USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 566 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 4 MET CE :methyl 164:sc= -1.56 (180deg=-1.1) USER MOD Set 1.2: A 63 CYS SG : rot 140:sc= -0.247 USER MOD Set 1.3: A 70 MET CE :methyl -122:sc= -2.57 (180deg=-3.17!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= -0.0138 (180deg=-0.164) USER MOD Single : A 13 THR OG1 : rot 20:sc= 0.0104 USER MOD Single : A 14 ASN : amide:sc= -6.89! C(o=-6.9!,f=-6.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 96:sc= 1.42 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 123:sc= 1.16 USER MOD Single : A 33 SER OG : rot 180:sc= -0.271 USER MOD Single : A 34 THR OG1 : rot 120:sc= 0.0985 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.082) USER MOD Single : A 42 MET CE :methyl -149:sc= -0.201 (180deg=-0.984) USER MOD Single : A 43 MET CE :methyl 141:sc= -0.221 (180deg=-3.23) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.699 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.023) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0489) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.015 -2.390 -1.503 1.00 0.00 N ATOM 2 CA ALA A 1 1.948 -1.309 -1.213 1.00 0.00 C ATOM 3 C ALA A 1 3.220 -1.841 -0.562 1.00 0.00 C ATOM 4 O ALA A 1 3.272 -2.039 0.652 1.00 0.00 O ATOM 5 CB ALA A 1 1.290 -0.269 -0.318 1.00 0.00 C ATOM 0 H1 ALA A 1 0.158 -2.000 -1.945 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.461 -3.069 -2.152 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.758 -2.874 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 1 2.224 -0.838 -2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.999 0.532 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.415 0.142 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.985 -0.736 0.618 1.00 0.00 H new ATOM 11 N ASP A 2 4.244 -2.072 -1.376 1.00 0.00 N ATOM 12 CA ASP A 2 5.517 -2.582 -0.879 1.00 0.00 C ATOM 13 C ASP A 2 6.673 -1.701 -1.342 1.00 0.00 C ATOM 14 O ASP A 2 7.125 -1.801 -2.483 1.00 0.00 O ATOM 15 CB ASP A 2 5.734 -4.020 -1.352 1.00 0.00 C ATOM 16 CG ASP A 2 4.874 -5.014 -0.597 1.00 0.00 C ATOM 17 OD1 ASP A 2 3.958 -4.575 0.130 1.00 0.00 O ATOM 18 OD2 ASP A 2 5.116 -6.231 -0.733 1.00 0.00 O ATOM 0 H ASP A 2 4.218 -1.914 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 2 5.486 -2.567 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.511 -4.087 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.784 -4.285 -1.229 1.00 0.00 H new ATOM 23 N ASP A 3 7.147 -0.839 -0.449 1.00 0.00 N ATOM 24 CA ASP A 3 8.251 0.061 -0.766 1.00 0.00 C ATOM 25 C ASP A 3 9.483 -0.725 -1.202 1.00 0.00 C ATOM 26 O ASP A 3 10.327 -0.216 -1.939 1.00 0.00 O ATOM 27 CB ASP A 3 8.588 0.934 0.444 1.00 0.00 C ATOM 28 CG ASP A 3 7.350 1.480 1.127 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.717 0.728 1.897 1.00 0.00 O ATOM 30 OD2 ASP A 3 7.013 2.660 0.891 1.00 0.00 O ATOM 0 H ASP A 3 6.785 -0.744 0.500 1.00 0.00 H new ATOM 0 HA ASP A 3 7.941 0.702 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.166 0.350 1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.219 1.764 0.125 1.00 0.00 H new ATOM 35 N MET A 4 9.581 -1.967 -0.739 1.00 0.00 N ATOM 36 CA MET A 4 10.712 -2.823 -1.081 1.00 0.00 C ATOM 37 C MET A 4 10.719 -3.142 -2.573 1.00 0.00 C ATOM 38 O MET A 4 11.764 -3.454 -3.144 1.00 0.00 O ATOM 39 CB MET A 4 10.661 -4.119 -0.270 1.00 0.00 C ATOM 40 CG MET A 4 10.668 -3.896 1.233 1.00 0.00 C ATOM 41 SD MET A 4 12.276 -3.362 1.849 1.00 0.00 S ATOM 42 CE MET A 4 13.233 -4.862 1.643 1.00 0.00 C ATOM 0 H MET A 4 8.892 -2.403 -0.127 1.00 0.00 H new ATOM 0 HA MET A 4 11.629 -2.287 -0.838 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.763 -4.673 -0.543 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.514 -4.741 -0.541 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.918 -3.147 1.489 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.380 -4.820 1.735 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.296 -4.627 1.706 1.00 0.00 H new ATOM 0 HE2 MET A 4 12.971 -5.571 2.428 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.015 -5.302 0.670 1.00 0.00 H new ATOM 52 N GLU A 5 9.548 -3.063 -3.197 1.00 0.00 N ATOM 53 CA GLU A 5 9.422 -3.345 -4.622 1.00 0.00 C ATOM 54 C GLU A 5 10.155 -2.294 -5.451 1.00 0.00 C ATOM 55 O GLU A 5 10.927 -2.627 -6.351 1.00 0.00 O ATOM 56 CB GLU A 5 7.947 -3.392 -5.026 1.00 0.00 C ATOM 57 CG GLU A 5 7.731 -3.525 -6.524 1.00 0.00 C ATOM 58 CD GLU A 5 6.270 -3.703 -6.889 1.00 0.00 C ATOM 59 OE1 GLU A 5 5.722 -4.795 -6.627 1.00 0.00 O ATOM 60 OE2 GLU A 5 5.674 -2.752 -7.437 1.00 0.00 O ATOM 0 H GLU A 5 8.674 -2.806 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 5 9.876 -4.317 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.467 -4.231 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.454 -2.486 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.121 -2.638 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.301 -4.377 -6.895 1.00 0.00 H new ATOM 67 N ARG A 6 9.907 -1.026 -5.143 1.00 0.00 N ATOM 68 CA ARG A 6 10.541 0.073 -5.860 1.00 0.00 C ATOM 69 C ARG A 6 12.020 0.175 -5.501 1.00 0.00 C ATOM 70 O ARG A 6 12.857 0.469 -6.354 1.00 0.00 O ATOM 71 CB ARG A 6 9.835 1.393 -5.541 1.00 0.00 C ATOM 72 CG ARG A 6 9.690 1.662 -4.052 1.00 0.00 C ATOM 73 CD ARG A 6 9.124 3.048 -3.789 1.00 0.00 C ATOM 74 NE ARG A 6 10.155 4.081 -3.847 1.00 0.00 N ATOM 75 CZ ARG A 6 9.903 5.379 -3.727 1.00 0.00 C ATOM 76 NH1 ARG A 6 8.660 5.802 -3.543 1.00 0.00 N ATOM 77 NH2 ARG A 6 10.895 6.258 -3.791 1.00 0.00 N ATOM 0 H ARG A 6 9.271 -0.734 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 6 10.457 -0.127 -6.928 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.391 2.212 -5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.846 1.386 -5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.037 0.911 -3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.662 1.567 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.349 3.268 -4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.649 3.065 -2.808 1.00 0.00 H new ATOM 0 HE ARG A 6 11.122 3.789 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.895 5.130 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.469 6.800 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.853 5.937 -3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.700 7.255 -3.699 1.00 0.00 H new ATOM 91 N ILE A 7 12.334 -0.068 -4.233 1.00 0.00 N ATOM 92 CA ILE A 7 13.712 -0.004 -3.761 1.00 0.00 C ATOM 93 C ILE A 7 14.531 -1.174 -4.297 1.00 0.00 C ATOM 94 O ILE A 7 15.731 -1.045 -4.541 1.00 0.00 O ATOM 95 CB ILE A 7 13.781 -0.006 -2.223 1.00 0.00 C ATOM 96 CG1 ILE A 7 13.062 1.221 -1.657 1.00 0.00 C ATOM 97 CG2 ILE A 7 15.229 -0.039 -1.758 1.00 0.00 C ATOM 98 CD1 ILE A 7 12.451 0.987 -0.293 1.00 0.00 C ATOM 0 H ILE A 7 11.653 -0.311 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 7 14.130 0.931 -4.134 1.00 0.00 H new ATOM 0 HB ILE A 7 13.280 -0.901 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.768 2.049 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.278 1.525 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 7 15.261 -0.040 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 7 15.712 -0.940 -2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 7 15.753 0.839 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.958 1.898 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.720 0.181 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.234 0.713 0.414 1.00 0.00 H new ATOM 110 N PHE A 8 13.874 -2.315 -4.479 1.00 0.00 N ATOM 111 CA PHE A 8 14.541 -3.508 -4.987 1.00 0.00 C ATOM 112 C PHE A 8 15.068 -3.277 -6.400 1.00 0.00 C ATOM 113 O PHE A 8 16.007 -3.939 -6.842 1.00 0.00 O ATOM 114 CB PHE A 8 13.580 -4.698 -4.977 1.00 0.00 C ATOM 115 CG PHE A 8 14.108 -5.901 -5.706 1.00 0.00 C ATOM 116 CD1 PHE A 8 14.942 -6.804 -5.066 1.00 0.00 C ATOM 117 CD2 PHE A 8 13.770 -6.128 -7.030 1.00 0.00 C ATOM 118 CE1 PHE A 8 15.430 -7.912 -5.734 1.00 0.00 C ATOM 119 CE2 PHE A 8 14.254 -7.235 -7.703 1.00 0.00 C ATOM 120 CZ PHE A 8 15.086 -8.127 -7.054 1.00 0.00 C ATOM 0 H PHE A 8 12.881 -2.438 -4.282 1.00 0.00 H new ATOM 0 HA PHE A 8 15.386 -3.727 -4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.366 -4.974 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 8 12.635 -4.395 -5.428 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.214 -6.640 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.121 -5.433 -7.542 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.079 -8.608 -5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 8 13.982 -7.402 -8.735 1.00 0.00 H new ATOM 0 HZ PHE A 8 15.467 -8.991 -7.578 1.00 0.00 H new ATOM 130 N LYS A 9 14.456 -2.332 -7.106 1.00 0.00 N ATOM 131 CA LYS A 9 14.862 -2.010 -8.469 1.00 0.00 C ATOM 132 C LYS A 9 16.230 -1.337 -8.485 1.00 0.00 C ATOM 133 O LYS A 9 16.939 -1.376 -9.491 1.00 0.00 O ATOM 134 CB LYS A 9 13.825 -1.098 -9.130 1.00 0.00 C ATOM 135 CG LYS A 9 12.389 -1.513 -8.859 1.00 0.00 C ATOM 136 CD LYS A 9 12.146 -2.963 -9.244 1.00 0.00 C ATOM 137 CE LYS A 9 12.395 -3.196 -10.726 1.00 0.00 C ATOM 138 NZ LYS A 9 11.467 -2.399 -11.576 1.00 0.00 N ATOM 0 H LYS A 9 13.676 -1.775 -6.756 1.00 0.00 H new ATOM 0 HA LYS A 9 14.929 -2.942 -9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.972 -0.078 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.995 -1.089 -10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.162 -1.373 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.711 -0.868 -9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.799 -3.610 -8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.120 -3.239 -8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.425 -2.933 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.275 -4.256 -10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.550 -2.708 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.490 -2.541 -11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.712 -1.391 -11.507 1.00 0.00 H new ATOM 152 N ARG A 10 16.596 -0.723 -7.364 1.00 0.00 N ATOM 153 CA ARG A 10 17.880 -0.043 -7.250 1.00 0.00 C ATOM 154 C ARG A 10 18.989 -1.029 -6.896 1.00 0.00 C ATOM 155 O ARG A 10 19.993 -1.131 -7.602 1.00 0.00 O ATOM 156 CB ARG A 10 17.806 1.059 -6.191 1.00 0.00 C ATOM 157 CG ARG A 10 16.601 1.972 -6.346 1.00 0.00 C ATOM 158 CD ARG A 10 16.661 2.757 -7.648 1.00 0.00 C ATOM 159 NE ARG A 10 15.366 3.334 -7.999 1.00 0.00 N ATOM 160 CZ ARG A 10 15.095 3.863 -9.187 1.00 0.00 C ATOM 161 NH1 ARG A 10 16.023 3.887 -10.133 1.00 0.00 N ATOM 162 NH2 ARG A 10 13.893 4.370 -9.430 1.00 0.00 N ATOM 0 H ARG A 10 16.021 -0.683 -6.522 1.00 0.00 H new ATOM 0 HA ARG A 10 18.111 0.406 -8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.779 0.600 -5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.715 1.659 -6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.687 1.378 -6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.556 2.663 -5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.400 3.553 -7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.996 2.101 -8.452 1.00 0.00 H new ATOM 0 HE ARG A 10 14.629 3.331 -7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.948 3.499 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.812 4.294 -11.044 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.176 4.354 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.686 4.776 -10.342 1.00 0.00 H new ATOM 176 N PHE A 11 18.801 -1.754 -5.799 1.00 0.00 N ATOM 177 CA PHE A 11 19.785 -2.732 -5.350 1.00 0.00 C ATOM 178 C PHE A 11 20.077 -3.753 -6.446 1.00 0.00 C ATOM 179 O PHE A 11 21.188 -4.272 -6.545 1.00 0.00 O ATOM 180 CB PHE A 11 19.289 -3.446 -4.091 1.00 0.00 C ATOM 181 CG PHE A 11 19.362 -2.599 -2.853 1.00 0.00 C ATOM 182 CD1 PHE A 11 18.447 -1.581 -2.639 1.00 0.00 C ATOM 183 CD2 PHE A 11 20.346 -2.821 -1.903 1.00 0.00 C ATOM 184 CE1 PHE A 11 18.512 -0.800 -1.501 1.00 0.00 C ATOM 185 CE2 PHE A 11 20.415 -2.043 -0.763 1.00 0.00 C ATOM 186 CZ PHE A 11 19.498 -1.031 -0.562 1.00 0.00 C ATOM 0 H PHE A 11 17.976 -1.683 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 11 20.708 -2.201 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 11 18.257 -3.762 -4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 11 19.880 -4.349 -3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.674 -1.396 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 11 21.067 -3.611 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 11 17.792 -0.010 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 11 21.186 -2.227 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 11 19.552 -0.421 0.328 1.00 0.00 H new ATOM 196 N ASP A 12 19.070 -4.035 -7.266 1.00 0.00 N ATOM 197 CA ASP A 12 19.217 -4.994 -8.355 1.00 0.00 C ATOM 198 C ASP A 12 19.678 -4.300 -9.633 1.00 0.00 C ATOM 199 O ASP A 12 18.972 -4.301 -10.643 1.00 0.00 O ATOM 200 CB ASP A 12 17.894 -5.721 -8.604 1.00 0.00 C ATOM 201 CG ASP A 12 18.015 -6.789 -9.673 1.00 0.00 C ATOM 202 OD1 ASP A 12 19.180 -7.419 -9.752 1.00 0.00 O ATOM 203 OD2 ASP A 12 17.069 -7.045 -10.419 1.00 0.00 O ATOM 0 H ASP A 12 18.144 -3.613 -7.197 1.00 0.00 H new ATOM 0 HA ASP A 12 19.975 -5.722 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.553 -6.178 -7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 12 17.135 -4.997 -8.901 1.00 0.00 H new ATOM 208 N THR A 13 20.867 -3.709 -9.583 1.00 0.00 N ATOM 209 CA THR A 13 21.423 -3.011 -10.736 1.00 0.00 C ATOM 210 C THR A 13 21.525 -3.937 -11.942 1.00 0.00 C ATOM 211 O THR A 13 21.588 -3.480 -13.083 1.00 0.00 O ATOM 212 CB THR A 13 22.817 -2.435 -10.425 1.00 0.00 C ATOM 213 OG1 THR A 13 22.707 -1.371 -9.473 1.00 0.00 O ATOM 214 CG2 THR A 13 23.485 -1.922 -11.692 1.00 0.00 C ATOM 0 H THR A 13 21.464 -3.700 -8.756 1.00 0.00 H new ATOM 0 HA THR A 13 20.743 -2.191 -10.968 1.00 0.00 H new ATOM 0 HB THR A 13 23.431 -3.233 -10.007 1.00 0.00 H new ATOM 0 HG1 THR A 13 21.856 -1.448 -8.993 1.00 0.00 H new ATOM 0 HG21 THR A 13 24.468 -1.520 -11.448 1.00 0.00 H new ATOM 0 HG22 THR A 13 23.594 -2.741 -12.403 1.00 0.00 H new ATOM 0 HG23 THR A 13 22.872 -1.137 -12.134 1.00 0.00 H new ATOM 222 N ASN A 14 21.540 -5.240 -11.683 1.00 0.00 N ATOM 223 CA ASN A 14 21.634 -6.230 -12.749 1.00 0.00 C ATOM 224 C ASN A 14 20.263 -6.507 -13.358 1.00 0.00 C ATOM 225 O ASN A 14 20.154 -7.139 -14.408 1.00 0.00 O ATOM 226 CB ASN A 14 22.238 -7.530 -12.214 1.00 0.00 C ATOM 227 CG ASN A 14 22.070 -8.687 -13.181 1.00 0.00 C ATOM 228 OD1 ASN A 14 21.869 -9.830 -12.769 1.00 0.00 O ATOM 229 ND2 ASN A 14 22.152 -8.394 -14.473 1.00 0.00 N ATOM 0 H ASN A 14 21.488 -5.635 -10.744 1.00 0.00 H new ATOM 0 HA ASN A 14 22.283 -5.828 -13.527 