USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 772 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 64 ASN : amide:sc= -1! C(o=-5.5!,f=-16!) USER MOD Set 1.2: A 87 GLN : amide:sc= -4.54! C(o=-5.5!,f=-10!) USER MOD Set 2.1: A 49 HIS : no HE2:sc= -6.93! C(o=-11!,f=-15!) USER MOD Set 2.2: A 51 TYR OH : rot 153:sc= -3.89! USER MOD Set 3.1: A 42 SER OG : rot 25:sc= 0.618 USER MOD Set 3.2: A 44 SER OG : rot 180:sc= -0.123 USER MOD Set 4.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 30 ASN : amide:sc= -1.98! C(o=-2!,f=-3.5!) USER MOD Set 5.1: A 22 SER OG : rot -74:sc= 0.667 USER MOD Set 5.2: A 25 GLN : amide:sc= 0.629 X(o=1.3,f=1.3) USER MOD Single : A 1 SER N :NH3+ -104:sc= 0.708 (180deg=0.231) USER MOD Single : A 1 SER OG : rot 100:sc= -2.41! USER MOD Single : A 2 LYS NZ :NH3+ -108:sc= 0.44 (180deg=0) USER MOD Single : A 5 TYR OH : rot -81:sc= -0.344 USER MOD Single : A 7 SER OG : rot -37:sc= -0.964 USER MOD Single : A 8 HIS : no HD1:sc= -1.81! C(o=-1.8!,f=-7.1!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 155:sc= -1.49 (180deg=-4.37!) USER MOD Single : A 33 TYR OH : rot 147:sc= -0.315 USER MOD Single : A 47 THR OG1 : rot -81:sc= 1.42 USER MOD Single : A 53 ASN : amide:sc= -2.61! C(o=-2.6!,f=-9.7!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.539 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -145:sc= -1.57 (180deg=-5.13!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -90:sc= -2.29! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.22) USER MOD Single : A 82 SER OG : rot 46:sc= -0.638! USER MOD Single : A 85 CYS SG : rot 180:sc= -2.66 USER MOD Single : A 90 MET CE :methyl 167:sc= -1.63! (180deg=-2.03!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 105 GLN :FLIP amide:sc= -7.36! C(o=-8.5!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.877 -8.552 3.695 1.00 0.00 N ATOM 2 CA SER A 1 9.872 -9.435 3.040 1.00 0.00 C ATOM 3 C SER A 1 9.806 -9.092 1.551 1.00 0.00 C ATOM 4 O SER A 1 10.252 -8.045 1.131 1.00 0.00 O ATOM 5 CB SER A 1 8.501 -9.204 3.689 1.00 0.00 C ATOM 6 OG SER A 1 8.694 -8.614 4.972 1.00 0.00 O ATOM 0 H1 SER A 1 11.747 -9.092 3.878 1.00 0.00 H new ATOM 0 H2 SER A 1 11.093 -7.749 3.070 1.00 0.00 H new ATOM 0 H3 SER A 1 10.494 -8.198 4.595 1.00 0.00 H new ATOM 0 HA SER A 1 10.155 -10.481 3.160 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.891 -8.553 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.965 -10.148 3.785 1.00 0.00 H new ATOM 0 HG SER A 1 8.543 -7.648 4.914 1.00 0.00 H new ATOM 14 N LYS A 2 9.240 -9.952 0.741 1.00 0.00 N ATOM 15 CA LYS A 2 9.142 -9.649 -0.700 1.00 0.00 C ATOM 16 C LYS A 2 7.859 -8.862 -0.910 1.00 0.00 C ATOM 17 O LYS A 2 6.804 -9.259 -0.478 1.00 0.00 O ATOM 18 CB LYS A 2 9.074 -10.970 -1.486 1.00 0.00 C ATOM 19 CG LYS A 2 10.487 -11.410 -1.921 1.00 0.00 C ATOM 20 CD LYS A 2 10.883 -10.718 -3.244 1.00 0.00 C ATOM 21 CE LYS A 2 10.362 -11.521 -4.437 1.00 0.00 C ATOM 22 NZ LYS A 2 10.833 -10.884 -5.702 1.00 0.00 N ATOM 0 H LYS A 2 8.845 -10.848 1.025 1.00 0.00 H new ATOM 0 HA LYS A 2 10.004 -9.077 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.619 -11.745 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.439 -10.847 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.208 -11.161 -1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.515 -12.492 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.475 -9.708 -3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.967 -10.626 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.717 -12.550 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.273 -11.558 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.032 -10.421 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.562 -10.175 -5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.234 -11.611 -6.328 1.00 0.00 H new ATOM 36 N VAL A 3 7.934 -7.733 -1.529 1.00 0.00 N ATOM 37 CA VAL A 3 6.714 -6.906 -1.742 1.00 0.00 C ATOM 38 C VAL A 3 6.612 -6.594 -3.229 1.00 0.00 C ATOM 39 O VAL A 3 7.550 -6.119 -3.818 1.00 0.00 O ATOM 40 CB VAL A 3 6.916 -5.618 -0.917 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.374 -4.383 -1.643 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.233 -5.760 0.429 1.00 0.00 C ATOM 0 H VAL A 3 8.795 -7.335 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 3 5.798 -7.409 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 3 7.988 -5.478 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.537 -3.498 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.893 -4.263 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.306 -4.507 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.378 -4.848 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.167 -5.929 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.663 -6.605 0.968 1.00 0.00 H new ATOM 52 N VAL A 4 5.485 -6.857 -3.843 1.00 0.00 N ATOM 53 CA VAL A 4 5.325 -6.566 -5.308 1.00 0.00 C ATOM 54 C VAL A 4 4.310 -5.432 -5.508 1.00 0.00 C ATOM 55 O VAL A 4 3.242 -5.439 -4.954 1.00 0.00 O ATOM 56 CB VAL A 4 4.838 -7.825 -6.030 1.00 0.00 C ATOM 57 CG1 VAL A 4 5.237 -7.782 -7.513 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.448 -9.064 -5.367 1.00 0.00 C ATOM 0 H VAL A 4 4.664 -7.262 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 4 6.287 -6.260 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 4 3.751 -7.871 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.883 -8.684 -8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.789 -6.907 -7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.322 -7.723 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.101 -9.960 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.535 -9.010 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.143 -9.105 -4.321 1.00 0.00 H new ATOM 68 N TYR A 5 4.644 -4.492 -6.339 1.00 0.00 N ATOM 69 CA TYR A 5 3.724 -3.367 -6.658 1.00 0.00 C ATOM 70 C TYR A 5 3.219 -3.557 -8.085 1.00 0.00 C ATOM 71 O TYR A 5 3.989 -3.523 -9.021 1.00 0.00 O ATOM 72 CB TYR A 5 4.476 -2.038 -6.566 1.00 0.00 C ATOM 73 CG TYR A 5 4.687 -1.656 -5.118 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.707 -0.926 -4.436 1.00 0.00 C ATOM 75 CD2 TYR A 5 5.872 -2.014 -4.466 1.00 0.00 C ATOM 76 CE1 TYR A 5 3.915 -0.555 -3.098 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.079 -1.636 -3.133 1.00 0.00 C ATOM 78 CZ TYR A 5 5.103 -0.908 -2.450 1.00 0.00 C ATOM 79 OH TYR A 5 5.317 -0.526 -1.143 1.00 0.00 O ATOM 0 H TYR A 5 5.540 -4.454 -6.825 1.00 0.00 H new ATOM 0 HA TYR A 5 2.893 -3.354 -5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.438 -2.120 -7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.913 -1.257 -7.077 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.792 -0.648 -4.938 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.627 -2.581 -4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.157 0.003 -2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.996 -1.909 -2.632 1.00 0.00 H new ATOM 0 HH TYR A 5 5.625 0.404 -1.120 1.00 0.00 H new ATOM 89 N VAL A 6 1.933 -3.718 -8.279 1.00 0.00 N ATOM 90 CA VAL A 6 1.394 -3.862 -9.670 1.00 0.00 C ATOM 91 C VAL A 6 0.846 -2.499 -10.069 1.00 0.00 C ATOM 92 O VAL A 6 -0.107 -2.010 -9.509 1.00 0.00 O ATOM 93 CB VAL A 6 0.287 -4.917 -9.726 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.013 -5.290 -11.187 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.734 -6.166 -8.972 1.00 0.00 C ATOM 0 H VAL A 6 1.234 -3.756 -7.537 1.00 0.00 H new ATOM 0 HA VAL A 6 2.179 -4.189 -10.352 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.617 -4.515 -9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.775 -6.042 -11.229 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.302 -4.403 -11.736 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.921 -5.691 -11.636 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.055 -6.917 -9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.638 -6.565 -9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.938 -5.910 -7.932 1.00 0.00 H new ATOM 105 N SER A 7 1.481 -1.868 -11.006 1.00 0.00 N ATOM 106 CA SER A 7 1.047 -0.513 -11.413 1.00 0.00 C ATOM 107 C SER A 7 -0.214 -0.569 -12.266 1.00 0.00 C ATOM 108 O SER A 7 -0.770 -1.615 -12.538 1.00 0.00 O ATOM 109 CB SER A 7 2.163 0.160 -12.207 1.00 0.00 C ATOM 110 OG SER A 7 2.134 -0.306 -13.545 1.00 0.00 O ATOM 0 H SER A 7 2.288 -2.235 -11.511 1.00 0.00 H new ATOM 0 HA SER A 7 0.827 0.059 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.039 1.243 -12.184 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.130 -0.060 -11.754 1.00 0.00 H new ATOM 0 HG SER A 7 1.898 -1.257 -13.555 1.00 0.00 H new ATOM 116 N HIS A 8 -0.648 0.578 -12.686 1.00 0.00 N ATOM 117 CA HIS A 8 -1.866 0.672 -13.534 1.00 0.00 C ATOM 118 C HIS A 8 -1.474 0.296 -14.964 1.00 0.00 C ATOM 119 O HIS A 8 -2.153 -0.456 -15.631 1.00 0.00 O ATOM 120 CB HIS A 8 -2.449 2.114 -13.485 1.00 0.00 C ATOM 121 CG HIS A 8 -1.453 3.071 -12.882 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.823 2.821 -11.671 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.974 4.288 -13.305 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.010 3.862 -11.410 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.066 4.780 -12.380 1.00 0.00 N ATOM 0 H HIS A 8 -0.205 1.472 -12.476 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.636 -0.007 -13.168 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.711 2.440 -14.492 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.368 2.120 -12.899 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.261 4.786 -14.219 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.609 3.945 -10.529 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.451 5.658 -12.429 1.00 0.00 H new ATOM 134 N ASP A 9 -0.379 0.821 -15.425 1.00 0.00 N ATOM 135 CA ASP A 9 0.064 0.503 -16.806 1.00 0.00 C ATOM 136 C ASP A 9 0.357 -0.999 -16.915 1.00 0.00 C ATOM 137 O ASP A 9 0.633 -1.506 -17.983 1.00 0.00 O ATOM 138 CB ASP A 9 1.328 1.314 -17.147 1.00 0.00 C ATOM 139 CG ASP A 9 2.179 1.497 -15.886 1.00 0.00 C ATOM 140 OD1 ASP A 9 1.655 2.005 -14.911 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.343 1.131 -15.921 1.00 0.00 O ATOM 0 H ASP A 9 0.228 1.456 -14.907 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.725 0.766 -17.511 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.905 0.800 -17.916 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.049 2.286 -17.554 1.00 0.00 H new ATOM 146 N GLY A 10 0.287 -1.720 -15.817 1.00 0.00 N ATOM 147 CA GLY A 10 0.552 -3.194 -15.868 1.00 0.00 C ATOM 148 C GLY A 10 2.005 -3.481 -15.476 1.00 0.00 C ATOM 149 O GLY A 10 2.374 -4.610 -15.223 1.00 0.00 O ATOM 0 H GLY A 10 0.059 -1.352 -14.893 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.125 -3.717 -15.193 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.356 -3.572 -16.871 1.00 0.00 H new ATOM 153 N THR A 11 2.834 -2.476 -15.426 1.00 0.00 N ATOM 154 CA THR A 11 4.257 -2.717 -15.064 1.00 0.00 C ATOM 155 C THR A 11 4.344 -3.113 -13.577 1.00 0.00 C ATOM 156 O THR A 11 3.748 -2.498 -12.717 1.00 0.00 O ATOM 157 CB THR A 11 5.107 -1.466 -15.384 1.00 0.00 C ATOM 158 OG1 THR A 11 6.341 -1.879 -15.945 1.00 0.00 O ATOM 159 CG2 THR A 11 5.393 -0.624 -14.125 1.00 0.00 C ATOM 0 H THR A 11 2.590 -1.505 -15.619 1.00 0.00 H new ATOM 0 HA THR A 11 4.660 -3.539 -15.656 1.00 0.00 H new ATOM 0 HB THR A 11 4.543 -0.849 -16.083 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.886 -1.091 -16.153 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.993 0.245 -14.397 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.451 -0.292 -13.688 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.937 -1.228 -13.399 1.00 0.00 H new ATOM 167 N ARG A 12 5.072 -4.158 -13.299 1.00 0.00 N ATOM 168 CA ARG A 12 5.209 -4.654 -11.888 1.00 0.00 C ATOM 169 C ARG A 12 6.609 -4.318 -11.332 1.00 0.00 C ATOM 170 O ARG A 12 7.606 -4.450 -12.009 1.00 0.00 O ATOM 171 CB ARG A 12 4.984 -6.187 -11.855 1.00 0.00 C ATOM 172 CG ARG A 12 4.151 -6.642 -13.079 1.00 0.00 C ATOM 173 CD ARG A 12 5.043 -6.908 -14.314 1.00 0.00 C ATOM 174 NE ARG A 12 4.562 -8.156 -14.977 