HG SER A 25 1.898 1.137 -3.026 1.00 0.00 H new ATOM 375 N GLY A 26 -0.650 5.729 -3.791 1.00 0.00 N ATOM 376 CA GLY A 26 -1.039 6.504 -4.957 1.00 0.00 C ATOM 377 C GLY A 26 -1.245 7.976 -4.593 1.00 0.00 C ATOM 378 O GLY A 26 -0.667 8.466 -3.624 1.00 0.00 O ATOM 0 H GLY A 26 -1.198 5.917 -2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.272 6.420 -5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.959 6.098 -5.378 1.00 0.00 H new ATOM 382 N GLY A 27 -2.071 8.639 -5.388 1.00 0.00 N ATOM 383 CA GLY A 27 -2.361 10.045 -5.162 1.00 0.00 C ATOM 384 C GLY A 27 -3.636 10.215 -4.334 1.00 0.00 C ATOM 385 O GLY A 27 -3.835 11.250 -3.699 1.00 0.00 O ATOM 0 H GLY A 27 -2.549 8.229 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.523 10.515 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.473 10.555 -6.119 1.00 0.00 H new ATOM 389 N THR A 28 -4.468 9.184 -4.368 1.00 0.00 N ATOM 390 CA THR A 28 -5.718 9.207 -3.628 1.00 0.00 C ATOM 391 C THR A 28 -5.925 7.883 -2.890 1.00 0.00 C ATOM 392 O THR A 28 -4.960 7.203 -2.544 1.00 0.00 O ATOM 393 CB THR A 28 -6.843 9.536 -4.612 1.00 0.00 C ATOM 394 OG1 THR A 28 -6.851 8.433 -5.513 1.00 0.00 O ATOM 395 CG2 THR A 28 -6.512 10.739 -5.498 1.00 0.00 C ATOM 0 H THR A 28 -4.301 8.328 -4.896 1.00 0.00 H new ATOM 0 HA THR A 28 -5.706 9.976 -2.855 1.00 0.00 H new ATOM 0 HB THR A 28 -7.762 9.733 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.553 8.564 -6.184 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.343 10.930 -6.178 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.345 11.616 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.612 10.529 -6.075 1.00 0.00 H new ATOM 403 N GLY A 29 -7.191 7.556 -2.671 1.00 0.00 N ATOM 404 CA GLY A 29 -7.537 6.325 -1.980 1.00 0.00 C ATOM 405 C GLY A 29 -7.274 6.447 -0.477 1.00 0.00 C ATOM 406 O GLY A 29 -7.731 7.394 0.161 1.00 0.00 O ATOM 0 H GLY A 29 -7.989 8.122 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.588 6.091 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.956 5.499 -2.389 1.00 0.00 H new ATOM 410 N ASN A 30 -6.538 5.476 0.043 1.00 0.00 N ATOM 411 CA ASN A 30 -6.209 5.463 1.458 1.00 0.00 C ATOM 412 C ASN A 30 -4.704 5.246 1.626 1.00 0.00 C ATOM 413 O ASN A 30 -4.262 4.138 1.924 1.00 0.00 O ATOM 414 CB ASN A 30 -6.934 4.326 2.182 1.00 0.00 C ATOM 415 CG ASN A 30 -7.161 3.137 1.245 1.00 0.00 C ATOM 416 OD1 ASN A 30 -6.233 2.508 0.763 1.00 0.00 O ATOM 417 ND2 ASN A 30 -8.442 2.865 1.017 1.00 0.00 N ATOM 0 H ASN A 30 -6.160 4.693 -0.490 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.518 6.417 1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.349 4.007 3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.892 4.683 2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.698 2.089 0.406 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.169 3.432 1.453 1.00 0.00 H new ATOM 424 N CYS A 31 -3.958 6.323 1.426 1.00 0.00 N ATOM 425 CA CYS A 31 -2.512 6.265 1.552 1.00 0.00 C ATOM 426 C CYS A 31 -2.148 6.461 3.025 1.00 0.00 C ATOM 427 O CYS A 31 -2.864 7.141 3.759 1.00 0.00 O ATOM 428 CB CYS A 31 -1.824 7.294 0.652 1.00 0.00 C ATOM 429 SG CYS A 31 -2.072 9.037 1.152 1.00 0.00 S ATOM 0 H CYS A 31 -4.328 7.240 1.178 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.155 5.291 1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.755 7.084 0.635 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.190 7.167 -0.367 1.00 0.00 H new ATOM 434 N GLY A 32 -1.037 5.853 3.413 1.00 0.00 N ATOM 435 CA GLY A 