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.299 -7.379 -12.013 1.00 0.00 H new ATOM 0 HB3 ASN A 14 21.767 -7.783 -11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 14 22.047 -9.131 -15.171 1.00 0.00 H new ATOM 0 HD22 ASN A 14 22.320 -7.432 -14.768 1.00 0.00 H new ATOM 236 N GLY A 15 19.217 -6.028 -12.690 1.00 0.00 N ATOM 237 CA GLY A 15 17.867 -6.233 -13.181 1.00 0.00 C ATOM 238 C GLY A 15 17.605 -7.673 -13.574 1.00 0.00 C ATOM 239 O GLY A 15 17.032 -7.940 -14.631 1.00 0.00 O ATOM 0 H GLY A 15 19.281 -5.502 -11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 15 17.155 -5.934 -12.412 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.695 -5.588 -14.042 1.00 0.00 H new ATOM 243 N ASP A 16 18.027 -8.603 -12.724 1.00 0.00 N ATOM 244 CA ASP A 16 17.836 -10.024 -12.989 1.00 0.00 C ATOM 245 C ASP A 16 16.966 -10.665 -11.913 1.00 0.00 C ATOM 246 O ASP A 16 16.499 -11.792 -12.068 1.00 0.00 O ATOM 247 CB ASP A 16 19.187 -10.737 -13.063 1.00 0.00 C ATOM 248 CG ASP A 16 19.432 -11.637 -11.868 1.00 0.00 C ATOM 249 OD1 ASP A 16 19.424 -11.126 -10.728 1.00 0.00 O ATOM 250 OD2 ASP A 16 19.631 -12.853 -12.072 1.00 0.00 O ATOM 0 H ASP A 16 18.504 -8.398 -11.846 1.00 0.00 H new ATOM 0 HA ASP A 16 17.328 -10.125 -13.948 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.232 -11.330 -13.976 1.00 0.00 H new ATOM 0 HB3 ASP A 16 19.983 -9.995 -13.125 1.00 0.00 H new ATOM 255 N GLY A 17 16.754 -9.938 -10.819 1.00 0.00 N ATOM 256 CA GLY A 17 15.942 -10.453 -9.732 1.00 0.00 C ATOM 257 C GLY A 17 16.772 -10.854 -8.529 1.00 0.00 C ATOM 258 O GLY A 17 16.291 -11.557 -7.640 1.00 0.00 O ATOM 0 H GLY A 17 17.130 -9.002 -10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 17 15.217 -9.696 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.375 -11.316 -10.083 1.00 0.00 H new ATOM 262 N LYS A 18 18.023 -10.409 -8.500 1.00 0.00 N ATOM 263 CA LYS A 18 18.923 -10.725 -7.397 1.00 0.00 C ATOM 264 C LYS A 18 19.977 -9.636 -7.225 1.00 0.00 C ATOM 265 O LYS A 18 20.223 -8.848 -8.139 1.00 0.00 O ATOM 266 CB LYS A 18 19.604 -12.074 -7.638 1.00 0.00 C ATOM 267 CG LYS A 18 18.657 -13.154 -8.134 1.00 0.00 C ATOM 268 CD LYS A 18 19.372 -14.481 -8.319 1.00 0.00 C ATOM 269 CE LYS A 18 19.577 -14.803 -9.791 1.00 0.00 C ATOM 270 NZ LYS A 18 19.323 -16.241 -10.085 1.00 0.00 N ATOM 0 H LYS A 18 18.437 -9.828 -9.228 1.00 0.00 H new ATOM 0 HA LYS A 18 18.331 -10.781 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 18 20.405 -11.942 -8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 18 20.068 -12.408 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.839 -13.276 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.214 -12.844 -9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.338 -14.449 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 18 18.793 -15.276 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.911 -14.186 -10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 18 20.597 -14.548 -10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.473 -16.420 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 19.976 -16.830 -9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.342 -16.479 -9.833 1.00 0.00 H new ATOM 284 N ILE A 19 20.596 -9.598 -6.050 1.00 0.00 N ATOM 285 CA ILE A 19 21.625 -8.607 -5.760 1.00 0.00 C ATOM 286 C ILE A 19 22.965 -9.275 -5.470 1.00 0.00 C ATOM 287 O ILE A 19 23.085 -10.074 -4.541 1.00 0.00 O ATOM 288 CB ILE A 19 21.234 -7.724 -4.561 1.00 0.00 C ATOM 289 CG1 ILE A 19 19.721 -7.499 -4.537 1.00 0.00 C ATOM 290 CG2 ILE A 19 21.972 -6.394 -4.620 1.00 0.00 C ATOM 291 CD1 ILE A 19 19.173 -6.937 -5.830 1.00 0.00 C ATOM 0 H ILE A 19 20.403 -10.242 -5.283 1.00 0.00 H new ATOM 0 HA ILE A 19 21.719 -7.980 -6.647 1.00 0.00 H new ATOM 0 HB ILE A 19 21.521 -8.236 -3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 19 19.225 -8.445 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 19 19.476 -6.818 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 19 21.685 -5.781 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 19 23.047 -6.573 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 19 21.713 -5.875 -5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 19 18.095 -6.803 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 19 19.642 -5.975 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 19 19.387 -7.627 -6.646 1.00 0.00 H new ATOM 303 N SER A 20 23.973 -8.940 -6.271 1.00 0.00 N ATOM 304 CA SER A 20 25.305 -9.508 -6.102 1.00 0.00 C ATOM 305 C SER A 20 26.252 -8.493 -5.469 1.00 0.00 C ATOM 306 O SER A 20 25.824 -7.444 -4.986 1.00 0.00 O ATOM 307 CB SER A 20 25.860 -9.970 -7.450 1.00 0.00 C ATOM 308 OG SER A 20 26.515 -11.221 -7.331 1.00 0.00 O ATOM 0 H SER A 20 23.892 -8.278 -7.043 1.00 0.00 H new ATOM 0 HA SER A 20 25.225 -10.368 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 20 25.048 -10.049 -8.173 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.558 -9.226 -7.834 1.00 0.00 H new ATOM 0 HG SER A 20 25.896 -11.939 -7.578 1.00 0.00 H new ATOM 314 N LEU A 21 27.541 -8.813 -5.475 1.00 0.00 N ATOM 315 CA LEU A 21 28.551 -7.930 -4.903 1.00 0.00 C ATOM 316 C LEU A 21 28.753 -6.695 -5.775 1.00 0.00 C ATOM 317 O LEU A 21 29.231 -5.662 -5.305 1.00 0.00 O ATOM 318 CB LEU A 21 29.877 -8.676 -4.741 1.00 0.00 C ATOM 319 CG LEU A 21 29.775 -10.138 -4.303 1.00 0.00 C ATOM 320 CD1 LEU A 21 31.157 -10.709 -4.026 1.00 0.00 C ATOM 321 CD2 LEU A 21 28.887 -10.266 -3.075 1.00 0.00 C ATOM 0 H LEU A 21 27.912 -9.677 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 21 28.201 -7.606 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 21 30.411 -8.638 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.485 -8.141 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 21 29.324 -10.710 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 21 31.065 -11.750 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 21 31.762 -10.652 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.636 -10.135 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 21 28.826 -11.313 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 21 29.309 -9.681 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 21 27.888 -9.896 -3.308 1.00 0.00 H new ATOM 333 N SER A 22 28.382 -6.808 -7.046 1.00 0.00 N ATOM 334 CA SER A 22 28.524 -5.701 -7.985 1.00 0.00 C ATOM 335 C SER A 22 27.338 -4.747 -7.883 1.00 0.00 C ATOM 336 O SER A 22 27.483 -3.538 -8.059 1.00 0.00 O ATOM 337 CB SER A 22 28.646 -6.230 -9.415 1.00 0.00 C ATOM 338 OG SER A 22 29.726 -5.615 -10.096 1.00 0.00 O ATOM 0 H SER A 22 27.981 -7.655 -7.449 1.00 0.00 H new ATOM 0 HA SER A 22 29.431 -5.154 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 22 28.792 -7.310 -9.395 1.00 0.00 H new ATOM 0 HB3 SER A 22 27.718 -6.044 -9.955 1.00 0.00 H new ATOM 0 HG SER A 22 29.784 -5.971 -11.007 1.00 0.00 H new ATOM 344 N GLU A 23 26.163 -5.302 -7.598 1.00 0.00 N ATOM 345 CA GLU A 23 24.951 -4.500 -7.473 1.00 0.00 C ATOM 346 C GLU A 23 24.811 -3.943 -6.059 1.00 0.00 C ATOM 347 O GLU A 23 24.699 -2.732 -5.866 1.00 0.00 O ATOM 348 CB GLU A 23 23.721 -5.338 -7.828 1.00 0.00 C ATOM 349 CG GLU A 23 23.868 -6.117 -9.124 1.00 0.00 C ATOM 350 CD GLU A 23 22.826 -7.209 -9.270 1.00 0.00 C ATOM 351 OE1 GLU A 23 21.631 -6.921 -9.050 1.00 0.00 O ATOM 352 OE2 GLU A 23 23.206 -8.351 -9.602 1.00 0.00 O ATOM 0 H GLU A 23 26.025 -6.302 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 23 25.025 -3.664 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.521 -6.036 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.854 -4.681 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 23 23.790 -5.430 -9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.863 -6.561 -9.166 1.00 0.00 H new ATOM 359 N LEU A 24 24.817 -4.835 -5.075 1.00 0.00 N ATOM 360 CA LEU A 24 24.689 -4.434 -3.678 1.00 0.00 C ATOM 361 C LEU A 24 25.632 -3.279 -3.355 1.00 0.00 C ATOM 362 O LEU A 24 25.218 -2.260 -2.801 1.00 0.00 O ATOM 363 CB LEU A 24 24.983 -5.619 -2.758 1.00 0.00 C ATOM 364 CG LEU A 24 24.367 -5.552 -1.360 1.00 0.00 C ATOM 365 CD1 LEU A 24 24.132 -6.951 -0.812 1.00 0.00 C ATOM 366 CD2 LEU A 24 25.260 -4.753 -0.422 1.00 0.00 C ATOM 0 H LEU A 24 24.909 -5.841 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 24 23.665 -4.100 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 24 24.630 -6.528 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 24 26.064 -5.712 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 24 23.404 -5.046 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 24 23.693 -6.883 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 24 23.453 -7.491 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 24 25.081 -7.483 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 24 24.806 -4.716 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 24 26.238 -5.231 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 24 25.377 -3.740 -0.806 1.00 0.00 H new ATOM 378 N THR A 25 26.904 -3.444 -3.707 1.00 0.00 N ATOM 379 CA THR A 25 27.906 -2.416 -3.456 1.00 0.00 C ATOM 380 C THR A 25 27.446 -1.060 -3.978 1.00 0.00 C ATOM 381 O THR A 25 27.674 -0.030 -3.345 1.00 0.00 O ATOM 382 CB THR A 25 29.254 -2.774 -4.109 1.00 0.00 C ATOM 383 OG1 THR A 25 30.249 -1.814 -3.737 1.00 0.00 O ATOM 384 CG2 THR A 25 29.127 -2.819 -5.624 1.00 0.00 C ATOM 0 H THR A 25 27.264 -4.280 -4.167 1.00 0.00 H new ATOM 0 HA THR A 25 28.037 -2.361 -2.375 1.00 0.00 H new ATOM 0 HB THR A 25 29.552 -3.761 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.103 -2.050 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.092 -3.074 -6.063 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.390 -3.572 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 25 28.808 -1.844 -5.991 1.00 0.00 H new ATOM 392 N ASP A 26 26.796 -1.068 -5.137 1.00 0.00 N ATOM 393 CA ASP A 