USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=18 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 14 LYS NZ :NH3+ 176:sc= -1.6 (180deg=0) USER MOD Set 1.2: A 15 ASN : amide:sc= -4.07! C(o=-5.7!,f=-7.9!) USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -120:sc= 0.0531 (180deg=0) USER MOD Single : A 6 TYR OH : rot -21:sc= 0.208 USER MOD Single : A 7 THR OG1 : rot 65:sc= 0.729 USER MOD Single : A 8 SER OG : rot -41:sc= -0.685 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 64:sc= -2.44! USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 25 SER OG : rot 150:sc= -1.11! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.54! C(o=-2.5!,f=-8.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -106:sc= -8.16! USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -1.93! USER MOD Single : A 46 GLN : amide:sc= -0.0519 K(o=-0.052,f=-1.2!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.309 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= -0.169 K(o=-0.17,f=-1.7) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.886 -6.239 -6.613 1.00 0.00 N ATOM 2 CA ASP A 1 8.500 -6.570 -6.901 1.00 0.00 C ATOM 3 C ASP A 1 7.672 -6.433 -5.622 1.00 0.00 C ATOM 4 O ASP A 1 8.195 -6.589 -4.520 1.00 0.00 O ATOM 5 CB ASP A 1 8.370 -8.011 -7.397 1.00 0.00 C ATOM 6 CG ASP A 1 9.066 -8.303 -8.728 1.00 0.00 C ATOM 7 OD1 ASP A 1 8.859 -7.501 -9.664 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.790 -9.320 -8.779 1.00 0.00 O ATOM 0 H1 ASP A 1 10.179 -5.432 -7.200 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.982 -5.989 -5.608 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.490 -7.059 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 1 8.144 -5.889 -7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.777 -8.679 -6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 1 7.311 -8.250 -7.498 1.00 0.00 H new ATOM 13 N ILE A 2 6.393 -6.142 -5.812 1.00 0.00 N ATOM 14 CA ILE A 2 5.487 -5.982 -4.687 1.00 0.00 C ATOM 15 C ILE A 2 4.510 -7.159 -4.654 1.00 0.00 C ATOM 16 O ILE A 2 4.101 -7.601 -3.581 1.00 0.00 O ATOM 17 CB ILE A 2 4.802 -4.616 -4.741 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.458 -4.704 -5.468 1.00 0.00 C ATOM 19 CG2 ILE A 2 5.723 -3.565 -5.364 1.00 0.00 C ATOM 20 CD1 ILE A 2 2.783 -3.333 -5.540 1.00 0.00 C ATOM 0 H ILE A 2 5.963 -6.013 -6.728 1.00 0.00 H new ATOM 0 HA ILE A 2 6.039 -5.999 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 2 4.595 -4.298 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.610 -5.092 -6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.806 -5.408 -4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.212 -2.603 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.631 -3.477 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.984 -3.865 -6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.830 -3.424 -6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.610 -2.959 -4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.427 -2.638 -6.079 1.00 0.00 H new ATOM 32 N GLU A 3 4.164 -7.634 -5.841 1.00 0.00 N ATOM 33 CA GLU A 3 3.243 -8.751 -5.962 1.00 0.00 C ATOM 34 C GLU A 3 3.732 -9.935 -5.125 1.00 0.00 C ATOM 35 O GLU A 3 2.931 -10.741 -4.655 1.00 0.00 O ATOM 36 CB GLU A 3 3.057 -9.153 -7.426 1.00 0.00 C ATOM 37 CG GLU A 3 2.038 -10.286 -7.558 1.00 0.00 C ATOM 38 CD GLU A 3 2.737 -11.639 -7.704 1.00 0.00 C ATOM 39 OE1 GLU A 3 3.162 -11.939 -8.841 1.00 0.00 O ATOM 40 OE2 GLU A 3 2.830 -12.343 -6.676 1.00 0.00 O ATOM 0 H GLU A 3 4.505 -7.265 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 3 2.271 -8.438 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.725 -8.291 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.013 -9.468 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.390 -10.300 -6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.400 -10.107 -8.424 1.00 0.00 H new ATOM 47 N ASP A 4 5.046 -10.003 -4.966 1.00 0.00 N ATOM 48 CA ASP A 4 5.652 -11.075 -4.194 1.00 0.00 C ATOM 49 C ASP A 4 5.412 -10.824 -2.704 1.00 0.00 C ATOM 50 O ASP A 4 5.649 -11.703 -1.877 1.00 0.00 O ATOM 51 CB ASP A 4 7.163 -11.135 -4.426 1.00 0.00 C ATOM 52 CG ASP A 4 7.585 -11.406 -5.872 1.00 0.00 C ATOM 53 OD1 ASP A 4 6.671 -11.515 -6.719 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.810 -11.498 -6.098 1.00 0.00 O ATOM 0 H ASP A 4 5.708 -9.333 -5.359 1.00 0.00 H new ATOM 0 HA ASP A 4 5.201 -12.015 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.602 -10.190 -4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.583 -11.914 -3.789 1.00 0.00 H new ATOM 59 N PHE A 5 4.945 -9.620 -2.407 1.00 0.00 N ATOM 60 CA PHE A 5 4.670 -9.242 -1.031 1.00 0.00 C ATOM 61 C PHE A 5 3.201 -8.855 -0.852 1.00 0.00 C ATOM 62 O PHE A 5 2.842 -8.203 0.127 1.00 0.00 O ATOM 63 CB PHE A 5 5.547 -8.028 -0.718 1.00 0.00 C ATOM 64 CG PHE A 5 6.928 -8.384 -0.164 1.00 0.00 C ATOM 65 CD1 PHE A 5 7.968 -8.598 -1.014 1.00 0.00 C ATOM 66 CD2 PHE A 5 7.116 -8.488 1.179 1.00 0.00 C ATOM 67 CE1 PHE A 5 9.249 -8.928 -0.500 1.00 0.00 C ATOM 68 CE2 PHE A 5 8.398 -8.819 1.693 1.00 0.00 C ATOM 69 CZ PHE A 5 9.437 -9.032 0.843 1.00 0.00 C ATOM 0 H PHE A 5 4.750 -8.893 -3.096 1.00 0.00 H new ATOM 0 HA PHE A 5 4.881 -10.079 -0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.672 -7.439 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.030 -7.395 0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.819 -8.517 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.291 -8.319 1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.075 -9.097 -1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.547 -8.901 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.412 -9.284 1.234 1.00 0.00 H new ATOM 79 N TYR A 6 2.390 -9.274 -1.812 1.00 0.00 N ATOM 80 CA TYR A 6 0.968 -8.979 -1.772 1.00 0.00 C ATOM 81 C TYR A 6 0.243 -9.906 -0.794 1.00 0.00 C ATOM 82 O TYR A 6 0.296 -11.127 -0.935 1.00 0.00 O ATOM 83 CB TYR A 6 0.444 -9.239 -3.186 1.00 0.00 C ATOM 84 CG TYR A 6 -1.021 -8.846 -3.389 