32 -0.570 5.952 4.786 1.00 0.00 C ATOM 436 C GLY A 32 0.457 4.861 5.096 1.00 0.00 C ATOM 437 O GLY A 32 0.782 4.047 4.233 1.00 0.00 O ATOM 0 H GLY A 32 -0.446 5.290 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.125 6.933 4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.415 5.865 5.469 1.00 0.00 H new ATOM 441 N THR A 33 0.938 4.880 6.330 1.00 0.00 N ATOM 442 CA THR A 33 1.921 3.903 6.765 1.00 0.00 C ATOM 443 C THR A 33 1.229 2.622 7.235 1.00 0.00 C ATOM 444 O THR A 33 1.890 1.636 7.554 1.00 0.00 O ATOM 445 CB THR A 33 2.791 4.554 7.842 1.00 0.00 C ATOM 446 OG1 THR A 33 3.403 5.655 7.176 1.00 0.00 O ATOM 447 CG2 THR A 33 3.968 3.669 8.259 1.00 0.00 C ATOM 0 H THR A 33 0.665 5.557 7.043 1.00 0.00 H new ATOM 0 HA THR A 33 2.569 3.601 5.942 1.00 0.00 H new ATOM 0 HB THR A 33 2.179 4.779 8.716 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.984 6.135 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.553 4.178 9.025 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.592 2.726 8.657 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.599 3.471 7.393 1.00 0.00 H new ATOM 455 N VAL A 34 -0.095 2.679 7.262 1.00 0.00 N ATOM 456 CA VAL A 34 -0.885 1.536 7.688 1.00 0.00 C ATOM 457 C VAL A 34 -0.886 0.482 6.580 1.00 0.00 C ATOM 458 O VAL A 34 -0.777 -0.712 6.854 1.00 0.00 O ATOM 459 CB VAL A 34 -2.291 1.990 8.083 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.159 0.797 8.488 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.237 3.033 9.201 1.00 0.00 C ATOM 0 H VAL A 34 -0.640 3.499 6.996 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.446 1.076 8.574 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.749 2.457 7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.153 1.148 8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.238 0.104 7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.705 0.288 9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.250 3.339 9.463 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.750 2.603 10.076 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.672 3.901 8.862 1.00 0.00 H new ATOM 471 N CYS A 35 -1.011 0.961 5.351 1.00 0.00 N ATOM 472 CA CYS A 35 -1.028 0.074 4.200 1.00 0.00 C ATOM 473 C CYS A 35 0.323 -0.640 4.124 1.00 0.00 C ATOM 474 O CYS A 35 0.465 -1.633 3.412 1.00 0.00 O ATOM 475 CB CYS A 35 -1.347 0.830 2.908 1.00 0.00 C ATOM 476 SG CYS A 35 -0.040 0.751 1.630 1.00 0.00 S ATOM 0 H CYS A 35 -1.101 1.952 5.127 1.00 0.00 H new ATOM 0 HA CYS A 35 -1.822 -0.664 4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.270 0.431 2.488 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.534 1.876 3.152 1.00 0.00 H new ATOM 481 N CYS A 36 1.282 -0.106 4.867 1.00 0.00 N ATOM 482 CA CYS A 36 2.616 -0.680 4.893 1.00 0.00 C ATOM 483 C CYS A 36 2.494 -2.165 5.243 1.00 0.00 C ATOM 484 O CYS A 36 3.017 -3.020 4.531 1.00 0.00 O ATOM 485 CB CYS A 36 3.533 0.063 5.867 1.00 0.00 C ATOM 486 SG CYS A 36 3.552 -0.611 7.568 1.00 0.00 S ATOM 0 H CYS A 36 1.161 0.718 5.455 1.00 0.00 H new ATOM 0 HA CYS A 36 3.078 -0.576 3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.549 0.045 5.473 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.225 1.108 5.909 1.00 0.00 H new ATOM 0 HG CYS A 36 2.847 0.155 8.346 1.00 0.00 H new ATOM 491 N GLY A 37 1.800 -2.425 6.342 1.00 0.00 N ATOM 492 CA GLY A 37 1.603 -3.791 6.796 1.00 0.00 C ATOM 493 C GLY A 37 0.125 -4.182 6.732 1.00 0.00 C ATOM 494 O GLY A 37 -0.389 -4.833 7.641 1.00 0.00 O ATOM 0 H GLY A 37 