1.00 0.00 N ATOM 175 CZ ARG A 12 3.593 -8.112 -15.862 1.00 0.00 C ATOM 176 NH1 ARG A 12 3.134 -6.969 -16.297 1.00 0.00 N ATOM 177 NH2 ARG A 12 3.108 -9.222 -16.339 1.00 0.00 N ATOM 0 H ARG A 12 5.586 -4.700 -13.993 1.00 0.00 H new ATOM 0 HA ARG A 12 4.461 -4.162 -11.266 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.945 -6.701 -11.851 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.470 -6.465 -10.935 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.600 -7.548 -12.827 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.413 -5.877 -13.321 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.995 -6.067 -15.006 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.085 -7.014 -14.014 1.00 0.00 H new ATOM 0 HE ARG A 12 4.990 -9.051 -14.740 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.529 -6.095 -15.949 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.381 -6.950 -16.985 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.481 -10.118 -16.025 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.355 -9.196 -17.027 1.00 0.00 H new ATOM 191 N ARG A 13 6.686 -3.897 -10.086 1.00 0.00 N ATOM 192 CA ARG A 13 7.999 -3.564 -9.454 1.00 0.00 C ATOM 193 C ARG A 13 7.997 -4.169 -8.060 1.00 0.00 C ATOM 194 O ARG A 13 7.019 -4.057 -7.341 1.00 0.00 O ATOM 195 CB ARG A 13 8.148 -2.046 -9.336 1.00 0.00 C ATOM 196 CG ARG A 13 9.605 -1.690 -9.015 1.00 0.00 C ATOM 197 CD ARG A 13 9.745 -0.169 -8.826 1.00 0.00 C ATOM 198 NE ARG A 13 10.093 0.491 -10.126 1.00 0.00 N ATOM 199 CZ ARG A 13 9.180 1.133 -10.832 1.00 0.00 C ATOM 200 NH1 ARG A 13 7.918 1.108 -10.486 1.00 0.00 N ATOM 201 NH2 ARG A 13 9.531 1.809 -11.884 1.00 0.00 N ATOM 0 H ARG A 13 5.879 -3.770 -9.476 1.00 0.00 H new ATOM 0 HA ARG A 13 8.821 -3.954 -10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.844 -1.568 -10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.491 -1.667 -8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.924 -2.208 -8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.256 -2.026 -9.822 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.812 0.243 -8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.517 0.042 -8.086 1.00 0.00 H new ATOM 0 HE ARG A 13 11.052 0.443 -10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.626 0.587 -9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.226 1.610 -11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.511 1.844 -12.164 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.827 2.305 -12.430 1.00 0.00 H new ATOM 215 N GLU A 14 9.050 -4.842 -7.671 1.00 0.00 N ATOM 216 CA GLU A 14 9.078 -5.498 -6.320 1.00 0.00 C ATOM 217 C GLU A 14 10.237 -4.958 -5.456 1.00 0.00 C ATOM 218 O GLU A 14 11.337 -4.765 -5.930 1.00 0.00 O ATOM 219 CB GLU A 14 9.237 -7.037 -6.496 1.00 0.00 C ATOM 220 CG GLU A 14 9.004 -7.428 -7.959 1.00 0.00 C ATOM 221 CD GLU A 14 8.845 -8.946 -8.067 1.00 0.00 C ATOM 222 OE1 GLU A 14 8.431 -9.552 -7.090 1.00 0.00 O ATOM 223 OE2 GLU A 14 9.142 -9.478 -9.123 1.00 0.00 O ATOM 0 H GLU A 14 9.895 -4.968 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 14 8.141 -5.271 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.235 -7.345 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.527 -7.559 -5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.112 -6.931 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.842 -7.096 -8.572 1.00 0.00 H new ATOM 230 N LEU A 15 9.996 -4.740 -4.172 1.00 0.00 N ATOM 231 CA LEU A 15 11.082 -4.244 -3.247 1.00 0.00 C ATOM 232 C LEU A 15 11.167 -5.148 -2.027 1.00 0.00 C ATOM 233 O LEU A 15 10.344 -6.011 -1.800 1.00 0.00 O ATOM 234 CB LEU A 15 10.789 -2.819 -2.681 1.00 0.00 C ATOM 235 CG LEU A 15 9.658 -2.151 -3.409 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.295 -0.873 -2.630 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.089 -1.786 -4.848 1.00 0.00 C ATOM 0 H LEU A 15 9.090 -4.885 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 15 11.996 -4.233 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.546 -2.892 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.686 -2.205 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 15 8.800 -2.820 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.474 -0.361 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.991 -1.138 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.162 -0.214 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.260 -1.302 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.940 -1.106 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.372 -2.692 -5.384 1.00 0.00 H new ATOM 249 N ASP A 16 12.137 -4.869 -1.205 1.00 0.00 N ATOM 250 CA ASP A 16 12.304 -5.590 0.064 1.00 0.00 C ATOM 251 C ASP A 16 11.960 -4.579 1.157 1.00 0.00 C ATOM 252 O ASP A 16 12.642 -3.587 1.324 1.00 0.00 O ATOM 253 CB ASP A 16 13.764 -6.034 0.211 1.00 0.00 C ATOM 254 CG ASP A 16 13.988 -7.354 -0.524 1.00 0.00 C ATOM 255 OD1 ASP A 16 13.729 -8.390 0.062 1.00 0.00 O ATOM 256 OD2 ASP A 16 14.418 -7.309 -1.662 1.00 0.00 O ATOM 0 H ASP A 16 12.837 -4.147 -1.375 1.00 0.00 H new ATOM 0 HA ASP A 16 11.673 -6.477 0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.427 -5.268 -0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.013 -6.150 1.266 1.00 0.00 H new ATOM 261 N VAL A 17 10.931 -4.821 1.931 1.00 0.00 N ATOM 262 CA VAL A 17 10.558 -3.872 3.042 1.00 0.00 C ATOM 263 C VAL A 17 10.829 -4.598 4.368 1.00 0.00 C ATOM 264 O VAL A 17 10.330 -5.681 4.604 1.00 0.00 O ATOM 265 CB VAL A 17 9.060 -3.493 2.896 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.739 -2.106 3.526 1.00 0.00 C ATOM 267 CG2 VAL A 17 8.744 -3.454 1.394 1.00 0.00 C ATOM 0 H VAL A 17 10.326 -5.638 1.846 1.00 0.00 H new ATOM 0 HA VAL A 17 11.139 -2.951 3.007 1.00 0.00 H new ATOM 0 HB VAL A 17 8.453 -4.230 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.679 -1.885 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.981 -2.124 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.332 -1.336 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.696 -3.190 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.376 -2.710 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.935 -4.434 0.956 1.00 0.00 H new ATOM 277 N ALA A 18 11.652 -4.035 5.205 1.00 0.00 N ATOM 278 CA ALA A 18 11.994 -4.724 6.486 1.00 0.00 C ATOM 279 C ALA A 18 10.767 -4.822 7.398 1.00 0.00 C ATOM 280 O ALA A 18 9.793 -4.118 7.243 1.00 0.00 O ATOM 281 CB ALA A 18 13.131 -3.964 7.198 1.00 0.00 C ATOM 0 H ALA A 18 12.103 -3.131 5.062 1.00 0.00 H new ATOM 0 HA ALA A 18 12.327 -5.737 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.378 -4.469 8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.011 -3.940 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.809 -2.945 7.411 1.00 0.00 H new ATOM 287 N ASP A 19 10.829 -5.712 8.345 1.00 0.00 N ATOM 288 CA ASP A 19 9.702 -5.898 9.287 1.00 0.00 C ATOM 289 C ASP A 19 9.409 -4.585 9.997 1.00 0.00 C ATOM 290 O ASP A 19 10.294 -3.854 10.394 1.00 0.00 O ATOM 291 CB ASP A 19 10.070 -6.973 10.306 1.00 0.00 C ATOM 292 CG ASP A 19 11.448 -6.673 10.900 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.431 -6.983 10.247 1.00 0.00 O ATOM 294 OD2 ASP A 19 11.494 -6.138 11.996 1.00 0.00 O ATOM 0 H ASP A 19 11.627 -6.327 8.506 1.00 0.00 H new ATOM 0 HA ASP A 19 8.813 -6.210 8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.322 -7.008 11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.075 -7.953 9.829 1.00 0.00 H new ATOM 299 N GLY A 20 8.158 -4.305 10.180 1.00 0.00 N ATOM 300 CA GLY A 20 7.762 -3.056 10.884 1.00 0.00 C ATOM 301 C GLY A 20 7.878 -1.845 9.953 1.00 0.00 C ATOM 302 O GLY A 20 7.598 -0.735 10.368 1.00 0.00 O ATOM 0 H GLY A 20 7.382 -4.890 9.871 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.737 -3.146 11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.396 -2.910 11.759 1.00 0.00 H new ATOM 306 N VAL A 21 8.284 -2.012 8.720 1.00 0.00 N ATOM 307 CA VAL A 21 8.399 -0.827 7.814 1.00 0.00 C ATOM 308 C VAL A 21 7.086 -0.657 7.053 1.00 0.00 C ATOM 309 O VAL A 21 6.375 -1.612 6.810 1.00 0.00 O ATOM 310 CB VAL A 21 9.514 -1.058 6.790 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.692 0.191 5.921 1.00 0.00 C ATOM 312 CG2 VAL A 21 10.831 -1.387 7.491 1.00 0.00 C ATOM 0 H VAL A 21 8.539 -2.908 8.304 1.00 0.00 H new ATOM 0 HA VAL A 21 8.621 0.057 8.411 1.00 0.00 H new ATOM 0 HB VAL A 21 9.233 -1.902 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.487 0.019 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.761 0.405 5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.955 1.039 6.553 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.610 -1.547 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.115 -0.558 8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.709 -2.290 8.089 1.00 0.00 H new ATOM 322 N SER A 22 6.751 0.546 6.679 1.00 0.00 N ATOM 323 CA SER A 22 5.477 0.763 5.940 1.00 0.00 C ATOM 324 C SER A 22 5.738 0.674 4.434 1.00 0.00 C ATOM 325 O SER A 22 6.720 1.186 3.933 1.00 0.00 O ATOM 326 CB SER A 22 4.927 2.150 6.271 1.00 0.00 C ATOM 327 OG SER A 22 5.980 3.104 6.191 1.00 0.00 O ATOM 0 H SER A 22 7.303 1.386 6.853 1.00 0.00 H new ATOM 0 HA SER A 22 4.755 0.001 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.129 2.413 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.493 2.153 7.271 1.00 0.00 H new ATOM 0 HG SER A 22 6.565 3.012 6.972 1.00 0.00 H new ATOM 333 N LEU A 23 4.859 0.040 3.702 1.00 0.00 N ATOM 334 CA LEU A 23 5.047 -0.068 2.227 1.00 0.00 C ATOM 335 C LEU A 23 5.408 1.310 1.673 1.00 0.00 C ATOM 336 O LEU A 23 6.085 1.439 0.674 1.00 0.00 O ATOM 337 CB LEU A 23 3.739 -0.546 1.591 1.00 0.00 C ATOM 338 CG LEU A 23 3.576 -2.065 1.782 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.116 -2.459 1.553 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.449 -2.833 0.777 1.00 0.00 C ATOM 0 H LEU A 23 4.017 -0.408 4.064 1.00 0.00 H new ATOM 0 HA LEU A 23 5.844 -0.776 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.895 -0.023 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.733 -0.304 0.528 1.00 0.00 H new ATOM 0 HG LEU A 23 3.883 -2.316 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.004 -3.535 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.481 -1.935 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.821 -2.189 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.320 -3.905 0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.151 -2.571 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.496 -2.569 0.928 1.00 0.00 H new ATOM 352 N MET A 24 4.963 2.336 2.333 1.00 0.00 N ATOM 353 CA MET A 24 5.273 3.712 1.877 1.00 0.00 C ATOM 354 C MET A 24 6.763 3.978 2.109 1.00 0.00 C ATOM 355 O MET A 24 7.429 4.592 1.302 1.00 0.00 O ATOM 356 CB MET A 24 4.420 4.693 2.695 1.00 0.00 C ATOM 357 CG MET A 24 5.053 6.091 2.698 1.00 0.00 C ATOM 358 SD MET A 24 3.841 7.311 3.264 1.00 0.00 S ATOM 359 CE MET A 24 4.941 8.748 3.205 1.00 0.00 C ATOM 0 H MET A 24 4.393 2.279 3.177 1.00 0.00 H new ATOM 0 HA MET A 24 5.050 3.836 0.817 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.415 4.745 2.277 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.321 4.331 3.718 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.927 6.103 3.350 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.399 6.346 1.696 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.349 9.654 3.079 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.507 8.811 4.134 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.630 8.645 2.367 1.00 0.00 H new ATOM 369 N GLN A 25 7.283 3.525 3.220 1.00 0.00 N ATOM 370 CA GLN A 25 8.722 3.758 3.507 1.00 0.00 C ATOM 371 C GLN A 25 9.566 3.156 2.374 1.00 0.00 C ATOM 372 O GLN A 25 10.369 3.838 1.770 1.00 0.00 O ATOM 373 CB GLN A 25 9.081 3.112 4.868 1.00 0.00 C ATOM 374 CG GLN A 25 9.261 4.190 5.947 1.00 0.00 C ATOM 375 CD GLN A 25 9.247 3.536 7.331 1.00 0.00 C ATOM 376 OE1 GLN A 25 8.200 3.200 7.847 1.00 0.00 O ATOM 377 NE2 GLN A 25 10.375 3.341 7.959 1.00 0.00 N ATOM 0 H GLN A 25 6.773 3.007 3.935 1.00 0.00 H new ATOM 0 HA GLN A 25 8.929 4.827 3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.295 