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.643 -8.011 -2.483 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.720 -9.325 -4.478 1.00 0.00 C ATOM 87 CE1 TYR A 6 -3.021 -7.640 -2.674 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.098 -8.955 -4.668 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.681 -8.130 -3.757 1.00 0.00 C ATOM 90 OH TYR A 6 -4.983 -7.780 -3.937 1.00 0.00 O ATOM 0 H TYR A 6 2.691 -9.816 -2.622 1.00 0.00 H new ATOM 0 HA TYR A 6 0.798 -7.953 -1.445 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.059 -8.688 -3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.561 -10.298 -3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.096 -7.636 -1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.233 -9.977 -5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.519 -6.987 -1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.657 -9.324 -5.515 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.363 -7.485 -3.083 1.00 0.00 H new ATOM 100 N THR A 7 -0.416 -9.290 0.176 1.00 0.00 N ATOM 101 CA THR A 7 -1.151 -10.045 1.178 1.00 0.00 C ATOM 102 C THR A 7 -2.658 -9.880 0.971 1.00 0.00 C ATOM 103 O THR A 7 -3.271 -8.977 1.539 1.00 0.00 O ATOM 104 CB THR A 7 -0.673 -9.588 2.558 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.339 -8.346 2.762 1.00 0.00 O ATOM 106 CG2 THR A 7 0.812 -9.222 2.571 1.00 0.00 C ATOM 0 H THR A 7 -0.457 -8.277 0.290 1.00 0.00 H new ATOM 0 HA THR A 7 -0.958 -11.114 1.089 1.00 0.00 H new ATOM 0 HB THR A 7 -0.858 -10.377 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.305 -8.499 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.100 -8.905 3.573 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.403 -10.091 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.993 -8.409 1.867 1.00 0.00 H new ATOM 114 N SER A 8 -3.211 -10.766 0.156 1.00 0.00 N ATOM 115 CA SER A 8 -4.635 -10.729 -0.133 1.00 0.00 C ATOM 116 C SER A 8 -5.424 -11.283 1.055 1.00 0.00 C ATOM 117 O SER A 8 -6.652 -11.339 1.017 1.00 0.00 O ATOM 118 CB SER A 8 -4.960 -11.521 -1.401 1.00 0.00 C ATOM 119 OG SER A 8 -6.343 -11.451 -1.735 1.00 0.00 O ATOM 0 H SER A 8 -2.699 -11.513 -0.313 1.00 0.00 H new ATOM 0 HA SER A 8 -4.923 -9.691 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.367 -11.136 -2.231 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.673 -12.563 -1.261 1.00 0.00 H new ATOM 0 HG SER A 8 -6.881 -11.522 -0.919 1.00 0.00 H new ATOM 125 N GLU A 9 -4.686 -11.679 2.082 1.00 0.00 N ATOM 126 CA GLU A 9 -5.302 -12.226 3.279 1.00 0.00 C ATOM 127 C GLU A 9 -5.885 -11.102 4.137 1.00 0.00 C ATOM 128 O GLU A 9 -6.982 -11.234 4.678 1.00 0.00 O ATOM 129 CB GLU A 9 -4.300 -13.063 4.077 1.00 0.00 C ATOM 130 CG GLU A 9 -4.859 -14.457 4.370 1.00 0.00 C ATOM 131 CD GLU A 9 -3.911 -15.250 5.271 1.00 0.00 C ATOM 132 OE1 GLU A 9 -2.842 -15.647 4.761 1.00 0.00 O ATOM 133 OE2 GLU A 9 -4.278 -15.441 6.451 1.00 0.00 O ATOM 0 H GLU A 9 -3.667 -11.632 2.110 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.116 -12.885 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.368 -13.151 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.064 -12.558 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.833 -14.368 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.012 -14.995 3.435 1.00 0.00 H new ATOM 140 N THR A 10 -5.125 -10.021 4.236 1.00 0.00 N ATOM 141 CA THR A 10 -5.552 -8.875 5.020 1.00 0.00 C ATOM 142 C THR A 10 -5.955 -7.721 4.100 1.00 0.00 C ATOM 143 O THR A 10 -6.745 -6.861 4.487 1.00 0.00 O ATOM 144 CB THR A 10 -4.422 -8.516 5.987 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.752 -7.203 6.434 1.00 0.00 O ATOM 146 CG2 THR A 10 -3.078 -8.340 5.277 1.00 0.00 C ATOM 0 H THR A 10 -4.216 -9.915 3.786 1.00 0.00 H new ATOM 0 HA THR A 10 -6.440 -9.106 5.608 1.00 0.00 H new ATOM 0 HB THR A 10 -4.333 -9.293 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.071 -6.892 7.067 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.311 -8.086 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.807 -9.269 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.157 -7.540 4.541 1.00 0.00 H new ATOM 154 N CYS A 11 -5.394 -7.738 2.900 1.00 0.00 N ATOM 155 CA CYS A 11 -5.685 -6.704 1.923 1.00 0.00 C ATOM 156 C CYS A 11 -7.166 -6.796 1.552 1.00 0.00 C ATOM 157 O CYS A 11 -7.691 -7.888 1.343 1.00 0.00 O ATOM 158 CB CYS A 11 -4.781 -6.817 0.693 1.00 0.00 C ATOM 159 SG CYS A 11 -4.885 -5.407 -0.469 1.00 0.00 S ATOM 0 H CYS A 11 -4.739 -8.452 2.582 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.480 -5.725 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.748 -6.919 1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.034 -7.731 0.156 1.00 0.00 H new ATOM 164 N PRO A 12 -7.816 -5.603 1.482 1.00 0.00 N ATOM 165 CA PRO A 12 -9.227 -5.538 1.140 1.00 0.00 C ATOM 166 C PRO A 12 -9.441 -5.783 -0.355 1.00 0.00 C ATOM 167 O PRO A 12 -10.577 -5.804 -0.827 1.00 0.00 O ATOM 168 CB PRO A 12 -9.677 -4.157 1.586 1.00 0.00 C ATOM 169 CG PRO A 12 -8.408 -3.333 1.733 1.00 0.00 C ATOM 170 CD PRO A 12 -7.227 -4.289 1.723 1.00 0.00 C ATOM 0 HA PRO A 12 -9.815 -6.312 1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.350 -3.710 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.221 -4.209 2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.324 -2.614 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.429 -2.762 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.512 -4.027 0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.689 -4.264 2.671 1.00 0.00 H new ATOM 178 N TYR A 13 -8.333 -5.963 -1.057 1.00 0.00 N ATOM 179 CA TYR A 13 -8.385 -6.206 -2.489 1.00 0.00 C ATOM 180 C TYR A 13 -7.690 -7.521 -2.848 1.00 0.00 C ATOM 181 O TYR A 13 -6.740 -7.928 -2.180 1.00 0.00 O ATOM 182 CB TYR A 13 -7.627 -5.048 -3.141 1.00 0.00 C ATOM 183 CG TYR A 13 -8.274 -3.679 -2.922 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.324 -3.276 -3.722 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.807 -2.846 -1.925 