1.368 -1.713 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.190 -4.471 6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.966 -3.894 7.818 1.00 0.00 H new ATOM 498 N GLN A 38 -0.518 -3.768 5.650 1.00 0.00 N ATOM 499 CA GLN A 38 -1.926 -4.067 5.456 1.00 0.00 C ATOM 500 C GLN A 38 -2.126 -4.874 4.171 1.00 0.00 C ATOM 501 O GLN A 38 -2.796 -5.905 4.180 1.00 0.00 O ATOM 502 CB GLN A 38 -2.760 -2.784 5.432 1.00 0.00 C ATOM 503 CG GLN A 38 -4.113 -2.998 6.115 1.00 0.00 C ATOM 504 CD GLN A 38 -3.958 -3.044 7.637 1.00 0.00 C ATOM 505 OE1 GLN A 38 -2.879 -3.246 8.171 1.00 0.00 O ATOM 506 NE2 GLN A 38 -5.092 -2.846 8.303 1.00 0.00 N ATOM 0 H GLN A 38 -0.089 -3.228 4.899 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.268 -4.670 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.217 -1.983 5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.915 -2.466 4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.795 -2.193 5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.559 -3.928 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.961 -2.682 7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.093 -2.858 9.323 1.00 0.00 H new ATOM 515 N CYS A 39 -1.532 -4.374 3.098 1.00 0.00 N ATOM 516 CA CYS A 39 -1.636 -5.036 1.809 1.00 0.00 C ATOM 517 C CYS A 39 -0.253 -5.573 1.431 1.00 0.00 C ATOM 518 O CYS A 39 -0.141 -6.504 0.636 1.00 0.00 O ATOM 519 CB CYS A 39 -2.197 -4.101 0.736 1.00 0.00 C ATOM 520 SG CYS A 39 -3.979 -3.719 0.907 1.00 0.00 S ATOM 0 H CYS A 39 -0.977 -3.518 3.095 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.340 -5.865 1.880 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.636 -3.167 0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.028 -4.551 -0.242 1.00 0.00 H new ATOM 525 N PHE A 40 0.764 -4.961 2.019 1.00 0.00 N ATOM 526 CA PHE A 40 2.135 -5.365 1.754 1.00 0.00 C ATOM 527 C PHE A 40 2.941 -5.452 3.051 1.00 0.00 C ATOM 528 O PHE A 40 2.394 -5.281 4.139 1.00 0.00 O ATOM 529 CB PHE A 40 2.752 -4.293 0.854 1.00 0.00 C ATOM 530 CG PHE A 40 1.753 -3.625 -0.093 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.076 -2.515 0.305 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.541 -4.143 -1.333 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.149 -1.895 -0.575 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.614 -3.523 -2.212 1.00 0.00 C ATOM 535 CZ PHE A 40 -0.062 -2.412 -1.815 1.00 0.00 C ATOM 0 H PHE A 40 0.667 -4.189 2.678 1.00 0.00 H new ATOM 0 HA PHE A 40 2.149 -6.348 1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.211 -3.528 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.550 -4.744 0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.243 -2.105 1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.078 -5.025 -1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.388 -1.013 -0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.446 -3.934 -3.196 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.766 -1.940 -2.484 1.00 0.00 H new ATOM 545 N SER A 41 4.230 -5.716 2.893 1.00 0.00 N ATOM 546 CA SER A 41 5.117 -5.827 4.038 1.00 0.00 C ATOM 547 C SER A 41 6.540 -5.430 3.638 1.00 0.00 C ATOM 548 O SER A 41 6.897 -5.489 2.463 1.00 0.00 O ATOM 549 CB SER A 41 5.103 -7.246 4.610 1.00 0.00 C ATOM 550 OG SER A 41 4.779 -8.218 3.620 1.00 0.00 O ATOM 0 H SER A 41 4.681 -5.856 1.989 1.00 0.00 H new ATOM 0 HA SER A 41 4.761 -5.148 4.813 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.080 -7.475 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.379 -7.302 5.423 1.00 0.00 H new ATOM 0 HG SER A 41 4.782 -9.111 4.025 1.00 0.00 H new ATOM 556 N PHE A 42 7.313 -5.035 4.639 1.00 0.00 N ATOM 557 CA PHE A 42 8.688 -4.628 4.406 1.00 0.00 C ATOM 558 C PHE A 42 9.468 -5.725 3.677 1.00 0.00 C ATOM 559 O PHE A 42 9.119 -6.901 3.762 1.00 0.00 O ATOM 560 CB PHE A 42 9.324 -4.393 5.778 1.00 0.00 C ATOM 561 CG PHE A 42 10.001 -3.029 5.924 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.247 -1.900 6.008 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.358 -2.946 5.970 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.877 -0.635 6.143 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.987 -1.680 6.105 1.00 0.00 C ATOM 566 CZ PHE A 42 11.233 -0.551 6.189 1.00 0.00 C ATOM 0 H PHE A 42 7.013 -4.988 5.613 1.00 0.00 H new ATOM 0 HA PHE A 42 8.711 -3.730 3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.555 -4.490 6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.060 -5.175 5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.170 -1.966 5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.957 -3.842 5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.278 0.261 6.209 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.064 -1.614 6.141 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.711 0.412 6.292 1.00 0.00 H new ATOM 576 N PRO A 43 10.538 -5.288 2.959 1.00 0.00 N ATOM 577 CA PRO A 43 10.882 -3.878 2.911 1.00 0.00 C ATOM 578 C PRO A 43 9.917 -3.108 2.007 1.00 0.00 C ATOM 579 O PRO A 43 10.134 -1.932 1.720 1.00 0.00 O ATOM 580 CB PRO A 43 12.318 -3.840 2.415 1.00 0.00 C ATOM 581 CG PRO A 43 12.570 -5.190 1.764 1.00 0.00 C ATOM 582 CD PRO A 43 11.444 -6.124 2.176 1.00 0.00 C ATOM 0 HA PRO A 43 10.797 -3.391 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.463 -3.029 1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.011 -3.668 3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.605 -5.090 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.533 -5.592 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.941 -6.546 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.819 -6.961 2.765 1.00 0.00 H new ATOM 590 N VAL A 44 8.871 -3.803 1.584 1.00 0.00 N ATOM 591 CA VAL A 44 7.872 -3.200 0.719 1.00 0.00 C ATOM 592 C VAL A 44 7.054 -2.185 1.521 1.00 0.00 C ATOM 593 O VAL A 44 6.698 -1.125 1.009 1.00 0.00 O ATOM 594 CB VAL A 44 7.010 -4.288 0.076 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.369 -3.786 -1.219 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.826 -5.558 -0.172 1.00 0.00 C ATOM 0 H VAL A 44 8.694 -4.778 1.825 1.00 0.00 H new ATOM 0 HA VAL A 44 8.351 -2.659 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 44 6.208 -4.535 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.762 -4.579 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.739 -2.924 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.149 -3.497 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.190 -6.316 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.658 -5.332 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.213 -5.933 0.776 1.00 0.00 H new ATOM 606 N SER A 45 6.780 -2.546 2.766 1.00 0.00 N ATOM 607 CA SER A 45 6.011 -1.681 3.644 1.00 0.00 C ATOM 608 C SER A 45 6.611 -0.274 3.649 1.00 0.00 C ATOM 609 O SER A 45 5.933 0.693 3.992 1.00 0.00 O ATOM 610 CB SER A 45 5.963 -2.242 5.066 1.00 0.00 C ATOM 611 OG SER A 45 6.157 -1.227 6.048 1.00 0.00 O ATOM 0 H SER A 45 7.077 -3.426 3.188 1.00 0.00 H new ATOM 0 HA SER A 