2.419 5.166 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.998 2.531 4.770 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.201 4.720 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.463 4.929 5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.255 3.623 7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.376 2.907 8.882 1.00 0.00 H new ATOM 386 N ALA A 26 9.409 1.890 2.080 1.00 0.00 N ATOM 387 CA ALA A 26 10.239 1.292 0.977 1.00 0.00 C ATOM 388 C ALA A 26 9.906 1.909 -0.381 1.00 0.00 C ATOM 389 O ALA A 26 10.757 1.971 -1.252 1.00 0.00 O ATOM 390 CB ALA A 26 10.003 -0.216 0.917 1.00 0.00 C ATOM 0 H ALA A 26 8.759 1.253 2.541 1.00 0.00 H new ATOM 0 HA ALA A 26 11.285 1.503 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.605 -0.647 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.287 -0.667 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.948 -0.412 0.723 1.00 0.00 H new ATOM 396 N ALA A 27 8.704 2.371 -0.612 1.00 0.00 N ATOM 397 CA ALA A 27 8.386 2.973 -1.936 1.00 0.00 C ATOM 398 C ALA A 27 9.164 4.287 -2.122 1.00 0.00 C ATOM 399 O ALA A 27 9.907 4.440 -3.076 1.00 0.00 O ATOM 400 CB ALA A 27 6.887 3.260 -2.004 1.00 0.00 C ATOM 0 H ALA A 27 7.934 2.357 0.057 1.00 0.00 H new ATOM 0 HA ALA A 27 8.672 2.278 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.645 3.701 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.332 2.330 -1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.613 3.954 -1.209 1.00 0.00 H new ATOM 406 N VAL A 28 8.995 5.241 -1.238 1.00 0.00 N ATOM 407 CA VAL A 28 9.720 6.544 -1.392 1.00 0.00 C ATOM 408 C VAL A 28 11.204 6.289 -1.677 1.00 0.00 C ATOM 409 O VAL A 28 11.896 7.139 -2.202 1.00 0.00 O ATOM 410 CB VAL A 28 9.600 7.357 -0.082 1.00 0.00 C ATOM 411 CG1 VAL A 28 10.588 8.533 -0.093 1.00 0.00 C ATOM 412 CG2 VAL A 28 8.179 7.909 0.050 1.00 0.00 C ATOM 0 H VAL A 28 8.389 5.175 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 28 9.278 7.097 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 28 9.827 6.700 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.493 9.097 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.605 8.153 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.368 9.185 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.096 8.482 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.960 8.556 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.468 7.083 0.070 1.00 0.00 H new ATOM 422 N SER A 29 11.705 5.147 -1.310 1.00 0.00 N ATOM 423 CA SER A 29 13.156 4.847 -1.522 1.00 0.00 C ATOM 424 C SER A 29 13.359 4.131 -2.849 1.00 0.00 C ATOM 425 O SER A 29 14.439 4.140 -3.409 1.00 0.00 O ATOM 426 CB SER A 29 13.617 3.945 -0.380 1.00 0.00 C ATOM 427 OG SER A 29 14.167 2.733 -0.881 1.00 0.00 O ATOM 0 H SER A 29 11.172 4.398 -0.868 1.00 0.00 H new ATOM 0 HA SER A 29 13.730 5.773 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.362 4.466 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.775 3.723 0.276 1.00 0.00 H new ATOM 0 HG SER A 29 14.457 2.171 -0.132 1.00 0.00 H new ATOM 433 N ASN A 30 12.330 3.521 -3.376 1.00 0.00 N ATOM 434 CA ASN A 30 12.458 2.819 -4.675 1.00 0.00 C ATOM 435 C ASN A 30 11.874 3.702 -5.775 1.00 0.00 C ATOM 436 O ASN A 30 11.724 3.276 -6.904 1.00 0.00 O ATOM 437 CB ASN A 30 11.686 1.509 -4.610 1.00 0.00 C ATOM 438 CG ASN A 30 12.467 0.499 -3.765 1.00 0.00 C ATOM 439 OD1 ASN A 30 12.969 -0.481 -4.288 1.00 0.00 O ATOM 440 ND2 ASN A 30 12.590 0.696 -2.487 1.00 0.00 N ATOM 0 H ASN A 30 11.402 3.482 -2.955 1.00 0.00 H new ATOM 0 HA ASN A 30 13.507 2.613 -4.888 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.700 1.677 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.530 1.116 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.109 0.029 -1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.168 1.518 -2.055 1.00 0.00 H new ATOM 447 N GLY A 31 11.609 4.952 -5.488 1.00 0.00 N ATOM 448 CA GLY A 31 11.109 5.866 -6.566 1.00 0.00 C ATOM 449 C GLY A 31 9.681 5.496 -6.981 1.00 0.00 C ATOM 450 O GLY A 31 9.343 5.574 -8.152 1.00 0.00 O ATOM 0 H GLY A 31 11.715 5.377 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.133 6.897 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.769 5.809 -7.431 1.00 0.00 H new ATOM 454 N ILE A 32 8.858 5.055 -6.071 1.00 0.00 N ATOM 455 CA ILE A 32 7.462 4.638 -6.439 1.00 0.00 C ATOM 456 C ILE A 32 6.417 5.512 -5.776 1.00 0.00 C ATOM 457 O ILE A 32 5.325 5.687 -6.279 1.00 0.00 O ATOM 458 CB ILE A 32 7.269 3.192 -6.004 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.455 2.370 -6.483 1.00 0.00 C ATOM 460 CG2 ILE A 32 5.997 2.619 -6.614 1.00 0.00 C ATOM 461 CD1 ILE A 32 8.374 0.992 -5.864 1.00 0.00 C ATOM 0 H ILE A 32 9.087 4.962 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 32 7.337 4.744 -7.517 1.00 0.00 H new ATOM 0 HB ILE A 32 7.191 3.156 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.449 2.296 -7.570 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.389 2.856 -6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.874 1.585 -6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.139 3.206 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.066 2.656 -7.701 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.220 0.392 -6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.399 1.079 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.444 0.511 -6.168 1.00 0.00 H new ATOM 473 N TYR A 33 6.707 6.002 -4.618 1.00 0.00 N ATOM 474 CA TYR A 33 5.694 6.793 -3.885 1.00 0.00 C ATOM 475 C TYR A 33 5.306 8.085 -4.615 1.00 0.00 C ATOM 476 O TYR A 33 4.655 8.919 -4.023 1.00 0.00 O ATOM 477 CB TYR A 33 6.229 7.090 -2.475 1.00 0.00 C ATOM 478 CG TYR A 33 5.129 6.922 -1.442 1.00 0.00 C ATOM 479 CD1 TYR A 33 4.478 5.687 -1.315 1.00 0.00 C ATOM 480 CD2 TYR A 33 4.763 7.995 -0.624 1.00 0.00 C ATOM 481 CE1 TYR A 33 3.464 5.526 -0.363 1.00 0.00 C ATOM 482 CE2 TYR A 33 3.749 7.833 0.321 1.00 0.00 C ATOM 483 CZ TYR A 33 3.098 6.601 0.449 1.00 0.00 C ATOM 484 OH TYR A 33 2.096 6.446 1.385 1.00 0.00 O ATOM 0 H TYR A 33 7.603 5.891 -4.143 1.00 0.00 H new ATOM 0 HA TYR A 33 4.778 6.205 -3.822 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.057 6.419 -2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.621 8.106 -2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.758 4.860 -1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.264 8.947 -0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.967 4.573 -0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.466 8.660 0.955 1.00 0.00 H new ATOM 0 HH TYR A 33 2.289 7.005 2.167 1.00 0.00 H new ATOM 494 N ASP A 34 5.720 8.297 -5.847 1.00 0.00 N ATOM 495 CA ASP A 34 5.362 9.573 -6.575 1.00 0.00 C ATOM 496 C ASP A 34 3.831 9.830 -6.563 1.00 0.00 C ATOM 497 O ASP A 34 3.263 10.352 -7.497 1.00 0.00 O ATOM 498 CB ASP A 34 5.840 9.466 -8.021 1.00 0.00 C ATOM 499 CG ASP A 34 5.252 8.206 -8.661 1.00 0.00 C ATOM 500 OD1 ASP A 34 5.864 7.158 -8.536 1.00 0.00 O ATOM 501 OD2 ASP A 34 4.201 8.311 -9.269 1.00 0.00 O ATOM 0 H ASP A 34 6.291 7.644 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 34 5.847 10.406 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.534 10.349 -8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.929 9.429 -8.054 1.00 0.00 H new ATOM 506 N ILE A 35 3.194 9.476 -5.486 1.00 0.00 N ATOM 507 CA ILE A 35 1.729 9.680 -5.325 1.00 0.00 C ATOM 508 C ILE A 35 1.501 10.900 -4.434 1.00 0.00 C ATOM 509 O ILE A 35 0.417 11.124 -3.939 1.00 0.00 O ATOM 510 CB ILE A 35 1.105 8.438 -4.683 1.00 0.00 C ATOM 511 CG1 ILE A 35 1.895 8.052 -3.419 1.00 0.00 C ATOM 512 CG2 ILE A 35 1.132 7.272 -5.683 1.00 0.00 C ATOM 513 CD1 ILE A 35 1.019 7.183 -2.510 1.00 0.00 C ATOM 0 H ILE A 35 3.644 9.038 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 35 1.264 9.843 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 35 0.073 8.656 -4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.800 7.510 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.210 8.949 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.687 6.389 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.565 7.543 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.163 7.056 -5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.580 6.911 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.127 7.740 -2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.726 6.279 -3.043 1.00 0.00 H new ATOM 525 N VAL A 36 2.524 11.686 -4.227 1.00 0.00 N ATOM 526 CA VAL A 36 2.384 12.893 -3.362 1.00 0.00 C ATOM 527 C VAL A 36 1.910 12.475 -1.971 1.00 0.00 C ATOM 528 O VAL A 36 0.734 12.274 -1.737 1.00 0.00 O ATOM 529 CB VAL A 36 1.371 13.857 -3.977 1.00 0.00 C ATOM 530 CG1 VAL A 36 1.476 15.216 -3.288 1.00 0.00 C ATOM 531 CG2 VAL A 36 1.667 14.025 -5.469 1.00 0.00 C ATOM 0 H VAL A 36 3.454 11.543 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 36 3.351 13.390 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 36 0.366 13.457 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.753 15.903 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.268 15.102 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.482 15.614 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.944 14.713 -5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.673 14.425 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.595 13.057 -5.965 1.00 0.00 H new ATOM 541 N GLY A 37 2.816 12.347 -1.039 1.00 0.00 N ATOM 542 CA GLY A 37 2.422 11.947 0.337 1.00 0.00 C ATOM 543 C GLY A 37 2.030 13.193 1.138 1.00 0.00 C ATOM 544 O GLY A 37 2.874 13.925 1.620 1.00 0.00 O ATOM 0 H GLY A 37 3.815 12.503 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.586 11.248 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.247 11.431 0.828 1.00 0.00 H new ATOM 548 N ASP A 38 0.758 13.441 1.281 1.00 0.00 N ATOM 549 CA ASP A 38 0.311 14.641 2.045 1.00 0.00 C ATOM 550 C ASP A 38 0.652 14.471 3.535 1.00 0.00 C ATOM 551 O ASP A 38 1.490 15.170 4.065 1.00 0.00 O ATOM 552 CB ASP A 38 -1.205 14.812 1.883 1.00 0.00 C ATOM 553 CG ASP A 38 -1.510 15.501 0.552 1.00 0.00 C ATOM 554 OD1 ASP A 38 -0.946 15.090 -0.448 1.00 0.00 O ATOM 555 OD2 ASP A 38 -2.304 16.427 0.549 1.00 0.00 O ATOM 0 H ASP A 38 0.007 12.864 0.902 1.00 0.00 H new ATOM 0 HA ASP A 38 0.823 15.523 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.696 13.839 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.604 15.402 2.708 1.00 0.00 H new ATOM 560 N CYS A 39 0.005 13.556 4.211 1.00 0.00 N ATOM 561 CA CYS A 39 0.299 13.371 5.659 1.00 0.00 C ATOM 562 C CYS A 39 1.742 12.891 5.840 1.00 0.00 C ATOM 563 O CYS A 39 2.242 12.802 6.944 1.00 0.00 O ATOM 564 CB CYS A 39 -0.677 12.362 6.284 1.00 0.00 C ATOM 565 SG CYS A 39 -0.206 10.663 5.857 1.00 0.00 S ATOM 0 H CYS A 39 -0.707 12.936 3.825 1.00 0.00 H new ATOM 0 HA CYS A 39 0.175 14.328 6.165 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.686 12.481 7.367 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.689 12.563 5.933 1.00 0.00 H new ATOM 570 N GLY A 40 2.419 12.598 4.764 1.00 0.00 N ATOM 571 CA GLY A 40 3.837 12.145 4.870 1.00 0.00 C ATOM 572 C GLY A 40 3.893 10.731 5.450 1.00 0.00 C ATOM 573 O GLY A 40 4.920 10.290 5.925 1.00 0.00 O ATOM 0 H GLY A 40 2.052 12.652 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.307 12.162 3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.400 12.830 5.505 1.00 0.00 H new ATOM 577 N GLY A 41 2.801 10.015 5.420 1.00 0.00 N ATOM 578 CA GLY A 41 2.796 8.625 5.966 1.00 0.00 C ATOM 579 C GLY A 41 2.361 8.652 7.435 1.00 0.00 C ATOM 580 O GLY A 41 2.647 7.747 8.189 1.00 0.00 O ATOM 0 H GLY A 41 1.909 10.333 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.118 7.998 5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.790 8.185 5.878 1.00 0.00 H new ATOM 584 N SER A 42 1.662 9.681 7.839 1.00 0.00 N ATOM 585 CA SER A 42 1.196 9.771 9.254 1.00 0.00 C ATOM 586 C SER A 42 -0.258 9.302 9.325 1.00 0.00 C ATOM 587 O SER A 42 -0.941 9.505 10.310 1.00 0.00 O ATOM 588 CB SER A 42 1.289 11.224 9.721 1.00 0.00 C ATOM 589 OG SER A 42 0.314 11.458 10.729 1.00 0.00 O ATOM 0 H SER A 42 1.393 10.466 7.246 1.00 