1.00 0.00 C ATOM 186 CE1 TYR A 13 -9.933 -1.988 -3.516 1.00 0.00 C ATOM 187 CE2 TYR A 13 -8.416 -1.558 -1.719 1.00 0.00 C ATOM 188 CZ TYR A 13 -9.449 -1.192 -2.525 1.00 0.00 C ATOM 189 OH TYR A 13 -10.024 0.025 -2.331 1.00 0.00 O ATOM 0 H TYR A 13 -7.393 -5.946 -0.661 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.418 -6.274 -2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.611 -5.025 -2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.550 -5.235 -4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.689 -3.927 -4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.985 -3.161 -1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.756 -1.661 -4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -8.061 -0.897 -0.942 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.577 0.484 -1.589 1.00 0.00 H new ATOM 199 N LYS A 14 -8.191 -8.149 -3.901 1.00 0.00 N ATOM 200 CA LYS A 14 -7.631 -9.410 -4.357 1.00 0.00 C ATOM 201 C LYS A 14 -7.526 -9.395 -5.883 1.00 0.00 C ATOM 202 O LYS A 14 -7.618 -10.440 -6.526 1.00 0.00 O ATOM 203 CB LYS A 14 -8.441 -10.586 -3.808 1.00 0.00 C ATOM 204 CG LYS A 14 -9.941 -10.293 -3.865 1.00 0.00 C ATOM 205 CD LYS A 14 -10.434 -10.238 -5.312 1.00 0.00 C ATOM 206 CE LYS A 14 -10.621 -8.791 -5.773 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.719 -8.699 -6.761 1.00 0.00 N ATOM 0 H LYS A 14 -8.979 -7.808 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.621 -9.540 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.220 -11.485 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.145 -10.787 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.487 -11.063 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.149 -9.345 -3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.719 -10.741 -5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.378 -10.776 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.842 -8.156 -4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.695 -8.421 -6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.877 -7.702 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.464 -9.235 -7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.589 -9.095 -6.351 1.00 0.00 H new ATOM 221 N ASN A 15 -7.335 -8.198 -6.419 1.00 0.00 N ATOM 222 CA ASN A 15 -7.217 -8.033 -7.858 1.00 0.00 C ATOM 223 C ASN A 15 -5.913 -7.300 -8.177 1.00 0.00 C ATOM 224 O ASN A 15 -5.929 -6.121 -8.528 1.00 0.00 O ATOM 225 CB ASN A 15 -8.375 -7.202 -8.414 1.00 0.00 C ATOM 226 CG ASN A 15 -9.611 -8.073 -8.648 1.00 0.00 C ATOM 227 OD1 ASN A 15 -9.595 -9.280 -8.473 1.00 0.00 O ATOM 228 ND2 ASN A 15 -10.682 -7.395 -9.052 1.00 0.00 N ATOM 0 H ASN A 15 -7.259 -7.334 -5.883 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.233 -9.023 -8.314 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.618 -6.399 -7.718 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.074 -6.732 -9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.557 -7.886 -9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.628 -6.384 -9.179 1.00 0.00 H new ATOM 235 N ASP A 16 -4.814 -8.028 -8.045 1.00 0.00 N ATOM 236 CA ASP A 16 -3.503 -7.461 -8.315 1.00 0.00 C ATOM 237 C ASP A 16 -3.082 -6.578 -7.139 1.00 0.00 C ATOM 238 O ASP A 16 -3.823 -5.684 -6.732 1.00 0.00 O ATOM 239 CB ASP A 16 -3.528 -6.592 -9.574 1.00 0.00 C ATOM 240 CG ASP A 16 -2.465 -6.937 -10.619 1.00 0.00 C ATOM 241 OD1 ASP A 16 -1.669 -7.858 -10.336 1.00 0.00 O ATOM 242 OD2 ASP A 16 -2.473 -6.271 -11.677 1.00 0.00 O ATOM 0 H ASP A 16 -4.804 -9.006 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.803 -8.284 -8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.511 -6.677 -10.036 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.403 -5.550 -9.280 1.00 0.00 H new ATOM 247 N SER A 17 -1.894 -6.858 -6.625 1.00 0.00 N ATOM 248 CA SER A 17 -1.365 -6.101 -5.504 1.00 0.00 C ATOM 249 C SER A 17 -1.193 -4.633 -5.899 1.00 0.00 C ATOM 250 O SER A 17 -1.141 -3.756 -5.038 1.00 0.00 O ATOM 251 CB SER A 17 -0.033 -6.681 -5.026 1.00 0.00 C ATOM 252 OG SER A 17 0.132 -6.549 -3.617 1.00 0.00 O ATOM 0 H SER A 17 -1.282 -7.600 -6.965 1.00 0.00 H new ATOM 0 HA SER A 17 -2.076 -6.169 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.023 -7.734 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.787 -6.175 -5.536 1.00 0.00 H new ATOM 0 HG SER A 17 -0.556 -7.073 -3.157 1.00 0.00 H new ATOM 258 N GLN A 18 -1.108 -4.410 -7.203 1.00 0.00 N ATOM 259 CA GLN A 18 -0.942 -3.063 -7.722 1.00 0.00 C ATOM 260 C GLN A 18 -2.230 -2.259 -7.531 1.00 0.00 C ATOM 261 O GLN A 18 -2.193 -1.031 -7.457 1.00 0.00 O ATOM 262 CB GLN A 18 -0.527 -3.091 -9.195 1.00 0.00 C ATOM 263 CG GLN A 18 0.321 -1.867 -9.548 1.00 0.00 C ATOM 264 CD GLN A 18 0.923 -2.003 -10.948 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.744 -2.995 -11.635 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.644 -0.953 -11.331 1.00 0.00 N ATOM 0 H GLN A 18 -1.151 -5.139 -7.915 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.145 -2.574 -7.163 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.037 -4.001 -9.401 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.415 -3.117 -9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.293 -0.968 -9.498 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.119 -1.749 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.754 -0.154 -10.706 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.087 -0.946 -12.250 1.00 0.00 H new ATOM 275 N LEU A 19 -3.337 -2.983 -7.457 1.00 0.00 N ATOM 276 CA LEU A 19 -4.633 -2.351 -7.276 1.00 0.00 C ATOM 277 C LEU A 19 -4.690 -1.702 -5.892 1.00 0.00 C ATOM 278 O LEU A 19 -4.959 -0.507 -5.774 1.00 0.00 O ATOM 279 CB LEU A 19 -5.758 -3.356 -7.531 1.00 0.00 C ATOM 280 CG LEU A 19 -7.165 -2.902 -7.136 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.604 -1.694 -7.964 1.00 0.00 C ATOM 282 CD2 LEU A 19 -8.162 -4.058 -7.235 1.00 0.00 C ATOM 0 H LEU A 19 -3.363 -4.001 -7.519 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.775 -1.555 -8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.762 -3.605 -8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.528 -4.274 -6.989 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.142 -2.586 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.607 -1.392 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.912 -0.869 -7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.607 -1.959 -9.021 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.154 -3.708 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.189 -4.428 -8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.854 -4.862 -6.567 1.00 0.00 H new ATOM 294 N ALA A 20 -4.433 -2.516 -4.880 1.00 0.00 N ATOM 295 CA ALA A 20 -4.451 -2.036 -3.509 1.00 0.00 C ATOM 296 C ALA A 20 -3.352 -0.987 -3.325 1.00 0.00 C ATOM 297 O ALA A 20 -3.471 -0.100 -2.482 1.00 0.00 O ATOM 298 CB ALA A 20 -4.295 -3.218 -2.551 1.00 0.00 C ATOM 0 H ALA A 20 -4.211 -3.506 -4.982 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.404 -1.558 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.309 -2.857 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.117 -3.918 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.348 -3.722 -2.746 1.00 0.00 H new ATOM 304 N TRP A 21 -2.308 -1.125 -4.129 1.00 0.00 N ATOM 305 CA TRP A 21 -1.188 -0.201 -4.066 1.00 0.00 C ATOM 306 C TRP A 21 -1.610 1.100 -4.751 1.00 0.00 C ATOM 307 O TRP A 21 -1.316 2.189 -4.260 1.00 0.00 O ATOM 308 CB TRP A 21 0.069 -0.819 -4.680 1.00 0.00 C ATOM 309 CG TRP A 21 1.133 0.203 -5.082 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.168 0.970 -6.180 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.324 0.542 -4.340 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.288 1.775 -6.201 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.014 1.506 -5.046 1.00 0.00 C ATOM 314 CE3 TRP A 21 2.802 0.050 -3.112 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.222 2.062 -4.606 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.010 0.615 -2.687 1.00 0.00 C ATOM 317 CH2 TRP A 21 4.717 1.586 -3.386 1.00 0.00 C ATOM 0 H TRP A 21 -2.214 -1.862 -4.827 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.927 0.019 -3.031 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.503 -1.518 -3.966 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.215 -1.397 -5.559 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.413 0.959 -6.952 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.538 2.444 -6.929 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.279 -0.704 -2.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.743 2.817 -5.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.422 0.272 -1.749 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.645 1.972 -2.990 1.00 0.00 H new ATOM 328 N ASP A 22 -2.293 0.945 -5.875 1.00 0.00 N ATOM 329 CA ASP A 22 -2.759 2.094 -6.633 1.00 0.00 C ATOM 330 C ASP A 22 -3.787 2.865 -5.803 1.00 0.00 C ATOM 331 O ASP A 22 -4.108 4.011 -6.113 1.00 0.00 O ATOM 332 CB ASP A 22 -3.434 1.658 -7.935 1.00 0.00 C ATOM 333 CG ASP A 22 -2.629 1.939 -9.206 1.00 0.00 C ATOM 334 OD1 ASP A 22 -1.407 1.681 -9.172 1.00 0.00 O ATOM 335 OD2 ASP A 22 -3.255 2.406 -10.183 1.00 0.00 O ATOM 0 H ASP A 22 -2.535 0.041 -6.280 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.895 2.717 -6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.638 0.589 -7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.397 2.162 -8.014 1.00 0.00 H new ATOM 340 N THR A 23 -4.275 2.205 -4.763 1.00 0.00 N ATOM 341 CA THR A 23 -5.261 2.813 -3.886 1.00 0.00 C ATOM 342 C THR A 23 -4.572 3.693 -2.840 1.00 0.00 C ATOM 343 O THR A 23 -4.940 4.853 -2.660 1.00 0.00 O ATOM 344 CB THR A 23 -6.107 1.694 -3.276 1.00 0.00 C ATOM 345 OG1 THR A 23 -7.367 1.816 -3.929 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.427 1.939 -1.800 1.00 0.00 C ATOM 0 H THR A 23 -4.006 1.255 -4.508 1.00 0.00 H new ATOM 0 HA THR A 23 -5.926 3.477 -4.438 1.00 0.00 H new ATOM 0 HB THR A 23 -5.582 0.745 -3.380 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.977 1.126 -3.594 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.029 1.115 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.499 2.005 -1.232 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.981 2.872 -1.698 1.00 0.00 H new ATOM 354 N CYS A 24 -3.585 3.108 -2.178 1.00 0.00 N ATOM 355 CA CYS A 24 -2.842 3.824 -1.155 1.00 0.00 C ATOM 356 C CYS A 24 -1.684 4.561 -1.830 1.00 0.00 C ATOM 357 O CYS A 24 -1.705 5.786 -1.943 1.00 0.00 O ATOM 358 CB CYS A 24 -2.354 2.886 -0.049 1.00 0.00 C ATOM 359 SG CYS A 24 -0.684 3.264 0.597 1.00 0.00 S ATOM 0 H CYS A 24 -3.282 2.146 -2.330 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.496 4.546 -0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.064 2.921 0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.358 1.865 -0.430 1.00 0.00 H new ATOM 364 N SER A 25 -0.701 3.784 -2.261 1.00 0.00 N ATOM 365 CA SER A 25 0.463 4.348 -2.922 1.00 0.00 C ATOM 366 C SER A 25 0.127 4.688 -4.375 1.00 0.00 C ATOM 367 O SER A 25 0.830 4.269 -5.294 1.00 0.00 O ATOM 368 CB SER A 25 1.650 3.385 -2.864 1.00 0.00 C ATOM 369 OG SER A 25 1.245 2.057 -2.541 1.00 0.00 O ATOM 0 H SER A 25 -0.687 2.769 -2.165 1.00 0.00 H new ATOM 0 HA SER A 25 0.744 5.261 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.163 3.384 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.366 3.736 -2.121 1.00 0.00 H new ATOM 0 HG SER A 25 1.863 1.417 -2.952 1.00 0.00 H new ATOM 375 N GLY A 26 -0.949 5.445 -4.539 1.00 0.00 N ATOM 376 CA GLY A 26 -1.387 5.846 -5.865 1.00 0.00 C ATOM 377 C GLY A 26 -1.516 7.368 -5.963 1.00 0.00 C ATOM 378 O GLY A 26 -1.923 7.894 -6.997 1.00 0.00 O ATOM 0 H GLY A 26 -1.530 5.791 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.676 5.489 -6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.346 5.381 -6.091 1.00 0.00 H new ATOM 382 N GLY A 27 -1.162 8.031 -4.872 1.00 0.00 N ATOM 383 CA GLY A 27 -1.233 9.481 -4.821 1.00 0.00 C ATOM 384 