45 4.989 -1.632 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.001 -2.728 5.232 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.730 -3.008 5.180 1.00 0.00 H new ATOM 0 HG SER A 45 5.446 -1.282 6.720 1.00 0.00 H new ATOM 617 N GLN A 46 7.877 -0.204 3.264 1.00 0.00 N ATOM 618 CA GLN A 46 8.576 1.069 3.220 1.00 0.00 C ATOM 619 C GLN A 46 8.224 1.824 1.936 1.00 0.00 C ATOM 620 O GLN A 46 8.223 3.054 1.915 1.00 0.00 O ATOM 621 CB GLN A 46 10.088 0.869 3.341 1.00 0.00 C ATOM 622 CG GLN A 46 10.751 2.082 3.997 1.00 0.00 C ATOM 623 CD GLN A 46 11.863 2.646 3.110 1.00 0.00 C ATOM 624 OE1 GLN A 46 12.074 2.218 1.987 1.00 0.00 O ATOM 625 NE2 GLN A 46 12.560 3.628 3.675 1.00 0.00 N ATOM 0 H GLN A 46 8.437 -1.008 2.980 1.00 0.00 H new ATOM 0 HA GLN A 46 8.253 1.668 4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.294 -0.025 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.517 0.706 2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.003 2.853 4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.163 1.797 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.331 3.938 4.619 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.324 4.071 3.164 1.00 0.00 H new ATOM 634 N SER A 47 7.934 1.056 0.897 1.00 0.00 N ATOM 635 CA SER A 47 7.581 1.636 -0.387 1.00 0.00 C ATOM 636 C SER A 47 6.149 2.173 -0.343 1.00 0.00 C ATOM 637 O SER A 47 5.849 3.203 -0.945 1.00 0.00 O ATOM 638 CB SER A 47 7.729 0.612 -1.514 1.00 0.00 C ATOM 639 OG SER A 47 8.136 1.219 -2.737 1.00 0.00 O ATOM 0 H SER A 47 7.936 0.036 0.918 1.00 0.00 H new ATOM 0 HA SER A 47 8.265 2.460 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.459 -0.143 -1.224 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.780 0.097 -1.663 1.00 0.00 H new ATOM 0 HG SER A 47 8.221 0.532 -3.431 1.00 0.00 H new ATOM 645 N CYS A 48 5.302 1.450 0.375 1.00 0.00 N ATOM 646 CA CYS A 48 3.908 1.840 0.505 1.00 0.00 C ATOM 647 C CYS A 48 3.859 3.277 1.029 1.00 0.00 C ATOM 648 O CYS A 48 3.333 4.167 0.362 1.00 0.00 O ATOM 649 CB CYS A 48 3.133 0.878 1.407 1.00 0.00 C ATOM 650 SG CYS A 48 1.649 1.597 2.202 1.00 0.00 S ATOM 0 H CYS A 48 5.554 0.596 0.873 1.00 0.00 H new ATOM 0 HA CYS A 48 3.422 1.792 -0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.829 0.014 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.803 0.512 2.185 1.00 0.00 H new ATOM 655 N ALA A 49 4.414 3.459 2.218 1.00 0.00 N ATOM 656 CA ALA A 49 4.440 4.773 2.839 1.00 0.00 C ATOM 657 C ALA A 49 5.324 5.706 2.010 1.00 0.00 C ATOM 658 O ALA A 49 5.308 6.920 2.207 1.00 0.00 O ATOM 659 CB ALA A 49 4.921 4.644 4.285 1.00 0.00 C ATOM 0 H ALA A 49 4.849 2.719 2.768 1.00 0.00 H new ATOM 0 HA ALA A 49 3.440 5.206 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.941 5.629 4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.242 3.995 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.923 4.216 4.298 1.00 0.00 H new ATOM 665 N GLY A 50 6.076 5.104 1.101 1.00 0.00 N ATOM 666 CA GLY A 50 6.966 5.866 0.241 1.00 0.00 C ATOM 667 C GLY A 50 6.211 6.440 -0.959 1.00 0.00 C ATOM 668 O GLY A 50 6.258 7.643 -1.209 1.00 0.00 O ATOM 0 H GLY A 50 6.088 4.097 0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.421 6.676 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.777 5.226 -0.107 1.00 0.00 H new ATOM 672 N MET A 51 5.532 5.551 -1.670 1.00 0.00 N ATOM 673 CA MET A 51 4.767 5.954 -2.838 1.00 0.00 C ATOM 674 C MET A 51 3.361 6.409 -2.443 1.00 0.00 C ATOM 675 O MET A 51 2.455 6.432 -3.275 1.00 0.00 O ATOM 