0.00 H new ATOM 0 HA SER A 42 1.817 9.144 9.895 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.286 11.430 10.109 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.129 11.899 8.880 1.00 0.00 H new ATOM 0 HG SER A 42 0.094 10.613 11.173 1.00 0.00 H new ATOM 595 N ALA A 43 -0.731 8.671 8.287 1.00 0.00 N ATOM 596 CA ALA A 43 -2.137 8.179 8.275 1.00 0.00 C ATOM 597 C ALA A 43 -3.099 9.352 8.484 1.00 0.00 C ATOM 598 O ALA A 43 -3.840 9.391 9.442 1.00 0.00 O ATOM 599 CB ALA A 43 -2.335 7.153 9.396 1.00 0.00 C ATOM 0 H ALA A 43 -0.199 8.473 7.439 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.342 7.710 7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.365 6.795 9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.657 6.313 9.244 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.124 7.620 10.358 1.00 0.00 H new ATOM 605 N SER A 44 -3.096 10.310 7.592 1.00 0.00 N ATOM 606 CA SER A 44 -4.018 11.478 7.744 1.00 0.00 C ATOM 607 C SER A 44 -4.458 11.977 6.353 1.00 0.00 C ATOM 608 O SER A 44 -5.058 13.026 6.229 1.00 0.00 O ATOM 609 CB SER A 44 -3.296 12.602 8.508 1.00 0.00 C ATOM 610 OG SER A 44 -2.317 12.027 9.364 1.00 0.00 O ATOM 0 H SER A 44 -2.497 10.335 6.767 1.00 0.00 H new ATOM 0 HA SER A 44 -4.903 11.176 8.305 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.825 13.291 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.012 13.181 9.091 1.00 0.00 H new ATOM 0 HG SER A 44 -1.852 12.738 9.853 1.00 0.00 H new ATOM 616 N CYS A 45 -4.164 11.234 5.316 1.00 0.00 N ATOM 617 CA CYS A 45 -4.568 11.666 3.936 1.00 0.00 C ATOM 618 C CYS A 45 -5.100 10.467 3.147 1.00 0.00 C ATOM 619 O CYS A 45 -5.363 9.414 3.693 1.00 0.00 O ATOM 620 CB CYS A 45 -3.367 12.282 3.198 1.00 0.00 C ATOM 621 SG CYS A 45 -2.303 10.986 2.499 1.00 0.00 S ATOM 0 H CYS A 45 -3.662 10.347 5.362 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.354 12.416 4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.721 12.937 2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.790 12.900 3.886 1.00 0.00 H new ATOM 626 N ALA A 46 -5.274 10.631 1.859 1.00 0.00 N ATOM 627 CA ALA A 46 -5.807 9.520 1.005 1.00 0.00 C ATOM 628 C ALA A 46 -4.973 9.401 -0.272 1.00 0.00 C ATOM 629 O ALA A 46 -5.449 8.939 -1.285 1.00 0.00 O ATOM 630 CB ALA A 46 -7.267 9.838 0.660 1.00 0.00 C ATOM 0 H ALA A 46 -5.068 11.494 1.357 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.751 8.571 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.676 9.042 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.849 9.916 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.315 10.783 0.118 1.00 0.00 H new ATOM 636 N THR A 47 -3.732 9.807 -0.232 1.00 0.00 N ATOM 637 CA THR A 47 -2.876 9.708 -1.445 1.00 0.00 C ATOM 638 C THR A 47 -2.328 8.283 -1.572 1.00 0.00 C ATOM 639 O THR A 47 -1.918 7.852 -2.625 1.00 0.00 O ATOM 640 CB THR A 47 -1.711 10.695 -1.340 1.00 0.00 C ATOM 641 OG1 THR A 47 -0.923 10.369 -0.204 1.00 0.00 O ATOM 642 CG2 THR A 47 -2.255 12.118 -1.196 1.00 0.00 C ATOM 0 H THR A 47 -3.276 10.203 0.590 1.00 0.00 H new ATOM 0 HA THR A 47 -3.473 9.948 -2.325 1.00 0.00 H new ATOM 0 HB THR A 47 -1.098 10.634 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.345 10.733 0.602 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.424 12.819 -1.121 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.862 12.366 -2.067 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.867 12.184 -0.297 1.00 0.00 H new ATOM 650 N CYS A 48 -2.316 7.553 -0.486 1.00 0.00 N ATOM 651 CA CYS A 48 -1.795 6.152 -0.515 1.00 0.00 C ATOM 652 C CYS A 48 -2.933 5.165 -0.818 1.00 0.00 C ATOM 653 O CYS A 48 -2.982 4.075 -0.291 1.00 0.00 O ATOM 654 CB CYS A 48 -1.169 5.823 0.836 1.00 0.00 C ATOM 655 SG CYS A 48 -2.318 6.278 2.151 1.00 0.00 S ATOM 0 H CYS A 48 -2.647 7.869 0.426 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.043 6.064 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.936 4.760 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.229 6.362 0.955 1.00 0.00 H new ATOM 660 N HIS A 49 -3.845 5.551 -1.672 1.00 0.00 N ATOM 661 CA HIS A 49 -4.990 4.661 -2.039 1.00 0.00 C ATOM 662 C HIS A 49 -4.472 3.509 -2.915 1.00 0.00 C ATOM 663 O HIS A 49 -4.121 3.713 -4.053 1.00 0.00 O ATOM 664 CB HIS A 49 -5.988 5.522 -2.829 1.00 0.00 C ATOM 665 CG HIS A 49 -7.009 4.701 -3.591 1.00 0.00 C ATOM 666 ND1 HIS A 49 -7.915 3.835 -2.982 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.308 4.666 -4.928 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.707 3.327 -3.964 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.372 3.805 -5.149 1.00 0.00 N ATOM 0 H HIS A 49 -3.846 6.458 -2.138 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.467 4.234 -1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.507 6.189 -2.141 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.440 6.151 -3.530 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.973 3.622 -1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.792 5.225 -5.695 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.508 2.622 -3.796 1.00 0.00 H new ATOM 678 N VAL A 50 -4.434 2.293 -2.411 1.00 0.00 N ATOM 679 CA VAL A 50 -3.949 1.152 -3.253 1.00 0.00 C ATOM 680 C VAL A 50 -4.771 -0.083 -2.922 1.00 0.00 C ATOM 681 O VAL A 50 -5.639 -0.049 -2.073 1.00 0.00 O ATOM 682 CB VAL A 50 -2.440 0.877 -3.027 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.720 2.186 -2.701 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.228 -0.120 -1.869 1.00 0.00 C ATOM 0 H VAL A 50 -4.715 2.046 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.073 1.412 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.032 0.445 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.660 1.988 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.839 2.883 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.147 2.621 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.161 -0.296 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.649 0.292 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.724 -1.062 -2.104 1.00 0.00 H new ATOM 694 N TYR A 51 -4.520 -1.166 -3.607 1.00 0.00 N ATOM 695 CA TYR A 51 -5.291 -2.409 -3.375 1.00 0.00 C ATOM 696 C TYR A 51 -4.334 -3.557 -3.007 1.00 0.00 C ATOM 697 O TYR A 51 -3.513 -3.996 -3.787 1.00 0.00 O ATOM 698 CB TYR A 51 -6.038 -2.694 -4.664 1.00 0.00 C ATOM 699 CG TYR A 51 -6.988 -1.546 -4.935 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.259 -1.483 -4.331 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.588 -0.522 -5.798 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.107 -0.407 -4.611 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.437 0.540 -6.057 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.688 0.601 -5.478 1.00 0.00 C ATOM 705 OH TYR A 51 -9.514 1.651 -5.790 1.00 0.00 O ATOM 0 H TYR A 51 -3.801 -1.237 -4.327 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.992 -2.307 -2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.337 -2.808 -5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.590 -3.631 -4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.577 -2.262 -3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.614 -0.559 -6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.085 -0.357 -4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.117 1.330 -6.720 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.973 2.435 -6.022 1.00 0.00 H new ATOM 715 N VAL A 52 -4.472 -4.035 -1.801 1.00 0.00 N ATOM 716 CA VAL A 52 -3.623 -5.160 -1.306 1.00 0.00 C ATOM 717 C VAL A 52 -4.285 -6.482 -1.686 1.00 0.00 C ATOM 718 O VAL A 52 -5.452 -6.693 -1.424 1.00 0.00 O ATOM 719 CB VAL A 52 -3.498 -5.101 0.220 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.728 -6.324 0.726 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.765 -3.819 0.640 1.00 0.00 C ATOM 0 H VAL A 52 -5.150 -3.687 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.632 -5.080 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.497 -5.099 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.642 -6.276 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.261 -7.232 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.732 -6.335 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.682 -3.787 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.768 -3.809 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.324 -2.950 0.293 1.00 0.00 H new ATOM 731 N ASN A 53 -3.563 -7.384 -2.295 1.00 0.00 N ATOM 732 CA ASN A 53 -4.191 -8.683 -2.659 1.00 0.00 C ATOM 733 C ASN A 53 -4.887 -9.258 -1.417 1.00 0.00 C ATOM 734 O ASN A 53 -4.290 -9.408 -0.380 1.00 0.00 O ATOM 735 CB ASN A 53 -3.119 -9.646 -3.178 1.00 0.00 C ATOM 736 CG ASN A 53 -3.630 -11.092 -3.171 1.00 0.00 C ATOM 737 OD1 ASN A 53 -4.808 -11.333 -3.001 1.00 0.00 O ATOM 738 ND2 ASN A 53 -2.782 -12.067 -3.355 1.00 0.00 N ATOM 0 H ASN A 53 -2.581 -7.279 -2.552 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.929 -8.539 -3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.830 -9.363 -4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.225 -9.569 -2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.108 -13.033 -3.356 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.793 -11.863 -3.498 1.00 0.00 H new ATOM 745 N GLU A 54 -6.154 -9.539 -1.530 1.00 0.00 N ATOM 746 CA GLU A 54 -6.931 -10.075 -0.371 1.00 0.00 C ATOM 747 C GLU A 54 -6.176 -11.215 0.325 1.00 0.00 C ATOM 748 O GLU A 54 -6.622 -11.720 1.338 1.00 0.00 O ATOM 749 CB GLU A 54 -8.270 -10.610 -0.882 1.00 0.00 C ATOM 750 CG GLU A 54 -8.027 -11.495 -2.110 1.00 0.00 C ATOM 751 CD GLU A 54 -9.345 -12.127 -2.563 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.086 -12.581 -1.707 1.00 0.00 O ATOM 753 OE2 GLU A 54 -9.592 -12.147 -3.760 1.00 0.00 O ATOM 0 H GLU A 54 -6.694 -9.419 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.081 -9.270 0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.768 -11.183 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.930 -9.782 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.601 -10.901 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.303 -12.274 -1.871 1.00 0.00 H new ATOM 760 N ALA A 55 -5.060 -11.648 -0.191 1.00 0.00 N ATOM 761 CA ALA A 55 -4.323 -12.776 0.451 1.00 0.00 C ATOM 762 C ALA A 55 -3.405 -12.285 1.583 1.00 0.00 C ATOM 763 O ALA A 55 -2.984 -13.070 2.404 1.00 0.00 O ATOM 764 CB ALA A 55 -3.483 -13.499 -0.599 1.00 0.00 C ATOM 0 H ALA A 55 -4.624 -11.269 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.060 -13.454 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.945 -14.323 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.135 -13.889 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.769 -12.802 -1.037 1.00 0.00 H new ATOM 770 N PHE A 56 -3.078 -11.014 1.654 1.00 0.00 N ATOM 771 CA PHE A 56 -2.181 -10.504 2.748 1.00 0.00 C ATOM 772 C PHE A 56 -2.986 -9.528 3.612 1.00 0.00 C ATOM 773 O PHE A 56 -2.531 -9.050 4.628 1.00 0.00 O ATOM 774 CB PHE A 56 -1.002 -9.805 2.075 1.00 0.00 C ATOM 775 CG PHE A 56 -0.154 -10.875 1.424 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.537 -11.432 0.200 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.991 -11.339 2.068 1.00 0.00 C ATOM 778 CE1 PHE A 56 0.234 -12.451 -0.376 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.765 -12.347 1.497 1.00 0.00 C ATOM 780 CZ PHE A 56 1.385 -12.910 0.276 1.00 0.00 C ATOM 0 H PHE A 56 -3.396 -10.302 0.997 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.810 -11.305 3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.353 -9.089 1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.419 -9.245 2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.426 -11.078 -0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.281 -10.914 3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.059 -12.882 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.657 -12.693 1.997 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.978 -13.698 -0.164 1.00 0.00 H new ATOM 790 N THR A 57 -4.197 -9.257 3.197 1.00 0.00 N ATOM 791 CA THR A 57 -5.084 -8.332 3.972 1.00 0.00 C ATOM 792 C THR A 57 -5.510 -8.988 5.282 1.00 0.00 