C GLY A 27 -2.464 9.943 -4.039 1.00 0.00 C ATOM 385 O GLY A 27 -2.429 10.975 -3.371 1.00 0.00 O ATOM 0 H GLY A 27 -0.825 7.590 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.331 9.876 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.269 9.883 -5.834 1.00 0.00 H new ATOM 389 N THR A 28 -3.524 9.156 -4.147 1.00 0.00 N ATOM 390 CA THR A 28 -4.764 9.471 -3.458 1.00 0.00 C ATOM 391 C THR A 28 -5.343 8.216 -2.802 1.00 0.00 C ATOM 392 O THR A 28 -4.646 7.214 -2.646 1.00 0.00 O ATOM 393 CB THR A 28 -5.713 10.122 -4.466 1.00 0.00 C ATOM 394 OG1 THR A 28 -5.763 9.194 -5.546 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.125 11.389 -5.090 1.00 0.00 C ATOM 0 H THR A 28 -3.550 8.300 -4.702 1.00 0.00 H new ATOM 0 HA THR A 28 -4.596 10.177 -2.645 1.00 0.00 H new ATOM 0 HB THR A 28 -6.655 10.364 -3.973 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.359 9.537 -6.245 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.839 11.811 -5.798 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.917 12.118 -4.306 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.200 11.142 -5.611 1.00 0.00 H new ATOM 403 N GLY A 29 -6.612 8.311 -2.434 1.00 0.00 N ATOM 404 CA GLY A 29 -7.293 7.196 -1.798 1.00 0.00 C ATOM 405 C GLY A 29 -7.037 7.185 -0.289 1.00 0.00 C ATOM 406 O GLY A 29 -7.124 8.223 0.366 1.00 0.00 O ATOM 0 H GLY A 29 -7.187 9.143 -2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.364 7.263 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.950 6.258 -2.235 1.00 0.00 H new ATOM 410 N ASN A 30 -6.725 6.002 0.217 1.00 0.00 N ATOM 411 CA ASN A 30 -6.456 5.842 1.636 1.00 0.00 C ATOM 412 C ASN A 30 -4.946 5.716 1.853 1.00 0.00 C ATOM 413 O ASN A 30 -4.498 4.920 2.677 1.00 0.00 O ATOM 414 CB ASN A 30 -7.119 4.577 2.184 1.00 0.00 C ATOM 415 CG ASN A 30 -6.543 3.325 1.522 1.00 0.00 C ATOM 416 OD1 ASN A 30 -5.427 3.308 1.030 1.00 0.00 O ATOM 417 ND2 ASN A 30 -7.365 2.279 1.536 1.00 0.00 N ATOM 0 H ASN A 30 -6.652 5.144 -0.330 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.857 6.713 2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.971 4.523 3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.194 4.622 2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.073 1.395 1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.287 2.361 1.965 1.00 0.00 H new ATOM 424 N CYS A 31 -4.204 6.513 1.099 1.00 0.00 N ATOM 425 CA CYS A 31 -2.754 6.501 1.198 1.00 0.00 C ATOM 426 C CYS A 31 -2.369 6.819 2.645 1.00 0.00 C ATOM 427 O CYS A 31 -2.872 7.777 3.228 1.00 0.00 O ATOM 428 CB CYS A 31 -2.111 7.475 0.209 1.00 0.00 C ATOM 429 SG CYS A 31 -1.832 9.161 0.864 1.00 0.00 S ATOM 0 H CYS A 31 -4.579 7.172 0.417 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.377 5.514 0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.155 7.064 -0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.745 7.544 -0.675 1.00 0.00 H new ATOM 434 N GLY A 32 -1.480 5.995 3.181 1.00 0.00 N ATOM 435 CA GLY A 32 -1.022 6.177 4.548 1.00 0.00 C ATOM 436 C GLY A 32 0.073 5.166 4.898 1.00 0.00 C ATOM 437 O GLY A 32 0.496 4.385 4.047 1.00 0.00 O ATOM 0 H GLY A 32 -1.065 5.201 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.641 7.190 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.861 6.063 5.235 1.00 0.00 H new ATOM 441 N THR A 33 0.500 5.215 6.151 1.00 0.00 N ATOM 442 CA THR A 33 1.537 4.314 6.624 1.00 0.00 C ATOM 443 C THR A 33 0.925 2.984 7.071 1.00 0.00 C ATOM 444 O THR A 33 1.647 2.042 7.392 1.00 0.00 O ATOM 445 CB THR A 33 2.315 5.028 7.731 1.00 0.00 C ATOM 446 OG1 THR A 33 2.845 6.186 7.092 1.00 0.00 O ATOM 447 CG2 THR A 33 3.554 4.246 8.173 1.00 0.00 C ATOM 0 H THR A 33 0.147 5.865 6.853 1.00 0.00 H new ATOM 0 HA THR A 33 2.236 4.062 5.827 1.00 0.00 H new ATOM 0 HB THR A 33 1.662 5.188 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.363 6.708 7.739 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.070 4.796 8.960 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.252 3.269 8.551 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.224 4.115 7.323 1.00 0.00 H new ATOM 455 N VAL A 34 -0.399 2.951 7.077 1.00 0.00 N ATOM 456 CA VAL A 34 -1.116 1.753 7.479 1.00 0.00 C ATOM 457 C VAL A 34 -1.161 0.773 6.305 1.00 0.00 C ATOM 458 O VAL A 34 -1.105 -0.440 6.502 1.00 0.00 O ATOM 459 CB VAL A 34 -2.505 2.125 8.001 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.307 0.874 8.366 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.406 3.080 9.192 1.00 0.00 C ATOM 0 H VAL A 34 -0.994 3.735 6.810 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.598 1.255 8.299 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.036 2.641 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.290 1.167 8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.423 0.245 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.780 0.317 9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.407 3.328 9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.847 2.602 9.996 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.893 3.991 8.886 1.00 0.00 H new ATOM 471 N CYS A 35 -1.262 1.335 5.109 1.00 0.00 N ATOM 472 CA CYS A 35 -1.315 0.526 3.904 1.00 0.00 C ATOM 473 C CYS A 35 -0.002 -0.251 3.788 1.00 0.00 C ATOM 474 O CYS A 35 0.085 -1.222 3.039 1.00 0.00 O ATOM 475 CB CYS A 35 -1.585 1.378 2.662 1.00 0.00 C ATOM 476 SG CYS A 35 -0.256 1.345 1.405 1.00 0.00 S ATOM 0 H CYS A 35 -1.309 2.341 4.949 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.146 -0.176 3.971 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.512 1.038 2.200 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.745 2.410 2.974 1.00 0.00 H new ATOM 481 N CYS A 36 0.988 0.207 4.542 1.00 0.00 N ATOM 482 CA CYS A 36 2.292 -0.433 4.533 1.00 0.00 C ATOM 483 C CYS A 36 2.103 -1.915 4.863 1.00 0.00 C ATOM 484 O CYS A 36 2.143 -2.763 3.972 1.00 0.00 O ATOM 485 CB CYS A 36 3.262 0.247 5.502 1.00 0.00 C ATOM 486 SG CYS A 36 3.549 2.025 5.177 1.00 0.00 S ATOM 0 H CYS A 36 0.912 1.013 5.162 1.00 