26 26.301 0.163 -5.744 1.00 0.00 C ATOM 394 C ASP A 26 25.393 0.918 -4.779 1.00 0.00 C ATOM 395 O ASP A 26 25.255 2.138 -4.867 1.00 0.00 O ATOM 396 CB ASP A 26 25.545 -0.149 -7.037 1.00 0.00 C ATOM 397 CG ASP A 26 26.047 0.666 -8.212 1.00 0.00 C ATOM 398 OD1 ASP A 26 25.620 1.831 -8.351 1.00 0.00 O ATOM 399 OD2 ASP A 26 26.866 0.139 -8.994 1.00 0.00 O ATOM 0 H ASP A 26 26.600 -1.912 -5.675 1.00 0.00 H new ATOM 0 HA ASP A 26 27.158 0.794 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 26 25.645 -1.210 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 26 24.483 0.047 -6.890 1.00 0.00 H new ATOM 404 N ALA A 27 24.776 0.185 -3.859 1.00 0.00 N ATOM 405 CA ALA A 27 23.882 0.786 -2.877 1.00 0.00 C ATOM 406 C ALA A 27 24.658 1.295 -1.667 1.00 0.00 C ATOM 407 O ALA A 27 24.620 2.484 -1.348 1.00 0.00 O ATOM 408 CB ALA A 27 22.823 -0.218 -2.443 1.00 0.00 C ATOM 0 H ALA A 27 24.879 -0.826 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 27 23.389 1.638 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 27 22.162 0.244 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 27 22.241 -0.530 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 27 23.307 -1.088 -1.998 1.00 0.00 H new ATOM 414 N LEU A 28 25.361 0.389 -0.997 1.00 0.00 N ATOM 415 CA LEU A 28 26.146 0.746 0.180 1.00 0.00 C ATOM 416 C LEU A 28 27.184 1.810 -0.162 1.00 0.00 C ATOM 417 O LEU A 28 27.680 2.513 0.719 1.00 0.00 O ATOM 418 CB LEU A 28 26.838 -0.493 0.751 1.00 0.00 C ATOM 419 CG LEU A 28 25.969 -1.743 0.889 1.00 0.00 C ATOM 420 CD1 LEU A 28 26.710 -2.826 1.658 1.00 0.00 C ATOM 421 CD2 LEU A 28 24.653 -1.405 1.573 1.00 0.00 C ATOM 0 H LEU A 28 25.404 -0.599 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 28 25.468 1.153 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 28 27.689 -0.735 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 28 27.236 -0.241 1.734 1.00 0.00 H new ATOM 0 HG LEU A 28 25.749 -2.121 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 28 26.076 -3.708 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 28 27.625 -3.088 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 28 26.961 -2.459 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 28 24.047 -2.307 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 28 24.852 -1.001 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 28 24.115 -0.664 0.981 1.00 0.00 H new ATOM 433 N ARG A 29 27.506 1.925 -1.446 1.00 0.00 N ATOM 434 CA ARG A 29 28.485 2.904 -1.904 1.00 0.00 C ATOM 435 C ARG A 29 27.811 4.234 -2.231 1.00 0.00 C ATOM 436 O ARG A 29 28.454 5.284 -2.236 1.00 0.00 O ATOM 437 CB ARG A 29 29.226 2.380 -3.135 1.00 0.00 C ATOM 438 CG ARG A 29 28.420 2.480 -4.420 1.00 0.00 C ATOM 439 CD ARG A 29 28.698 3.784 -5.151 1.00 0.00 C ATOM 440 NE ARG A 29 29.518 3.579 -6.342 1.00 0.00 N ATOM 441 CZ ARG A 29 29.724 4.515 -7.262 1.00 0.00 C ATOM 442 NH1 ARG A 29 29.172 5.713 -7.129 1.00 0.00 N ATOM 443 NH2 ARG A 29 30.484 4.253 -8.318 1.00 0.00 N ATOM 0 H ARG A 29 27.103 1.352 -2.188 1.00 0.00 H new ATOM 0 HA ARG A 29 29.202 3.067 -1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 29 30.155 2.938 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 29 29.499 1.338 -2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 29 28.662 1.639 -5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 29 27.357 2.410 -4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 29 27.754 4.248 -5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 29 29.203 4.477 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 29 29.956 2.668 -6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 29 28.587 5.918 -6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 29 29.332 6.430 -7.837 1.00 0.00 H new ATOM 0 HH21 ARG A 29 30.910 3.332 -8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.642 4.972 -9.024 1.00 0.00 H new ATOM 457 N THR A 30 26.511 4.181 -2.504 1.00 0.00 N ATOM 458 CA THR A 30 25.750 5.380 -2.834 1.00 0.00 C ATOM 459 C THR A 30 25.191 6.039 -1.578 1.00 0.00 C ATOM 460 O THR A 30 25.017 7.258 -1.530 1.00 0.00 O ATOM 461 CB THR A 30 24.587 5.061 -3.793 1.00 0.00 C ATOM 462 OG1 THR A 30 25.100 4.623 -5.056 1.00 0.00 O ATOM 463 CG2 THR A 30 23.702 6.281 -3.995 1.00 0.00 C ATOM 0 H THR A 30 25.963 3.321 -2.503 1.00 0.00 H new ATOM 0 HA THR A 30 26.439 6.067 -3.326 1.00 0.00 H new ATOM 0 HB THR A 30 23.987 4.266 -3.350 1.00 0.00 H new ATOM 0 HG1 THR A 30 24.737 3.738 -5.267 1.00 0.00 H new ATOM 0 HG21 THR A 30 22.888 6.031 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 30 23.290 6.594 -3.036 1.00 0.00 H new ATOM 0 HG23 THR A 30 24.293 7.093 -4.418 1.00 0.00 H new ATOM 471 N LEU A 31 24.913 5.228 -0.563 1.00 0.00 N ATOM 472 CA LEU A 31 24.375 5.734 0.695 1.00 0.00 C ATOM 473 C LEU A 31 25.420 5.661 1.803 1.00 0.00 C ATOM 474 O LEU A 31 25.323 6.362 2.809 1.00 0.00 O ATOM 475 CB LEU A 31 23.132 4.937 1.097 1.00 0.00 C ATOM 