C ATOM 793 O THR A 57 -5.521 -8.362 6.328 1.00 0.00 O ATOM 794 CB THR A 57 -6.356 -8.032 3.163 1.00 0.00 C ATOM 795 OG1 THR A 57 -6.899 -9.249 2.670 1.00 0.00 O ATOM 796 CG2 THR A 57 -6.042 -7.107 1.991 1.00 0.00 C ATOM 0 H THR A 57 -4.614 -9.639 2.348 1.00 0.00 H new ATOM 0 HA THR A 57 -4.530 -7.415 4.171 1.00 0.00 H new ATOM 0 HB THR A 57 -7.077 -7.539 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.843 -9.117 2.442 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.955 -6.907 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.634 -6.169 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.312 -7.584 1.337 1.00 0.00 H new ATOM 804 N ASP A 58 -5.878 -10.240 5.242 1.00 0.00 N ATOM 805 CA ASP A 58 -6.318 -10.927 6.485 1.00 0.00 C ATOM 806 C ASP A 58 -5.098 -11.395 7.260 1.00 0.00 C ATOM 807 O ASP A 58 -5.196 -11.954 8.330 1.00 0.00 O ATOM 808 CB ASP A 58 -7.195 -12.132 6.131 1.00 0.00 C ATOM 809 CG ASP A 58 -6.351 -13.180 5.398 1.00 0.00 C ATOM 810 OD1 ASP A 58 -6.012 -12.943 4.249 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.058 -14.200 5.997 1.00 0.00 O ATOM 0 H ASP A 58 -5.892 -10.816 4.400 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.895 -10.233 7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.623 -12.562 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.029 -11.817 5.503 1.00 0.00 H new ATOM 816 N LYS A 59 -3.943 -11.164 6.706 1.00 0.00 N ATOM 817 CA LYS A 59 -2.687 -11.578 7.377 1.00 0.00 C ATOM 818 C LYS A 59 -2.040 -10.348 8.018 1.00 0.00 C ATOM 819 O LYS A 59 -1.642 -10.371 9.166 1.00 0.00 O ATOM 820 CB LYS A 59 -1.757 -12.185 6.335 1.00 0.00 C ATOM 821 CG LYS A 59 -2.541 -13.176 5.455 1.00 0.00 C ATOM 822 CD LYS A 59 -1.563 -14.144 4.754 1.00 0.00 C ATOM 823 CE LYS A 59 -1.171 -15.299 5.700 1.00 0.00 C ATOM 824 NZ LYS A 59 -2.131 -16.424 5.526 1.00 0.00 N ATOM 0 H LYS A 59 -3.817 -10.700 5.806 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.888 -12.317 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.325 -11.398 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.929 -12.696 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.247 -13.738 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.124 -12.633 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.025 -14.546 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.670 -13.604 4.441 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.157 -15.634 5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.179 -14.956 6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.870 -17.204 6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.092 -16.098 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.102 -16.756 4.541 1.00 0.00 H new ATOM 838 N VAL A 60 -1.942 -9.270 7.291 1.00 0.00 N ATOM 839 CA VAL A 60 -1.329 -8.040 7.880 1.00 0.00 C ATOM 840 C VAL A 60 -2.346 -7.493 8.911 1.00 0.00 C ATOM 841 O VAL A 60 -3.527 -7.761 8.814 1.00 0.00 O ATOM 842 CB VAL A 60 -0.985 -7.033 6.717 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.779 -5.713 6.828 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.552 -6.728 6.640 1.00 0.00 C ATOM 0 H VAL A 60 -2.255 -9.184 6.324 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.388 -8.228 8.396 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.285 -7.531 5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.506 -5.054 6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.847 -5.926 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.545 -5.226 7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.744 -6.030 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.883 -6.288 7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.098 -7.654 6.461 1.00 0.00 H new ATOM 854 N PRO A 61 -1.890 -6.784 9.905 1.00 0.00 N ATOM 855 CA PRO A 61 -2.770 -6.257 10.997 1.00 0.00 C ATOM 856 C PRO A 61 -4.007 -5.486 10.494 1.00 0.00 C ATOM 857 O PRO A 61 -3.899 -4.497 9.794 1.00 0.00 O ATOM 858 CB PRO A 61 -1.849 -5.350 11.849 1.00 0.00 C ATOM 859 CG PRO A 61 -0.518 -5.290 11.148 1.00 0.00 C ATOM 860 CD PRO A 61 -0.490 -6.410 10.093 1.00 0.00 C ATOM 0 HA PRO A 61 -3.198 -7.083 11.565 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.277 -4.353 11.950 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.737 -5.752 12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.379 -4.317 10.676 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.296 -5.418 11.862 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.045 -6.063 9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.103 -7.259 10.433 1.00 0.00 H new ATOM 868 N ALA A 62 -5.178 -5.955 10.857 1.00 0.00 N ATOM 869 CA ALA A 62 -6.446 -5.313 10.451 1.00 0.00 C ATOM 870 C ALA A 62 -6.325 -3.801 10.489 1.00 0.00 C ATOM 871 O ALA A 62 -5.890 -3.204 11.459 1.00 0.00 O ATOM 872 CB ALA A 62 -7.567 -5.757 11.390 1.00 0.00 C ATOM 0 H ALA A 62 -5.299 -6.785 11.438 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.674 -5.617 9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.502 -5.283 11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.677 -6.840 11.339 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.323 -5.465 12.411 1.00 0.00 H new ATOM 878 N ALA A 63 -6.713 -3.205 9.421 1.00 0.00 N ATOM 879 CA ALA A 63 -6.660 -1.724 9.293 1.00 0.00 C ATOM 880 C ALA A 63 -7.494 -1.060 10.412 1.00 0.00 C ATOM 881 O ALA A 63 -8.500 -1.579 10.849 1.00 0.00 O ATOM 882 CB ALA A 63 -7.203 -1.328 7.908 1.00 0.00 C ATOM 0 H ALA A 63 -7.078 -3.687 8.599 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.630 -1.381 9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.170 -0.244 7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.591 -1.788 7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.233 -1.671 7.809 1.00 0.00 H new ATOM 888 N ASN A 64 -7.048 0.079 10.872 1.00 0.00 N ATOM 889 CA ASN A 64 -7.775 0.785 11.972 1.00 0.00 C ATOM 890 C ASN A 64 -8.910 1.642 11.399 1.00 0.00 C ATOM 891 O ASN A 64 -8.965 1.934 10.223 1.00 0.00 O ATOM 892 CB ASN A 64 -6.808 1.667 12.768 1.00 0.00 C ATOM 893 CG ASN A 64 -5.861 2.401 11.816 1.00 0.00 C ATOM 894 OD1 ASN A 64 -5.890 2.184 10.619 1.00 0.00 O ATOM 895 ND2 ASN A 64 -5.016 3.269 12.299 1.00 0.00 N ATOM 0 H ASN A 64 -6.210 0.553 10.534 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.201 0.036 12.639 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.368 2.388 13.364 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.234 1.055 13.464 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.381 3.765 11.674 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.990 3.452 13.302 1.00 0.00 H new ATOM 902 N GLU A 65 -9.837 2.001 12.242 1.00 0.00 N ATOM 903 CA GLU A 65 -11.024 2.799 11.803 1.00 0.00 C ATOM 904 C GLU A 65 -10.649 4.233 11.415 1.00 0.00 C ATOM 905 O GLU A 65 -11.509 5.013 11.054 1.00 0.00 O ATOM 906 CB GLU A 65 -12.061 2.827 12.930 1.00 0.00 C ATOM 907 CG GLU A 65 -11.488 3.565 14.141 1.00 0.00 C ATOM 908 CD GLU A 65 -12.333 3.248 15.377 1.00 0.00 C ATOM 909 OE1 GLU A 65 -12.667 2.090 15.562 1.00 0.00 O ATOM 910 OE2 GLU A 65 -12.630 4.169 16.121 1.00 0.00 O ATOM 0 H GLU A 65 -9.825 1.772 13.236 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.437 2.318 10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.970 3.321 12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.336 1.810 13.209 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.454 3.265 14.308 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.482 4.639 13.957 1.00 0.00 H new ATOM 917 N ARG A 66 -9.396 4.608 11.468 1.00 0.00 N ATOM 918 CA ARG A 66 -9.036 6.002 11.075 1.00 0.00 C ATOM 919 C ARG A 66 -8.927 6.078 9.545 1.00 0.00 C ATOM 920 O ARG A 66 -9.301 7.058 8.940 1.00 0.00 O ATOM 921 CB ARG A 66 -7.683 6.419 11.706 1.00 0.00 C ATOM 922 CG ARG A 66 -7.427 5.677 13.027 1.00 0.00 C ATOM 923 CD ARG A 66 -8.455 6.095 14.085 1.00 0.00 C ATOM 924 NE ARG A 66 -8.017 7.368 14.731 1.00 0.00 N ATOM 925 CZ ARG A 66 -8.775 7.939 15.631 1.00 0.00 C ATOM 926 NH1 ARG A 66 -9.933 7.418 15.929 1.00 0.00 N ATOM 927 NH2 ARG A 66 -8.380 9.036 16.221 1.00 0.00 N ATOM 0 H ARG A 66 -8.617 4.018 11.762 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.810 6.680 11.434 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.874 6.209 11.007 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.679 7.494 11.884 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.482 4.601 12.863 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.420 5.894 13.384 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.434 6.227 13.624 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.559 5.311 14.835 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.127 7.792 14.470 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.245 6.567 15.461 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.526 7.861 16.630 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.479 9.449 15.980 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.973 9.480 16.923 1.00 0.00 H new ATOM 941 N GLU A 67 -8.394 5.058 8.934 1.00 0.00 N ATOM 942 CA GLU A 67 -8.230 5.072 7.453 1.00 0.00 C ATOM 943 C GLU A 67 -9.562 4.789 6.760 1.00 0.00 C ATOM 944 O GLU A 67 -9.809 5.259 5.662 1.00 0.00 O ATOM 945 CB GLU A 67 -7.216 3.999 7.047 1.00 0.00 C ATOM 946 CG GLU A 67 -7.610 2.611 7.626 1.00 0.00 C ATOM 947 CD GLU A 67 -7.542 1.536 6.529 1.00 0.00 C ATOM 948 OE1 GLU A 67 -6.506 1.433 5.893 1.00 0.00 O ATOM 949 OE2 GLU A 67 -8.526 0.837 6.349 1.00 0.00 O ATOM 0 H GLU A 67 -8.063 4.212 9.398 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.878 6.058 7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.159 3.940 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.224 4.277 7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.940 2.348 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.617 2.655 8.040 1.00 0.00 H new ATOM 956 N ILE A 68 -10.418 4.021 7.368 1.00 0.00 N ATOM 957 CA ILE A 68 -11.719 3.711 6.719 1.00 0.00 C ATOM 958 C ILE A 68 -12.415 5.014 6.330 1.00 0.00 C ATOM 959 O ILE A 68 -13.036 5.117 5.289 1.00 0.00 O ATOM 960 CB ILE A 68 -12.586 2.916 7.691 1.00 0.00 C ATOM 961 CG1 ILE A 68 -11.783 1.703 8.169 1.00 0.00 C ATOM 962 CG2 ILE A 68 -13.858 2.443 6.977 1.00 0.00 C ATOM 963 CD1 ILE A 68 -12.633 0.838 9.105 1.00 0.00 C ATOM 0 H ILE A 68 -10.274 3.595 8.284 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.556 3.117 5.820 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.869 3.539 8.540 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.458 1.113 7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.883 2.035 8.687 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.476 1.875 7.673 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.416 3.307 6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.587 1.810 6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.049 -0.021 9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.936 1.428 9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.520 0.491 8.574 1.00 0.00 H new ATOM 975 N GLY A 69 -12.315 6.007 7.161 1.00 0.00 N ATOM 976 CA GLY A 69 -12.974 7.311 6.851 1.00 0.00 C ATOM 977 C GLY A 69 -12.197 8.053 5.753 1.00 0.00 C ATOM 978 O GLY A 69 -12.772 8.758 4.950 1.00 0.00 O ATOM 0 H GLY A 69 -11.806 5.977 8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.001 7.140 6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.022 7.925 7.750 1.00 0.00 H new ATOM 982 N MET A 70 -10.904 7.877 5.689 1.00 0.00 N ATOM 983 CA MET A 70 -10.113 8.550 4.620 1.00 0.00 C ATOM 984 C MET A 70 -10.248 7.721 3.342 1.00 0.00 C ATOM 985 O MET A 70 -10.296 8.236 2.241 1.00 0.00 O ATOM 986 CB MET A 70 -8.639 8.630 5.028 1.00 0.00 C ATOM 987 CG MET A 70 -8.528 9.164 6.455 1.00 0.00 C ATOM 988 SD MET A 70 -6.783 9.215 6.942 1.00 0.00 S ATOM 989 CE MET A 70 -6.989 8.677 8.658 1.00 0.00 C ATOM 0 H MET A 70 -10.363 7.297 6.330 1.00 0.00 H new ATOM 0 HA MET A 70 -10.483 9.563 4.461 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.179 7.644 4.962 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.097 9.281 4.342 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.964 10.161 