0.00 H new ATOM 0 HA CYS A 36 2.740 -0.336 3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.879 0.134 6.516 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.218 -0.274 5.463 1.00 0.00 H new ATOM 0 HG CYS A 36 4.731 2.186 4.660 1.00 0.00 H new ATOM 491 N GLY A 37 1.900 -2.182 6.144 1.00 0.00 N ATOM 492 CA GLY A 37 1.704 -3.547 6.602 1.00 0.00 C ATOM 493 C GLY A 37 0.229 -3.945 6.527 1.00 0.00 C ATOM 494 O GLY A 37 -0.328 -4.467 7.492 1.00 0.00 O ATOM 0 H GLY A 37 1.867 -1.476 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.299 -4.227 5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.059 -3.644 7.628 1.00 0.00 H new ATOM 498 N GLN A 38 -0.364 -3.682 5.371 1.00 0.00 N ATOM 499 CA GLN A 38 -1.764 -4.005 5.157 1.00 0.00 C ATOM 500 C GLN A 38 -1.913 -4.966 3.975 1.00 0.00 C ATOM 501 O GLN A 38 -2.445 -6.064 4.126 1.00 0.00 O ATOM 502 CB GLN A 38 -2.593 -2.738 4.941 1.00 0.00 C ATOM 503 CG GLN A 38 -3.965 -2.859 5.608 1.00 0.00 C ATOM 504 CD GLN A 38 -4.903 -1.745 5.140 1.00 0.00 C ATOM 505 OE1 GLN A 38 -4.508 -0.607 4.945 1.00 0.00 O ATOM 506 NE2 GLN A 38 -6.163 -2.134 4.971 1.00 0.00 N ATOM 0 H GLN A 38 0.100 -3.249 4.573 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.143 -4.499 6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.062 -1.878 5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.718 -2.559 3.873 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.402 -3.830 5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.852 -2.813 6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.426 -3.103 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.866 -1.464 4.660 1.00 0.00 H new ATOM 515 N CYS A 39 -1.433 -4.516 2.825 1.00 0.00 N ATOM 516 CA CYS A 39 -1.506 -5.321 1.618 1.00 0.00 C ATOM 517 C CYS A 39 -0.083 -5.723 1.222 1.00 0.00 C ATOM 518 O CYS A 39 0.107 -6.613 0.394 1.00 0.00 O ATOM 519 CB CYS A 39 -2.226 -4.583 0.488 1.00 0.00 C ATOM 520 SG CYS A 39 -3.919 -4.020 0.895 1.00 0.00 S ATOM 0 H CYS A 39 -0.992 -3.604 2.704 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.096 -6.217 1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.630 -3.717 0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.275 -5.239 -0.381 1.00 0.00 H new ATOM 525 N PHE A 40 0.880 -5.047 1.832 1.00 0.00 N ATOM 526 CA PHE A 40 2.279 -5.322 1.553 1.00 0.00 C ATOM 527 C PHE A 40 3.092 -5.390 2.847 1.00 0.00 C ATOM 528 O PHE A 40 2.573 -5.111 3.926 1.00 0.00 O ATOM 529 CB PHE A 40 2.800 -4.166 0.697 1.00 0.00 C ATOM 530 CG PHE A 40 1.747 -3.552 -0.228 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.532 -4.084 -1.461 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.026 -2.475 0.183 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.555 -3.515 -2.320 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.049 -1.906 -0.676 1.00 0.00 C ATOM 535 CZ PHE A 40 -0.166 -2.438 -1.909 1.00 0.00 C ATOM 0 H PHE A 40 0.719 -4.310 2.518 1.00 0.00 H new ATOM 0 HA PHE A 40 2.376 -6.281 1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.190 -3.388 1.354 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.635 -4.522 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.105 -4.940 -1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.196 -2.053 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.385 -3.937 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.524 -1.050 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.909 -2.005 -2.562 1.00 0.00 H new ATOM 545 N SER A 41 4.355 -5.763 2.696 1.00 0.00 N ATOM 546 CA SER A 41 5.245 -5.872 3.839 1.00 0.00 C ATOM 547 C SER A 41 6.643 -5.378 3.461 1.00 0.00 C ATOM 548 O SER A 41 7.004 -5.363 2.285 1.00 0.00 O ATOM 549 CB SER A 41 5.311 -7.312 4.351 1.00 0.00 C ATOM 550 OG SER A 41 4.300 -7.581 5.319 1.00 0.00 O ATOM 0 H SER A 41 4.783 -5.993 1.799 1.00 0.00 H new ATOM 0 HA SER A 41 4.850 -5.248 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.203 -8.000 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.292 -7.496 4.790 1.00 0.00 H new ATOM 0 HG SER A 41 4.374 -8.511 5.620 1.00 0.00 H new ATOM 556 N PHE A 42 7.393 -4.986 4.481 1.00 0.00 N ATOM 557 CA PHE A 42 8.744 -4.493 4.271 1.00 0.00 C ATOM 558 C PHE A 42 9.581 -5.506 3.488 1.00 0.00 C ATOM 559 O PHE A 42 9.306 -6.704 3.523 1.00 0.00 O ATOM 560 CB PHE A 42 9.367 -4.294 5.654 1.00 0.00 C ATOM 561 CG PHE A 42 9.935 -2.892 5.885 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.096 -1.849 6.125 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.280 -2.689 5.850 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.623 -0.549 6.339 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.807 -1.388 6.064 1.00 0.00 C ATOM 566 CZ PHE A 42 10.968 -0.346 6.304 1.00 0.00 C ATOM 0 H PHE A 42 7.091 -5.000 5.455 1.00 0.00 H new ATOM 0 HA PHE A 42 8.718 -3.565 3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.613 -4.499 6.414 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.164 -5.025 5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.028 -2.010 6.153 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.947 -3.517 5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.957 0.279 6.530 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.874 -1.226 6.036 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.369 0.643 6.467 1.00 0.00 H new ATOM 576 N PRO A 43 10.615 -4.974 2.782 1.00 0.00 N ATOM 577 CA PRO A 43 10.872 -3.544 2.795 1.00 0.00 C ATOM 578 C PRO A 43 9.852 -2.796 1.934 1.00 0.00 C ATOM 579 O PRO A 43 9.986 -1.593 1.710 1.00 0.00 O ATOM 580 CB PRO A 43 12.298 -3.396 2.290 1.00 0.00 C ATOM 581 CG PRO A 43 12.624 -4.698 1.577 1.00 0.00 C ATOM 582 CD PRO A 43 11.562 -5.716 1.955 1.00 0.00 C ATOM 0 HA PRO A 43 10.768 -3.107 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.386 -2.547 1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.988 -3.219 3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.641 -4.548 0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.613 -5.054 