676 CB MET A 51 4.669 4.780 -3.814 1.00 0.00 C ATOM 677 CG MET A 51 4.311 5.265 -5.221 1.00 0.00 C ATOM 678 SD MET A 51 5.690 6.147 -5.932 1.00 0.00 S ATOM 679 CE MET A 51 4.854 7.614 -6.510 1.00 0.00 C ATOM 0 H MET A 51 5.496 4.554 -1.460 1.00 0.00 H new ATOM 0 HA MET A 51 5.279 6.791 -3.313 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.618 4.244 -3.841 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.914 4.075 -3.466 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.048 4.416 -5.851 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.436 5.914 -5.179 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.574 8.280 -6.985 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.087 7.335 -7.232 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.389 8.124 -5.666 1.00 0.00 H new ATOM 689 N ALA A 52 3.223 6.761 -1.173 1.00 0.00 N ATOM 690 CA ALA A 52 1.942 7.215 -0.658 1.00 0.00 C ATOM 691 C ALA A 52 1.831 8.730 -0.841 1.00 0.00 C ATOM 692 O ALA A 52 1.337 9.431 0.041 1.00 0.00 O ATOM 693 CB ALA A 52 1.803 6.793 0.806 1.00 0.00 C ATOM 0 H ALA A 52 3.976 6.741 -0.486 1.00 0.00 H new ATOM 0 HA ALA A 52 1.122 6.756 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.842 7.133 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.859 5.707 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.608 7.238 1.391 1.00 0.00 H new ATOM 699 N ASP A 53 2.298 9.190 -1.992 1.00 0.00 N ATOM 700 CA ASP A 53 2.258 10.609 -2.302 1.00 0.00 C ATOM 701 C ASP A 53 2.899 11.396 -1.156 1.00 0.00 C ATOM 702 O ASP A 53 3.261 10.822 -0.131 1.00 0.00 O ATOM 703 CB ASP A 53 0.816 11.097 -2.461 1.00 0.00 C ATOM 704 CG ASP A 53 0.665 12.449 -3.162 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.717 13.049 -3.471 1.00 0.00 O ATOM 706 OD2 ASP A 53 -0.499 12.851 -3.373 1.00 0.00 O ATOM 0 H ASP A 53 2.706 8.605 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 53 2.798 10.765 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.255 10.349 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.360 11.164 -1.473 1.00 0.00 H new ATOM 711 N SER A 54 3.019 12.698 -1.370 1.00 0.00 N ATOM 712 CA SER A 54 3.610 13.569 -0.368 1.00 0.00 C ATOM 713 C SER A 54 2.512 14.327 0.380 1.00 0.00 C ATOM 714 O SER A 54 2.046 13.879 1.427 1.00 0.00 O ATOM 715 CB SER A 54 4.594 14.553 -1.005 1.00 0.00 C ATOM 716 OG SER A 54 5.948 14.146 -0.824 1.00 0.00 O ATOM 0 H SER A 54 2.717 13.171 -2.222 1.00 0.00 H new ATOM 0 HA SER A 54 4.162 12.951 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.381 14.640 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.451 15.542 -0.569 1.00 0.00 H new ATOM 0 HG SER A 54 6.545 14.799 -1.246 1.00 0.00 H new ATOM 722 N ASN A 55 2.129 15.462 -0.186 1.00 0.00 N ATOM 723 CA ASN A 55 1.094 16.286 0.414 1.00 0.00 C ATOM 724 C ASN A 55 -0.126 16.318 -0.509 1.00 0.00 C ATOM 725 O ASN A 55 -1.180 16.830 -0.133 1.00 0.00 O ATOM 726 CB ASN A 55 1.578 17.724 0.607 1.00 0.00 C ATOM 727 CG ASN A 55 1.166 18.262 1.979 1.00 0.00 C ATOM 728 OD1 ASN A 55 0.073 18.770 2.173 1.00 0.00 O ATOM 729 ND2 ASN A 55 2.098 18.123 2.917 1.00 0.00 N ATOM 0 H ASN A 55 2.517 15.830 -1.054 1.00 0.00 H new ATOM 0 HA ASN A 55 0.842 15.857 1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.663 17.763 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.164 18.359 -0.176 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.919 18.451 3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.992 17.689 2.687 1.00 0.00 H new ATOM 736 N ASP A 