6.517 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.090 8.527 7.138 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.263 9.189 9.289 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.997 8.918 8.996 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.832 7.600 8.723 1.00 0.00 H new ATOM 999 N LEU A 71 -10.313 6.429 3.508 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.450 5.514 2.337 1.00 0.00 C ATOM 1001 C LEU A 71 -11.717 5.881 1.562 1.00 0.00 C ATOM 1002 O LEU A 71 -11.785 5.723 0.357 1.00 0.00 O ATOM 1003 CB LEU A 71 -10.532 4.075 2.880 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.118 3.454 2.979 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.118 2.345 4.035 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -8.706 2.850 1.628 1.00 0.00 C ATOM 0 H LEU A 71 -10.277 5.962 4.414 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.601 5.601 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.005 4.077 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.158 3.468 2.226 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.412 4.237 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.122 1.908 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.399 2.763 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.834 1.573 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.709 2.417 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.417 2.074 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.699 3.631 0.867 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.710 6.393 2.235 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.958 6.798 1.530 1.00 0.00 C ATOM 1020 C GLU A 72 -13.692 8.143 0.851 1.00 0.00 C ATOM 1021 O GLU A 72 -14.544 8.708 0.189 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.080 6.939 2.574 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.263 7.720 1.981 1.00 0.00 C ATOM 1024 CD GLU A 72 -17.525 7.452 2.811 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -18.117 6.402 2.626 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.877 8.302 3.610 1.00 0.00 O ATOM 0 H GLU A 72 -12.711 6.548 3.243 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.256 6.061 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.412 5.952 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.702 7.453 3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.040 8.787 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.426 7.421 0.946 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.505 8.660 1.039 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.136 9.988 0.456 1.00 0.00 C ATOM 1035 C CYS A 73 -11.121 9.831 -0.696 1.00 0.00 C ATOM 1036 O CYS A 73 -10.571 10.809 -1.158 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.534 10.861 1.583 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.529 12.360 1.816 1.00 0.00 S ATOM 0 H CYS A 73 -11.764 8.213 1.579 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.027 10.461 0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.497 10.293 2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.508 11.132 1.334 1.00 0.00 H new ATOM 0 HG CYS A 73 -12.012 13.081 2.767 1.00 0.00 H new ATOM 1044 N VAL A 74 -10.855 8.637 -1.168 1.00 0.00 N ATOM 1045 CA VAL A 74 -9.867 8.499 -2.283 1.00 0.00 C ATOM 1046 C VAL A 74 -10.497 8.960 -3.599 1.00 0.00 C ATOM 1047 O VAL A 74 -11.690 9.182 -3.688 1.00 0.00 O ATOM 1048 CB VAL A 74 -9.427 7.040 -2.401 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -8.885 6.577 -1.060 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -10.616 6.159 -2.773 1.00 0.00 C ATOM 0 H VAL A 74 -11.271 7.767 -0.837 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.998 9.121 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.662 6.962 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.569 5.537 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.033 7.196 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.664 6.666 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.289 5.122 -2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.383 6.239 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.026 6.486 -3.729 1.00 0.00 H new ATOM 1060 N THR A 75 -9.701 9.127 -4.617 1.00 0.00 N ATOM 1061 CA THR A 75 -10.245 9.602 -5.927 1.00 0.00 C ATOM 1062 C THR A 75 -10.732 8.431 -6.792 1.00 0.00 C ATOM 1063 O THR A 75 -11.614 8.603 -7.605 1.00 0.00 O ATOM 1064 CB THR A 75 -9.155 10.364 -6.684 1.00 0.00 C ATOM 1065 OG1 THR A 75 -8.533 11.289 -5.804 1.00 0.00 O ATOM 1066 CG2 THR A 75 -9.774 11.115 -7.864 1.00 0.00 C ATOM 0 H THR A 75 -8.696 8.956 -4.602 1.00 0.00 H new ATOM 0 HA THR A 75 -11.094 10.254 -5.723 1.00 0.00 H new ATOM 0 HB THR A 75 -8.413 9.659 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.006 12.146 -5.843 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.994 11.656 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.251 10.404 -8.538 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.518 11.821 -7.496 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.187 7.244 -6.633 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.654 6.097 -7.484 1.00 0.00 C ATOM 1076 C ALA A 76 -11.732 5.310 -6.718 1.00 0.00 C ATOM 1077 O ALA A 76 -12.155 5.697 -5.645 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.459 5.190 -7.820 1.00 0.00 C ATOM 0 H ALA A 76 -9.451 7.022 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.081 6.469 -8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.796 4.357 -8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.708 5.764 -8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.024 4.805 -6.898 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.206 4.233 -7.288 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.292 3.435 -6.632 1.00 0.00 C ATOM 1086 C GLU A 77 -12.742 2.615 -5.459 1.00 0.00 C ATOM 1087 O GLU A 77 -11.720 1.985 -5.554 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.918 2.524 -7.721 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.939 1.024 -7.360 1.00 0.00 C ATOM 1090 CD GLU A 77 -12.530 0.442 -7.487 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -11.622 1.199 -7.785 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -12.382 -0.752 -7.282 1.00 0.00 O ATOM 0 H GLU A 77 -11.887 3.867 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.052 4.094 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.939 2.854 -7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.363 2.654 -8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.308 0.890 -6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.624 0.491 -8.020 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.434 2.608 -4.354 1.00 0.00 N ATOM 1100 CA LEU A 78 -12.958 1.812 -3.185 1.00 0.00 C ATOM 1101 C LEU A 78 -13.414 0.370 -3.317 1.00 0.00 C ATOM 1102 O LEU A 78 -14.435 0.053 -3.899 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.496 2.414 -1.880 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.472 2.189 -0.739 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.269 3.134 -0.920 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.128 2.430 0.631 1.00 0.00 C ATOM 0 H LEU A 78 -14.306 3.117 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.869 1.839 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.682 3.480 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.450 1.953 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.126 1.156 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.553 2.970 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.789 2.933 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.612 4.168 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.394 2.267 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.495 3.455 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.961 1.739 0.762 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.627 -0.494 -2.769 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.907 -1.946 -2.807 1.00 0.00 C ATOM 1120 C LYS A 79 -13.225 -2.398 -1.384 1.00 0.00 C ATOM 1121 O LYS A 79 -12.813 -1.774 -0.427 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.623 -2.634 -3.273 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.523 -2.626 -4.806 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.362 -3.770 -5.404 1.00 0.00 C ATOM 1125 CE LYS A 79 -12.129 -3.860 -6.909 1.00 0.00 C ATOM 1126 NZ LYS A 79 -12.573 -5.197 -7.398 1.00 0.00 N ATOM 0 H LYS A 79 -11.768 -0.246 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.739 -2.185 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.758 -2.127 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.603 -3.661 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.872 -1.669 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.482 -2.733 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.094 -4.714 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.419 -3.600 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.680 -3.071 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.073 -3.710 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.415 -5.261 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.029 -5.941 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.585 -5.322 -7.195 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.920 -3.481 -1.220 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.228 -3.992 0.136 1.00 0.00 C ATOM 1142 C PRO A 80 -12.919 -4.264 0.884 1.00 0.00 C ATOM 1143 O PRO A 80 -12.821 -4.102 2.084 1.00 0.00 O ATOM 1144 CB PRO A 80 -15.024 -5.289 -0.109 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.758 -5.649 -1.548 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.486 -4.331 -2.269 1.00 0.00 C ATOM 0 HA PRO A 80 -14.796 -3.290 0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.699 -6.084 0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.089 -5.137 0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.905 -6.322 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.613 -6.164 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.791 -4.463 -3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.399 -3.904 -2.683 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.911 -4.676 0.156 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.584 -4.970 0.770 1.00 0.00 C ATOM 1156 C ASN A 81 -9.581 -3.850 0.455 1.00 0.00 C ATOM 1157 O ASN A 81 -8.389 -4.028 0.607 1.00 0.00 O ATOM 1158 CB ASN A 81 -10.049 -6.287 0.201 1.00 0.00 C ATOM 1159 CG ASN A 81 -9.765 -6.120 -1.281 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -10.611 -6.394 -2.110 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -8.599 -5.673 -1.667 1.00 0.00 N ATOM 0 H ASN A 81 -11.955 -4.822 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.707 -5.042 1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.139 -6.579 0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.776 -7.084 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.401 -5.555 -2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.887 -5.442 -0.974 1.00 0.00 H new ATOM 1168 N SER A 82 -10.034 -2.692 0.042 1.00 0.00 N ATOM 1169 CA SER A 82 -9.083 -1.582 -0.240 1.00 0.00 C ATOM 1170 C SER A 82 -8.390 -1.176 1.063 1.00 0.00 C ATOM 1171 O SER A 82 -8.968 -1.240 2.131 1.00 0.00 O ATOM 1172 CB SER A 82 -9.852 -0.396 -0.810 1.00 0.00 C ATOM 1173 OG SER A 82 -9.276 -0.052 -2.060 1.00 0.00 O ATOM 0 H SER A 82 -11.018 -2.471 -0.110 1.00 0.00 H new ATOM 0 HA SER A 82 -8.334 -1.905 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.905 -0.650 -0.934 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.807 0.451 -0.125 1.00 0.00 H new ATOM 0 HG SER A 82 -9.133 -0.865 -2.589 1.00 0.00 H new ATOM 1179 N ARG A 83 -7.152 -0.778 0.982 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.412 -0.388 2.228 1.00 0.00 C ATOM 1181 C ARG A 83 -5.346 0.651 1.881 1.00 0.00 C ATOM 1182 O ARG A 83 -4.863 0.723 0.770 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.725 -1.619 2.847 1.00 0.00 C ATOM 1184 CG ARG A 83 -6.770 -2.639 3.332 1.00 0.00 C ATOM 1185 CD ARG A 83 -6.075 -3.819 4.035 1.00 0.00 C ATOM 1186 