1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.077 -6.129 1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.994 -6.554 2.502 1.00 0.00 H new ATOM 590 N VAL A 44 8.855 -3.538 1.474 1.00 0.00 N ATOM 591 CA VAL A 44 7.813 -2.960 0.643 1.00 0.00 C ATOM 592 C VAL A 44 6.943 -2.032 1.494 1.00 0.00 C ATOM 593 O VAL A 44 6.511 -0.980 1.027 1.00 0.00 O ATOM 594 CB VAL A 44 7.013 -4.070 -0.041 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.332 -3.554 -1.310 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.901 -5.278 -0.347 1.00 0.00 C ATOM 0 H VAL A 44 8.747 -4.535 1.661 1.00 0.00 H new ATOM 0 HA VAL A 44 8.250 -2.356 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 44 6.234 -4.394 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.770 -4.363 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.652 -2.741 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.088 -3.189 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.307 -6.052 -0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.713 -4.975 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.316 -5.669 0.582 1.00 0.00 H new ATOM 606 N SER A 45 6.713 -2.457 2.727 1.00 0.00 N ATOM 607 CA SER A 45 5.903 -1.678 3.648 1.00 0.00 C ATOM 608 C SER A 45 6.425 -0.242 3.718 1.00 0.00 C ATOM 609 O SER A 45 5.717 0.659 4.165 1.00 0.00 O ATOM 610 CB SER A 45 5.893 -2.308 5.042 1.00 0.00 C ATOM 611 OG SER A 45 5.983 -1.327 6.072 1.00 0.00 O ATOM 0 H SER A 45 7.073 -3.331 3.110 1.00 0.00 H new ATOM 0 HA SER A 45 4.878 -1.668 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.979 -2.887 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.727 -3.005 5.131 1.00 0.00 H new ATOM 0 HG SER A 45 5.972 -1.769 6.947 1.00 0.00 H new ATOM 617 N GLN A 46 7.660 -0.072 3.269 1.00 0.00 N ATOM 618 CA GLN A 46 8.285 1.239 3.275 1.00 0.00 C ATOM 619 C GLN A 46 7.945 1.996 1.989 1.00 0.00 C ATOM 620 O GLN A 46 7.875 3.224 1.988 1.00 0.00 O ATOM 621 CB GLN A 46 9.800 1.124 3.459 1.00 0.00 C ATOM 622 CG GLN A 46 10.471 2.494 3.351 1.00 0.00 C ATOM 623 CD GLN A 46 10.388 3.252 4.677 1.00 0.00 C ATOM 624 OE1 GLN A 46 9.992 2.721 5.701 1.00 0.00 O ATOM 625 NE2 GLN A 46 10.783 4.520 4.602 1.00 0.00 N ATOM 0 H GLN A 46 8.245 -0.821 2.898 1.00 0.00 H new ATOM 0 HA GLN A 46 7.891 1.803 4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.019 0.683 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.212 0.453 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.515 2.370 3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.991 3.077 2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.104 4.903 3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.765 5.110 5.434 1.00 0.00 H new ATOM 634 N SER A 47 7.743 1.231 0.927 1.00 0.00 N ATOM 635 CA SER A 47 7.412 1.813 -0.363 1.00 0.00 C ATOM 636 C SER A 47 5.993 2.384 -0.330 1.00 0.00 C ATOM 637 O SER A 47 5.727 3.432 -0.918 1.00 0.00 O ATOM 638 CB SER A 47 7.542 0.780 -1.484 1.00 0.00 C ATOM 639 OG SER A 47 7.760 1.393 -2.752 1.00 0.00 O ATOM 0 H SER A 47 7.802 0.213 0.933 1.00 0.00 H new ATOM 0 HA SER A 47 8.117 2.619 -0.565 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.368 0.105 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.637 0.174 -1.525 1.00 0.00 H new ATOM 0 HG SER A 47 7.839 0.700 -3.441 1.00 0.00 H new ATOM 645 N CYS A 48 5.118 1.671 0.363 1.00 0.00 N ATOM 646 CA CYS A 48 3.732 2.093 0.480 1.00 0.00 C ATOM 647 C CYS A 48 3.711 3.529 1.007 1.00 0.00 C ATOM 648 O CYS A 48 3.323 4.451 0.292 1.00 0.00 O ATOM 649 CB CYS A 48 2.926 1.146 1.371 1.00 0.00 C ATOM 650 SG CYS A 48 1.478 1.910 2.190 1.00 0.00 S ATOM 0 H CYS A 48 5.342 0.803 0.850 1.00 0.00 H new ATOM 0 HA CYS A 48 3.254 2.059 -0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.583 0.306 0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.587 0.740 2.137 1.00 0.00 H new ATOM 655 N ALA A 49 4.133 3.674 2.255 1.00 0.00 N ATOM 656 CA ALA A 49 4.168 4.983 2.886 1.00 0.00 C ATOM 657 C ALA A 49 5.039 5.924 2.052 1.00 0.00 C ATOM 658 O ALA A 49 4.957 7.143 2.197 1.00 0.00 O ATOM 659 CB ALA A 49 4.671 4.843 4.324 1.00 0.00 C ATOM 0 H ALA A 49 4.453 2.907 2.846 1.00 0.00 H new ATOM 0 HA ALA A 49 3.168 5.414 2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.697 5.824 4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.001 4.189 4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.674 4.416 4.319 1.00 0.00 H new ATOM 665 N GLY A 50 5.853 5.323 1.197 1.00 0.00 N ATOM 666 CA GLY A 50 6.738 6.092 0.339 1.00 0.00 C ATOM 667 C GLY A 50 5.981 6.659 -0.863 1.00 0.00 C ATOM 668 O GLY A 50 5.999 7.867 -1.099 1.00 0.00 O ATOM 0 H GLY A 50 5.918 4.312 1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.185 6.907 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.555 5.459 -0.007 1.00 0.00 H new ATOM 672 N MET A 51 5.333 5.762 -1.591 1.00 0.00 N ATOM 673 CA MET A 51 4.571 6.158 -2.763 1.00 0.00 C ATOM 674 C MET A 51 3.156 6.592 -2.376 1.00 0.00 C ATOM 675 O MET A 51 2.276 6.686 -3.230 1.00 0.00 O ATOM 676 CB MET A 51 4.496 4.986 -3.744 1.00 0.00 C ATOM 677 CG MET A 51 3.865 5.419 -5.069 1.00 0.00 C ATOM 678 SD MET A 51 5.050 5.251 -6.393 1.00 0.00 S ATOM 679 CE MET A 51 4.804 6.810 -7.228 1.00 0.00 C ATOM 0 H MET A 51 5.320 4.762 -1.392 1.00 0.00 H new ATOM 0 HA MET A 51 5.075 7.003 -3.232 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.497 4.594 -3.925 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.911 4.177 -3.306 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.985 4.811 -5.278 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.528 6.453 -5.000 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.471 6.872 -8.088 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.770 6.883 -7.565 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.020 7.629 -6.541 1.00 0.00 H new ATOM 689 N ALA A 52 2.981 6.845 -1.087 1.00 0.00 N ATOM 690 CA ALA A 52 1.688 7.266 -0.576 1.00 0.00 C ATOM 691 C ALA A 52 1.605 8.794 -0.607 1.00 0.00 C ATOM 692 O ALA A 52 0.858 9.394 0.163 