476 CG LEU A 31 22.298 4.369 -0.052 1.00 0.00 C ATOM 477 CD1 LEU A 31 20.969 3.841 0.464 1.00 0.00 C ATOM 478 CD2 LEU A 31 22.074 5.428 -1.122 1.00 0.00 C ATOM 0 H LEU A 31 25.051 4.218 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 31 24.099 6.778 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.445 4.111 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.492 5.580 1.701 1.00 0.00 H new ATOM 0 HG LEU A 31 22.846 3.540 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 31 20.389 3.441 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 31 21.150 3.052 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 31 20.414 4.652 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 31 21.479 5.007 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 31 21.547 6.278 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.036 5.759 -1.513 1.00 0.00 H new ATOM 490 N GLY A 32 26.422 4.809 1.609 1.00 0.00 N ATOM 491 CA GLY A 32 27.473 4.662 2.600 1.00 0.00 C ATOM 492 C GLY A 32 28.852 4.916 2.024 1.00 0.00 C ATOM 493 O GLY A 32 29.781 5.264 2.752 1.00 0.00 O ATOM 0 H GLY A 32 26.525 4.218 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 32 27.293 5.355 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 32 27.437 3.656 3.017 1.00 0.00 H new ATOM 497 N SER A 33 28.986 4.742 0.713 1.00 0.00 N ATOM 498 CA SER A 33 30.263 4.950 0.041 1.00 0.00 C ATOM 499 C SER A 33 31.259 3.857 0.417 1.00 0.00 C ATOM 500 O SER A 33 32.468 4.090 0.461 1.00 0.00 O ATOM 501 CB SER A 33 30.835 6.323 0.400 1.00 0.00 C ATOM 502 OG SER A 33 29.799 7.255 0.655 1.00 0.00 O ATOM 0 H SER A 33 28.226 4.458 0.095 1.00 0.00 H new ATOM 0 HA SER A 33 30.091 4.906 -1.034 1.00 0.00 H new ATOM 0 HB2 SER A 33 31.475 6.236 1.278 1.00 0.00 H new ATOM 0 HB3 SER A 33 31.461 6.684 -0.416 1.00 0.00 H new ATOM 0 HG SER A 33 30.190 8.124 0.884 1.00 0.00 H new ATOM 508 N THR A 34 30.743 2.662 0.689 1.00 0.00 N ATOM 509 CA THR A 34 31.585 1.533 1.063 1.00 0.00 C ATOM 510 C THR A 34 32.031 0.749 -0.166 1.00 0.00 C ATOM 511 O THR A 34 31.806 1.173 -1.300 1.00 0.00 O ATOM 512 CB THR A 34 30.853 0.581 2.027 1.00 0.00 C ATOM 513 OG1 THR A 34 31.804 -0.171 2.789 1.00 0.00 O ATOM 514 CG2 THR A 34 29.942 -0.368 1.264 1.00 0.00 C ATOM 0 H THR A 34 29.745 2.452 0.657 1.00 0.00 H new ATOM 0 HA THR A 34 32.460 1.945 1.566 1.00 0.00 H new ATOM 0 HB THR A 34 30.242 1.182 2.701 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.677 0.012 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 34 29.436 -1.030 1.967 1.00 0.00 H new ATOM 0 HG22 THR A 34 29.201 0.207 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.535 -0.962 0.569 1.00 0.00 H new ATOM 522 N SER A 35 32.663 -0.397 0.066 1.00 0.00 N ATOM 523 CA SER A 35 33.143 -1.240 -1.023 1.00 0.00 C ATOM 524 C SER A 35 32.548 -2.641 -0.928 1.00 0.00 C ATOM 525 O SER A 35 31.690 -2.908 -0.088 1.00 0.00 O ATOM 526 CB SER A 35 34.671 -1.319 -1.000 1.00 0.00 C ATOM 527 OG SER A 35 35.248 -0.025 -0.965 1.00 0.00 O ATOM 0 H SER A 35 32.855 -0.763 0.999 1.00 0.00 H new ATOM 0 HA SER A 35 32.824 -0.792 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 35 34.996 -1.889 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.024 -1.854 -1.881 1.00 0.00 H new ATOM 0 HG SER A 35 36.225 -0.103 -0.949 1.00 0.00 H new ATOM 533 N ALA A 36 33.011 -3.534 -1.797 1.00 0.00 N ATOM 534 CA ALA A 36 32.528 -4.909 -1.811 1.00 0.00 C ATOM 535 C ALA A 36 33.022 -5.677 -0.590 1.00 0.00 C ATOM 536 O ALA A 36 32.399 -6.649 -0.162 1.00 0.00 O ATOM 537 CB ALA A 36 32.964 -5.609 -3.090 1.00 0.00 C ATOM 0 H ALA A 36 33.720 -3.329 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 36 31.439 -4.886 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 36 32.596 -6.635 -3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 36 32.556 -5.080 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 36 34.052 -5.614 -3.149 1.00 0.00 H new ATOM 543 N ASP A 37 34.146 -5.237 -0.035 1.00 0.00 N ATOM 544 CA ASP A 37 34.724 -5.883 1.138 1.00 0.00 C ATOM 545 C ASP A 37 33.676 -6.061 2.232 1.00 0.00 C ATOM 546 O ASP A 37 33.729 -7.016 3.006 1.00 0.00 O ATOM 547 CB ASP A 37 35.901 -5.064 1.670 1.00 0.00 C ATOM 548 CG ASP A 37 36.962 -5.930 2.319 1.00 0.00 C ATOM 549 OD1 ASP A 37 37.686 -6.633 1.584 1.00 0.00 O ATOM 550 OD2 ASP A 37 37.069 -5.904 3.563 1.00 0.00 O ATOM 0 H ASP A 37 34.675 -4.436 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 37 35.083 -6.868 0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 37 36.347 -4.500 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 37 35.536 -4.337 2.395 1.00 0.00 H new ATOM 555 N GLU A 38 32.725 -5.133 2.290 1.00 0.00 N ATOM 556 CA GLU A 38 31.666 -5.188 3.292 1.00 0.00 C ATOM 557 C GLU A 38 30.382 -5.757 2.695 1.00 0.00 C ATOM 558 O GLU A 38 29.523 -6.268 3.415 1.00 0.00 O ATOM 559 CB GLU A 38 31.402 -3.793 3.863 1.00 0.00 C ATOM 560 CG GLU A 38 32.663 -2.974 4.078 