NE ARG A 83 -5.886 -3.522 5.481 1.00 0.00 N ATOM 1187 CZ ARG A 83 -5.634 -4.504 6.316 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -5.511 -5.722 5.860 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -5.491 -4.271 7.585 1.00 0.00 N ATOM 0 H ARG A 83 -6.618 -0.704 0.116 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.122 0.027 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.070 -2.084 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.097 -1.309 3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.468 -2.158 4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.354 -3.003 2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.672 -4.723 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.109 -4.012 3.567 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.952 -2.563 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.611 -5.905 4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.315 -6.490 6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.574 -3.319 7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.295 -5.040 8.226 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.970 1.454 2.837 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.931 2.482 2.577 1.00 0.00 C ATOM 1205 C LEU A 84 -2.562 1.803 2.537 1.00 0.00 C ATOM 1206 O LEU A 84 -2.434 0.645 2.870 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.960 3.529 3.694 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.307 4.274 3.719 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.226 5.400 4.754 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.632 4.873 2.334 1.00 0.00 C ATOM 0 H LEU A 84 -5.339 1.441 3.788 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.123 2.974 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.791 3.044 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.149 4.242 3.549 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.097 3.570 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.174 5.937 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.019 4.977 5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.427 6.089 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.588 5.394 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.849 5.576 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.688 4.073 1.596 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.544 2.508 2.112 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.178 1.895 2.008 1.00 0.00 C ATOM 1224 C CYS A 85 0.763 2.406 3.116 1.00 0.00 C ATOM 1225 O CYS A 85 1.878 1.938 3.230 1.00 0.00 O ATOM 1226 CB CYS A 85 0.406 2.262 0.626 1.00 0.00 C ATOM 1227 SG CYS A 85 1.434 0.904 0.016 1.00 0.00 S ATOM 0 H CYS A 85 -1.597 3.487 1.830 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.265 0.815 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.401 2.464 -0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.999 3.174 0.702 1.00 0.00 H new ATOM 0 HG CYS A 85 1.921 1.217 -1.148 1.00 0.00 H new ATOM 1233 N CYS A 86 0.357 3.374 3.912 1.00 0.00 N ATOM 1234 CA CYS A 86 1.289 3.897 4.972 1.00 0.00 C ATOM 1235 C CYS A 86 1.065 3.193 6.319 1.00 0.00 C ATOM 1236 O CYS A 86 1.990 3.049 7.096 1.00 0.00 O ATOM 1237 CB CYS A 86 1.096 5.408 5.144 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.650 5.787 5.423 1.00 0.00 S ATOM 0 H CYS A 86 -0.561 3.817 3.876 1.00 0.00 H new ATOM 0 HA CYS A 86 2.309 3.691 4.646 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.692 5.765 5.984 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.452 5.931 4.256 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.132 2.744 6.620 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.357 2.045 7.936 1.00 0.00 C ATOM 1245 C GLN A 87 -0.209 0.527 7.751 1.00 0.00 C ATOM 1246 O GLN A 87 -0.559 -0.254 8.616 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.754 2.370 8.476 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.786 2.239 7.354 1.00 0.00 C ATOM 1249 CD GLN A 87 -4.191 2.192 7.964 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -4.949 1.281 7.694 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -4.569 3.141 8.776 1.00 0.00 N ATOM 0 H GLN A 87 -0.955 2.827 6.023 1.00 0.00 H new ATOM 0 HA GLN A 87 0.387 2.394 8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.004 1.694 9.294 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.771 3.381 8.882 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.703 3.081 6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.598 1.335 6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.931 3.904 9.001 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.503 3.120 9.186 1.00 0.00 H new ATOM 1260 N ILE A 88 0.326 0.113 6.631 1.00 0.00 N ATOM 1261 CA ILE A 88 0.528 -1.353 6.376 1.00 0.00 C ATOM 1262 C ILE A 88 1.973 -1.722 6.736 1.00 0.00 C ATOM 1263 O ILE A 88 2.904 -1.205 6.166 1.00 0.00 O ATOM 1264 CB ILE A 88 0.266 -1.668 4.895 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.184 -1.304 4.511 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.518 -3.152 4.631 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -2.195 -2.347 5.024 1.00 0.00 C ATOM 0 H ILE A 88 0.634 0.727 5.877 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.166 -1.931 6.986 1.00 0.00 H new ATOM 0 HB ILE A 88 0.945 -1.072 4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.433 -0.325 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.263 -1.225 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.331 -3.371 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.553 -3.394 4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.150 -3.750 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.203 -2.052 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.963 -3.321 4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.136 -2.407 6.111 1.00 0.00 H new ATOM 1279 N ILE A 89 2.159 -2.604 7.686 1.00 0.00 N ATOM 1280 CA ILE A 89 3.543 -2.999 8.122 1.00 0.00 C ATOM 1281 C ILE A 89 3.951 -4.324 7.467 1.00 0.00 C ATOM 1282 O ILE A 89 3.314 -5.343 7.647 1.00 0.00 O ATOM 1283 CB ILE A 89 3.550 -3.147 9.671 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.981 -1.825 10.331 1.00 0.00 C ATOM 1285 CG2 ILE A 89 4.509 -4.267 10.127 1.00 0.00 C ATOM 1286 CD1 ILE A 89 3.118 -0.666 9.815 1.00 0.00 C ATOM 0 H ILE A 89 1.405 -3.075 8.186 1.00 0.00 H new ATOM 0 HA ILE A 89 4.257 -2.234 7.816 1.00 0.00 H new ATOM 0 HB ILE A 89 2.536 -3.405 9.978 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.886 -1.904 11.414 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.031 -1.629 10.116 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.489 -4.343 11.214 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.194 -5.215 9.691 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.522 -4.035 9.798 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.434 0.263 10.290 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.234 -0.579 8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.072 -0.858 10.053 1.00 0.00 H new ATOM 1298 N MET A 90 5.007 -4.306 6.701 1.00 0.00 N ATOM 1299 CA MET A 90 5.454 -5.550 6.034 1.00 0.00 C ATOM 1300 C MET A 90 6.139 -6.474 7.042 1.00 0.00 C ATOM 1301 O MET A 90 6.624 -6.047 8.072 1.00 0.00 O ATOM 1302 CB MET A 90 6.433 -5.208 4.904 1.00 0.00 C ATOM 1303 CG MET A 90 6.369 -6.307 3.844 1.00 0.00 C ATOM 1304 SD MET A 90 4.798 -6.150 2.949 1.00 0.00 S ATOM 1305 CE MET A 90 4.055 -7.742 3.398 1.00 0.00 C ATOM 0 H MET A 90 5.576 -3.481 6.511 1.00 0.00 H new ATOM 0 HA MET A 90 4.584 -6.059 5.620 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.178 -4.244 4.463 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.446 -5.121 5.296 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.209 -6.218 3.155 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.443 -7.289 4.311 1.00 0.00 H new ATOM 0 HE1 MET A 90 2.997 -7.737 3.135 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.559 -8.544 2.859 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.161 -7.904 4.471 1.00 0.00 H new ATOM 1315 N THR A 91 6.182 -7.739 6.733 1.00 0.00 N ATOM 1316 CA THR A 91 6.843 -8.733 7.630 1.00 0.00 C ATOM 1317 C THR A 91 7.287 -9.910 6.749 1.00 0.00 C ATOM 1318 O THR A 91 6.688 -10.173 5.731 1.00 0.00 O ATOM 1319 CB THR A 91 5.856 -9.226 8.706 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.541 -9.234 8.175 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.900 -8.315 9.940 1.00 0.00 C ATOM 0 H THR A 91 5.781 -8.135 5.883 1.00 0.00 H new ATOM 0 HA THR A 91 7.694 -8.282 8.140 1.00 0.00 H new ATOM 0 HB THR A 91 6.143 -10.234 9.004 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.914 -9.549 8.859 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.196 -8.681 10.687 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.907 -8.317 10.358 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.629 -7.299 9.652 1.00 0.00 H new ATOM 1329 N PRO A 92 8.333 -10.600 7.127 1.00 0.00 N ATOM 1330 CA PRO A 92 8.857 -11.743 6.328 1.00 0.00 C ATOM 1331 C PRO A 92 7.793 -12.821 6.072 1.00 0.00 C ATOM 1332 O PRO A 92 7.646 -13.311 4.966 1.00 0.00 O ATOM 1333 CB PRO A 92 10.029 -12.296 7.165 1.00 0.00 C ATOM 1334 CG PRO A 92 9.876 -11.694 8.535 1.00 0.00 C ATOM 1335 CD PRO A 92 9.127 -10.377 8.341 1.00 0.00 C ATOM 0 HA PRO A 92 9.167 -11.423 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.997 -13.385 7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 92 10.987 -12.023 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.323 -12.363 9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.849 -11.524 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.493 -10.148 9.197 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.815 -9.540 8.221 1.00 0.00 H new ATOM 1343 N GLU A 93 7.054 -13.198 7.075 1.00 0.00 N ATOM 1344 CA GLU A 93 6.015 -14.249 6.868 1.00 0.00 C ATOM 1345 C GLU A 93 5.059 -13.787 5.758 1.00 0.00 C ATOM 1346 O GLU A 93 4.507 -14.581 5.021 1.00 0.00 O ATOM 1347 CB GLU A 93 5.243 -14.491 8.174 1.00 0.00 C ATOM 1348 CG GLU A 93 5.193 -13.200 8.994 1.00 0.00 C ATOM 1349 CD GLU A 93 4.126 -13.330 10.088 1.00 0.00 C ATOM 1350 OE1 GLU A 93 4.097 -14.361 10.740 1.00 0.00 O ATOM 1351 OE2 GLU A 93 3.355 -12.399 10.247 1.00 0.00 O ATOM 0 H GLU A 93 7.121 -12.829 8.024 1.00 0.00 H new ATOM 0 HA GLU A 93 6.489 -15.186 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.231 -14.831 7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.725 -15.281 8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.167 -13.004 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.964 -12.354 8.346 1.00 0.00 H new ATOM 1358 N LEU A 94 4.856 -12.507 5.653 1.00 0.00 N ATOM 1359 CA LEU A 94 3.930 -11.955 4.622 1.00 0.00 C ATOM 1360 C LEU A 94 4.695 -11.667 3.336 1.00 0.00 C ATOM 1361 O LEU A 94 4.202 -11.021 2.431 1.00 0.00 O ATOM 1362 CB LEU A 94 3.297 -10.678 5.201 1.00 0.00 C ATOM 1363 CG LEU A 94 2.485 -10.993 6.495 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.409 -9.932 6.699 1.00 0.00 C ATOM 1365 CD2 LEU A 94 1.795 -12.364 6.452 1.00 0.00 C ATOM 0 H LEU A 94 5.299 -11.806 6.247 1.00 0.00 H new ATOM 0 HA LEU A 94 3.146 -12.671 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.077 -9.951 5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.642 -10.224 4.458 1.00 0.00 H new ATOM 0 HG LEU A 94 3.203 -10.999 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.844 -10.156 7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.878 -8.953 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.735 -9.928 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.247 -12.525 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.102 -12.397 5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.546 -13.146 6.334 1.00 0.00 H new ATOM 1377 N ASP A 95 5.898 -12.153 3.243 1.00 0.00 N ATOM 1378 CA ASP A 95 6.711 -11.937 2.014 1.00 0.00 C ATOM 1379 C ASP A 95 5.979 -12.488 0.780 1.00 0.00 C ATOM 1380 O ASP A 95 5.395 -13.554 0.802 1.00 0.00 O ATOM 1381 CB ASP A 95 8.043 -12.672 2.181 1.00 0.00 C ATOM 1382 CG ASP A 95 7.771 -14.154 2.448 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.710 -14.459 2.965 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.625 -14.959 2.120 1.00 0.00 O ATOM 0 H ASP A 95 6.359 -12.697 3.973 1.00 0.00 H new ATOM 0 HA ASP A 95 6.876 -10.869 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.650 -12.558 1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.609 -12.240 3.006 1.00 0.00 H new ATOM 1389 N GLY A 96 6.038 -11.766 -0.305 1.00 0.00 N ATOM 1390 CA GLY A 96 5.389 -12.206 -1.586 1.00 0.00 C ATOM 1391 C GLY A 96 4.112 -11.396 -1.819 1.00 0.00 C ATOM 1392 O GLY A 96 3.396 -11.599 -2.778 1.00 0.00 O ATOM 0 H GLY A 96 6.518 -10.868 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.077 -12.068 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.154 -13.269 -1.540 1.00 0.00 H new ATOM 1396 N ILE A 97 3.788 -10.539 -0.900 1.00 0.00 N ATOM 1397 CA ILE A 97 2.508 -9.766 -0.995 1.00 0.00 C ATOM 1398 C ILE A 97 2.400 -8.968 -2.295 1.00 0.00 C ATOM 1399 O ILE A 97 3.355 -8.404 -2.780 1.00 0.00 O ATOM 1400 CB ILE A 97 2.378 -8.837 0.216 1.00 0.00 C ATOM 1401 CG1 ILE A 97 0.993 -8.124 0.203 1.00 0.00 C ATOM 1402 CG2 ILE A 97 3.524 -7.822 0.239 1.00 0.00 C ATOM 1403 CD1 ILE A 97 1.030 -6.764 -0.510 1.00 0.00 C ATOM 0 H ILE A 97 4.354 -10.333 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 97 1.688 -10.484 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 97 2.443 -9.434 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.263 -8.767 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.653 -7.982 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.415 -7.170 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.476 -8.349 0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.497 -7.223 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.037 -6.314 -0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.737 -6.107 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.342 -6.904 -1.545 1.00 0.00 H new ATOM 1415 N VAL A 98 1.217 -8.942 -2.871 1.00 0.00 N ATOM 1416 CA VAL A 98 0.999 -8.201 -4.149 1.00 0.00 C ATOM 1417 C VAL A 98 0.141 -6.947 -3.911 1.00 0.00 C ATOM 1418 O VAL A 98 -0.996 -7.030 -3.492 1.00 0.00 O ATOM 1419 CB VAL A 98 0.283 -9.133 -5.133 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.483 -8.640 -6.570 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.853 -10.551 -4.999 1.00 0.00 C ATOM 0 H VAL A 98 0.388 -9.409 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 98 1.961 -7.885 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.783 -9.139 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.030 -9.310 -7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.074 -7.634 -6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.547 -8.624 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.345 -11.215 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.920 -10.537 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.700 -10.910 -3.981 1.00 0.00 H new ATOM 1431 N VAL A 99 0.687 -5.786 -4.181 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.059 -4.503 -3.996 1.00 0.00 C ATOM 1433 C VAL A 99 -0.531 -3.996 -5.354 1.00 0.00 C ATOM 1434 O VAL A 99 0.246 -3.856 -6.278 1.00 0.00 O ATOM 1435 CB VAL A 99 0.881 -3.429 -3.415 1.00 0.00 C ATOM 1436 CG1 VAL A 99 0.054 -2.344 -2.719 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.857 -4.038 -2.412 1.00 0.00 C ATOM 0 H VAL A 99 1.639 -5.673 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.899 -4.684 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 99 1.452 -2.996 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.721 -1.585 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.621 -1.882 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.527 -2.791 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.508 -3.258 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.300 -4.494 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.461 -4.798 -2.907 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.788 -3.724 -5.482 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.336 -3.224 -6.782 1.00 0.00 C ATOM 1449 C ASP A 100 -2.542 -1.707 -6.690 1.00 0.00 C ATOM 1450 O ASP A 100 -3.300 -1.213 -5.878 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.660 -3.961 -7.068 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.430 -5.115 -8.049 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.468 -5.843 -7.865 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -4.220 -5.248 -8.969 1.00 0.00 O ATOM 0 H ASP A 100 -2.478 -3.825 -4.737 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.645 -3.419 -7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.078 -4.345 -6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.389 -3.264 -7.481 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.852 -0.967 -7.528 1.00 0.00 N ATOM 1460 CA VAL A 101 -1.963 0.526 -7.519 1.00 0.00 C ATOM 1461 C VAL A 101 -2.821 0.983 -8.721 1.00 0.00 C ATOM 1462 O VAL A 101 -2.596 0.543 -9.834 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.562 1.128 -7.643 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.627 2.638 -7.409 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.364 0.495 -6.598 1.00 0.00 C ATOM 0 H VAL A 101 -1.209 -1.341 -8.226 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.430 0.857 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.175 0.930 -8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.373 3.063 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.283 3.093 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.017 2.835 -6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.362 0.925 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.027 0.690 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.417 -0.581 -6.763 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.797 1.848 -8.517 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.689 2.350 -9.624 1.00 0.00 C ATOM 1477 C PRO A 102 -4.096 3.507 -10.443 1.00 0.00 C ATOM 1478 O PRO A 102 -2.970 3.921 -10.259 1.00 0.00 O ATOM 1479 CB PRO A 102 -5.906 2.861 -8.846 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.323 3.397 -7.585 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.180 2.445 -7.225 1.00 0.00 C ATOM 0 HA PRO A 102 -4.879 1.568 -10.359 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.439 3.634 -9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.619 2.061 -8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.957 4.414 -7.723 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.069 3.432 -6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.346 2.977 -6.768 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.502 1.685 -6.513 1.00 0.00 H new ATOM 1489 N ASP A 103 -4.897 4.032 -11.336 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.462 5.179 -12.177 1.00 0.00 C ATOM 1491 C ASP A 103 -4.696 6.473 -11.408 1.00 0.00 C ATOM 1492 O ASP A 103 -4.146 7.508 -11.724 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.287 5.207 -13.472 1.00 0.00 C ATOM 1494 CG ASP A 103 -4.725 6.275 -14.411 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -4.988 7.442 -14.173 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -4.043 5.905 -15.349 1.00 0.00 O ATOM 0 H ASP A 103 -5.847 3.707 -11.517 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.405 5.075 -12.421 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.258 4.231 -13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.332 5.420 -13.246 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.518 6.413 -10.381 1.00 0.00 N ATOM 1502 CA ARG A 104 -5.814 7.619 -9.558 1.00 0.00 C ATOM 1503 C ARG A 104 -5.578 7.228 -8.106 1.00 0.00 C ATOM 1504 O ARG A 104 -6.239 6.350 -7.604 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.294 8.070 -9.730 1.00 0.00 C ATOM 1506 CG ARG A 104 -7.851 7.735 -11.149 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.474 8.976 -11.789 1.00 0.00 C ATOM 1508 NE ARG A 104 -7.372 9.847 -12.273 1.00 0.00 N ATOM 1509 CZ ARG A 104 -7.631 10.885 -13.027 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -8.852 11.110 -13.438 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -6.659 11.686 -13.388 1.00 0.00 N ATOM 0 H ARG A 104 -5.999 5.565 -10.081 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.177 8.447 -9.868 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.911 7.582 -8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.367 9.144 -9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.047 7.358 -11.781 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.597 6.944 -11.075 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.126 8.692 -12.615 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.091 9.509 -11.065 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.408 9.635 -12.016 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.605 10.476 -13.171 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.051 11.920 -14.026 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.704 11.500 -13.081 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.857 12.496 -13.976 1.00 0.00 H new ATOM 1525 N GLN A 105 -4.658 7.863 -7.430 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.390 7.517 -6.004 1.00 0.00 C ATOM 1527 C GLN A 105 -4.719 8.756 -5.158 1.00 0.00 C ATOM 1528 O GLN A 105 -4.834 8.700 -3.950 1.00 0.00 O ATOM 1529 CB GLN A 105 -2.889 7.142 -5.853 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.739 5.729 -5.287 1.00 0.00 C ATOM 1531 CD GLN A 105 -1.302 5.246 -5.473 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -0.784 5.235 -6.675 1.00 0.00 O flip ATOM 1533 NE2 GLN A 105 -0.649 4.861 -4.526 1.00 0.00 N flip ATOM 0 H GLN A 105 -4.077 8.612 -7.807 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.996 6.672 -5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.394 7.205 -6.822 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.395 7.857 -5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.001 5.722 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.428 5.051 -5.790 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.054 4.870 -3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.305 4.528 -4.666 1.00 0.00 H new ATOM 1542 N TRP A 106 -4.866 9.873 -5.813 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.187 11.135 -5.093 1.00 0.00 C ATOM 1544 C TRP A 106 -6.433 10.921 -4.230 1.00 0.00 C ATOM 1545 O TRP A 106 -6.888 11.881 -3.640 1.00 0.00 O ATOM 1546 CB TRP A 106 -5.453 12.256 -6.102 1.00 0.00 C ATOM 1547 CG TRP A 106 -5.658 13.538 -5.363 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -6.860 14.082 -5.053 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -4.649 14.441 -4.821 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -6.649 15.261 -4.364 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -5.305 15.523 -4.189 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -3.243 14.422 -4.820 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -4.591 16.555 -3.584 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -2.522 15.458 -4.201 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -3.194 16.521 -3.588 1.00 0.00 C ATOM 1556 OXT TRP A 106 -6.910 9.798 -4.184 1.00 0.00 O ATOM 0 H TRP A 106 -4.777 9.966 -6.825 1.00 0.00 H new ATOM 0 HA TRP A 106 -4.344 11.414 -4.461 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -4.614 12.349 -6.791 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -6.333 12.022 -6.701 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.824 13.663 -5.303 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -7.397 15.866 -4.025 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -2.715 13.609 -5.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -5.114 17.376 -3.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -1.442 15.433 -4.199 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -2.633 17.315 -3.118 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -1.224 9.889 4.066 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -1.350 7.210 3.890 1.00 0.00 FE HETATM 1570 S1 FES A 107 -2.804 8.558 4.832 1.00 0.00 S HETATM 1571 S2 FES A 107 0.250 8.526 3.156 1.00 0.00 S