1.00 0.00 O ATOM 693 CB ALA A 52 1.485 6.700 0.830 1.00 0.00 C ATOM 0 H ALA A 52 3.713 6.766 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 52 0.884 6.879 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.515 7.016 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.523 5.611 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.272 7.069 1.488 1.00 0.00 H new ATOM 699 N ASP A 53 2.384 9.379 -1.505 1.00 0.00 N ATOM 700 CA ASP A 53 2.409 10.825 -1.646 1.00 0.00 C ATOM 701 C ASP A 53 2.837 11.455 -0.320 1.00 0.00 C ATOM 702 O ASP A 53 2.645 10.865 0.743 1.00 0.00 O ATOM 703 CB ASP A 53 1.023 11.367 -2.001 1.00 0.00 C ATOM 704 CG ASP A 53 0.843 11.772 -3.466 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.874 11.831 -4.169 1.00 0.00 O ATOM 706 OD2 ASP A 53 -0.323 12.013 -3.848 1.00 0.00 O ATOM 0 H ASP A 53 3.003 8.878 -2.142 1.00 0.00 H new ATOM 0 HA ASP A 53 3.109 11.074 -2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.279 10.609 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.816 12.233 -1.372 1.00 0.00 H new ATOM 711 N SER A 54 3.410 12.645 -0.424 1.00 0.00 N ATOM 712 CA SER A 54 3.868 13.362 0.754 1.00 0.00 C ATOM 713 C SER A 54 2.800 14.359 1.207 1.00 0.00 C ATOM 714 O SER A 54 2.045 14.085 2.139 1.00 0.00 O ATOM 715 CB SER A 54 5.188 14.085 0.481 1.00 0.00 C ATOM 716 OG SER A 54 6.290 13.442 1.115 1.00 0.00 O ATOM 0 H SER A 54 3.568 13.131 -1.307 1.00 0.00 H new ATOM 0 HA SER A 54 4.041 12.637 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.363 14.127 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.117 15.114 0.833 1.00 0.00 H new ATOM 0 HG SER A 54 7.114 13.933 0.915 1.00 0.00 H new ATOM 722 N ASN A 55 2.770 15.496 0.527 1.00 0.00 N ATOM 723 CA ASN A 55 1.807 16.535 0.848 1.00 0.00 C ATOM 724 C ASN A 55 0.743 16.595 -0.249 1.00 0.00 C ATOM 725 O ASN A 55 -0.249 17.311 -0.119 1.00 0.00 O ATOM 726 CB ASN A 55 2.482 17.906 0.928 1.00 0.00 C ATOM 727 CG ASN A 55 1.954 18.709 2.118 1.00 0.00 C ATOM 728 OD1 ASN A 55 1.718 18.188 3.196 1.00 0.00 O ATOM 729 ND2 ASN A 55 1.782 20.003 1.864 1.00 0.00 N ATOM 0 H ASN A 55 3.398 15.720 -0.245 1.00 0.00 H new ATOM 0 HA ASN A 55 1.362 16.295 1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.561 17.779 1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.304 18.457 0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.433 20.624 2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.999 20.374 0.939 1.00 0.00 H new ATOM 736 N ASP A 56 0.985 15.834 -1.306 1.00 0.00 N ATOM 737 CA ASP A 56 0.060 15.792 -2.426 1.00 0.00 C ATOM 738 C ASP A 56 -1.175 14.980 -2.031 1.00 0.00 C ATOM 739 O ASP A 56 -2.233 15.114 -2.644 1.00 0.00 O ATOM 740 CB ASP A 56 0.699 15.120 -3.643 1.00 0.00 C ATOM 741 CG ASP A 56 0.460 15.833 -4.975 1.00 0.00 C ATOM 742 OD1 ASP A 56 0.032 17.006 -4.922 1.00 0.00 O ATOM 743 OD2 ASP A 56 0.710 15.189 -6.017 1.00 0.00 O ATOM 0 H ASP A 56 1.809 15.241 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.209 16.817 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.774 15.046 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.317 14.102 -3.719 1.00 0.00 H new ATOM 748 N CYS A 57 -0.999 14.155 -1.010 1.00 0.00 N ATOM 749 CA CYS A 57 -2.086 13.321 -0.526 1.00 0.00 C ATOM 750 C CYS A 57 -2.972 14.169 0.389 1.00 0.00 C ATOM 751 O CYS A 57 -2.654 15.324 0.670 1.00 0.00 O ATOM 752 CB CYS A 57 -1.566 12.069 0.185 1.00 0.00 C ATOM 753 SG CYS A 57 -2.036 10.487 -0.606 1.00 0.00 S ATOM 0 H CYS A 57 -0.120 14.046 -0.504 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.675 12.962 -1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.479 12.124 0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.936 12.070 1.210 1.00 0.00 H new ATOM 758 N PRO A 58 -4.096 13.548 0.838 1.00 0.00 N ATOM 759 CA PRO A 58 -5.030 14.234 1.715 1.00 0.00 C ATOM 760 C PRO A 58 -4.475 14.334 3.137 1.00 0.00 C ATOM 761 O PRO A 58 -5.107 13.877 4.088 1.00 0.00 O ATOM 762 CB PRO A 58 -6.313 13.423 1.634 1.00 0.00 C ATOM 763 CG PRO A 58 -5.912 12.063 1.086 1.00 0.00 C ATOM 764 CD PRO A 58 -4.505 12.182 0.525 1.00 0.00 C ATOM 0 HA PRO A 58 -5.207 15.267 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.777 13.327 2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.041 13.907 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.947 11.309 1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.607 11.745 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.834 11.454 0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.490 12.001 -0.550 1.00 0.00 H new ATOM 772 N ASN A 59 -3.298 14.936 3.237 1.00 0.00 N ATOM 773 CA ASN A 59 -2.651 15.102 4.527 1.00 0.00 C ATOM 774 C ASN A 59 -2.421 16.592 4.790 1.00 0.00 C ATOM 775 O ASN A 59 -2.814 17.435 3.985 1.00 0.00 O ATOM 776 CB ASN A 59 -1.291 14.402 4.555 1.00 0.00 C ATOM 777 CG ASN A 59 -1.451 12.905 4.830 1.00 0.00 C ATOM 778 OD1 ASN A 59 -2.101 12.246 3.875 1.00 0.00 O flip ATOM 779 ND2 ASN A 59 -1.012 12.383 5.842 1.00 0.00 N flip ATOM 0 H ASN A 59 -2.777 15.314 2.446 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.298 14.664 5.287 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.783 14.548 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.662 14.852 5.324 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.522 12.948 6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.135 11.382 5.994 1.00 0.00 H new ATOM 786 N ALA A 60 -1.785 16.870 5.918 1.00 0.00 N ATOM 787 CA ALA A 60 -1.498 18.243 6.297 1.00 0.00 C ATOM 788 C ALA A 60 -0.655 18.903 5.203 1.00 0.00 C ATOM 789 O ALA A 60 -1.154 19.736 4.448 1.00 0.00 O ATOM 790 CB ALA A 60 -0.804 18.263 7.660 1.00 0.00 C ATOM 0 H ALA A 60 -1.460 16.168 6.582 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.421 18.815 6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.589 19.293 7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.456 17.809 8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.128 17.701 7.602 1.00 0.00 H new TER 796 ALA A 60