56 0.057 15.765 -1.699 1.00 0.00 N ATOM 737 CA ASP A 56 -1.015 15.723 -2.678 1.00 0.00 C ATOM 738 C ASP A 56 -2.036 14.661 -2.265 1.00 0.00 C ATOM 739 O ASP A 56 -3.098 14.545 -2.876 1.00 0.00 O ATOM 740 CB ASP A 56 -0.482 15.353 -4.063 1.00 0.00 C ATOM 741 CG ASP A 56 -0.226 16.538 -4.996 1.00 0.00 C ATOM 742 OD1 ASP A 56 0.850 17.157 -4.846 1.00 0.00 O ATOM 743 OD2 ASP A 56 -1.113 16.800 -5.838 1.00 0.00 O ATOM 0 H ASP A 56 0.933 15.342 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.472 16.712 -2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.448 14.798 -3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.194 14.680 -4.542 1.00 0.00 H new ATOM 748 N CYS A 57 -1.680 13.914 -1.231 1.00 0.00 N ATOM 749 CA CYS A 57 -2.552 12.865 -0.729 1.00 0.00 C ATOM 750 C CYS A 57 -3.697 13.522 0.045 1.00 0.00 C ATOM 751 O CYS A 57 -3.628 14.704 0.377 1.00 0.00 O ATOM 752 CB CYS A 57 -1.787 11.856 0.129 1.00 0.00 C ATOM 753 SG CYS A 57 -1.814 10.138 -0.499 1.00 0.00 S ATOM 0 H CYS A 57 -0.799 14.014 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.960 12.296 -1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.750 12.182 0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.204 11.866 1.136 1.00 0.00 H new ATOM 758 N PRO A 58 -4.750 12.706 0.316 1.00 0.00 N ATOM 759 CA PRO A 58 -5.908 13.195 1.045 1.00 0.00 C ATOM 760 C PRO A 58 -5.595 13.344 2.535 1.00 0.00 C ATOM 761 O PRO A 58 -6.282 12.769 3.378 1.00 0.00 O ATOM 762 CB PRO A 58 -7.005 12.181 0.766 1.00 0.00 C ATOM 763 CG PRO A 58 -6.299 10.926 0.279 1.00 0.00 C ATOM 764 CD PRO A 58 -4.866 11.301 -0.063 1.00 0.00 C ATOM 0 HA PRO A 58 -6.215 14.191 0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.587 11.978 1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.700 12.555 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.318 10.154 1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.806 10.518 -0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.154 10.683 0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.662 11.159 -1.124 1.00 0.00 H new ATOM 772 N ASN A 59 -4.557 14.119 2.814 1.00 0.00 N ATOM 773 CA ASN A 59 -4.145 14.350 4.188 1.00 0.00 C ATOM 774 C ASN A 59 -5.001 15.465 4.792 1.00 0.00 C ATOM 775 O ASN A 59 -5.635 16.229 4.065 1.00 0.00 O ATOM 776 CB ASN A 59 -2.681 14.789 4.258 1.00 0.00 C ATOM 777 CG ASN A 59 -1.742 13.594 4.080 1.00 0.00 C ATOM 778 OD1 ASN A 59 -1.798 12.868 3.101 1.00 0.00 O ATOM 779 ND2 ASN A 59 -0.878 13.431 5.078 1.00 0.00 N ATOM 0 H ASN A 59 -3.989 14.595 2.112 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.269 13.417 4.738 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.482 15.531 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.487 15.269 5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.209 12.662 5.053 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.885 14.075 5.869 1.00 0.00 H new ATOM 786 N ALA A 60 -4.992 15.524 6.116 1.00 0.00 N ATOM 787 CA ALA A 60 -5.760 16.533 6.825 1.00 0.00 C ATOM 788 C ALA A 60 -7.125 16.696 6.153 1.00 0.00 C ATOM 789 O ALA A 60 -7.413 17.741 5.571 1.00 0.00 O ATOM 790 CB ALA A 60 -4.969 17.843 6.865 1.00 0.00 C ATOM 0 H ALA A 60 -4.465 14.889 6.716 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.935 16.227 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.545 18.600 7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.022 17.680 7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.776 18.183 5.847 1.00 0.00 H new TER 796 ALA A 60