1.00 0.00 C ATOM 561 CD GLU A 38 33.596 -3.597 5.099 1.00 0.00 C ATOM 562 OE1 GLU A 38 33.137 -3.890 6.222 1.00 0.00 O ATOM 563 OE2 GLU A 38 34.786 -3.792 4.773 1.00 0.00 O ATOM 0 H GLU A 38 32.666 -4.336 1.656 1.00 0.00 H new ATOM 0 HA GLU A 38 31.995 -5.846 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 38 30.739 -3.253 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 38 30.877 -3.892 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 38 33.188 -2.867 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 38 32.389 -1.971 4.406 1.00 0.00 H new ATOM 570 N VAL A 39 30.258 -5.664 1.375 1.00 0.00 N ATOM 571 CA VAL A 39 29.079 -6.170 0.681 1.00 0.00 C ATOM 572 C VAL A 39 28.947 -7.679 0.851 1.00 0.00 C ATOM 573 O VAL A 39 27.943 -8.169 1.367 1.00 0.00 O ATOM 574 CB VAL A 39 29.127 -5.836 -0.822 1.00 0.00 C ATOM 575 CG1 VAL A 39 28.063 -6.617 -1.577 1.00 0.00 C ATOM 576 CG2 VAL A 39 28.958 -4.340 -1.040 1.00 0.00 C ATOM 0 H VAL A 39 30.959 -5.243 0.765 1.00 0.00 H new ATOM 0 HA VAL A 39 28.214 -5.680 1.127 1.00 0.00 H new ATOM 0 HB VAL A 39 30.102 -6.129 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 39 28.112 -6.368 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 39 28.235 -7.685 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 39 27.078 -6.358 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 39 28.994 -4.121 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 39 27.997 -4.020 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 39 29.761 -3.805 -0.533 1.00 0.00 H new ATOM 586 N GLN A 40 29.967 -8.410 0.412 1.00 0.00 N ATOM 587 CA GLN A 40 29.964 -9.865 0.516 1.00 0.00 C ATOM 588 C GLN A 40 29.670 -10.308 1.946 1.00 0.00 C ATOM 589 O GLN A 40 29.163 -11.406 2.173 1.00 0.00 O ATOM 590 CB GLN A 40 31.309 -10.432 0.060 1.00 0.00 C ATOM 591 CG GLN A 40 32.507 -9.674 0.607 1.00 0.00 C ATOM 592 CD GLN A 40 33.735 -10.550 0.754 1.00 0.00 C ATOM 593 OE1 GLN A 40 34.821 -10.198 0.293 1.00 0.00 O ATOM 594 NE2 GLN A 40 33.570 -11.699 1.398 1.00 0.00 N ATOM 0 H GLN A 40 30.805 -8.019 -0.019 1.00 0.00 H new ATOM 0 HA GLN A 40 29.177 -10.249 -0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 40 31.378 -11.475 0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 40 31.348 -10.419 -1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 40 32.738 -8.840 -0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 40 32.251 -9.249 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 40 32.652 -11.951 1.764 1.00 0.00 H new ATOM 0 HE22 GLN A 40 34.361 -12.330 1.527 1.00 0.00 H new ATOM 603 N ARG A 41 29.992 -9.446 2.905 1.00 0.00 N ATOM 604 CA ARG A 41 29.764 -9.750 4.313 1.00 0.00 C ATOM 605 C ARG A 41 28.333 -9.409 4.717 1.00 0.00 C ATOM 606 O ARG A 41 27.744 -10.073 5.571 1.00 0.00 O ATOM 607 CB ARG A 41 30.751 -8.977 5.189 1.00 0.00 C ATOM 608 CG ARG A 41 32.178 -9.002 4.668 1.00 0.00 C ATOM 609 CD ARG A 41 33.101 -8.155 5.529 1.00 0.00 C ATOM 610 NE ARG A 41 34.488 -8.605 5.452 1.00 0.00 N ATOM 611 CZ ARG A 41 35.526 -7.854 5.805 1.00 0.00 C ATOM 612 NH1 ARG A 41 35.333 -6.623 6.257 1.00 0.00 N ATOM 613 NH2 ARG A 41 36.758 -8.335 5.706 1.00 0.00 N ATOM 0 H ARG A 41 30.411 -8.532 2.733 1.00 0.00 H new ATOM 0 HA ARG A 41 29.919 -10.819 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 41 30.420 -7.941 5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 41 30.734 -9.394 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 41 32.540 -10.030 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 41 32.198 -8.635 3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 41 33.040 -7.114 5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 41 32.765 -8.192 6.565 1.00 0.00 H new ATOM 0 HE ARG A 41 34.670 -9.548 5.108 1.00 0.00 H new ATOM 0 HH11 ARG A 41 34.387 -6.251 6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 41 36.131 -6.048 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 41 36.909 -9.282 5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 41 37.554 -7.758 5.977 1.00 0.00 H new ATOM 627 N MET A 42 27.780 -8.371 4.099 1.00 0.00 N ATOM 628 CA MET A 42 26.417 -7.943 4.395 1.00 0.00 C ATOM 629 C MET A 42 25.401 -8.896 3.773 1.00 0.00 C ATOM 630 O MET A 42 24.402 -9.247 4.399 1.00 0.00 O ATOM 631 CB MET A 42 26.183 -6.522 3.880 1.00 0.00 C ATOM 632 CG MET A 42 24.727 -6.088 3.932 1.00 0.00 C ATOM 633 SD MET A 42 24.532 -4.368 4.436 1.00 0.00 S ATOM 634 CE MET A 42 25.221 -4.419 6.089 1.00 0.00 C ATOM 0 H MET A 42 28.254 -7.811 3.391 1.00 0.00 H new ATOM 0 HA MET A 42 26.285 -7.956 5.477 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.782 -5.828 4.470 1.00 0.00 H new ATOM 0 HB3 MET A 42 26.537 -6.454 2.851 1.00 0.00 H new ATOM 0 HG2 MET A 42 24.275 -6.228 2.950 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.185 -6.730 4.627 1.00 0.00 H new ATOM 0 HE1 MET A 42 24.720 -3.681 6.715 1.00 0.00 H new ATOM 0 HE2 MET A 42 25.076 -5.413 6.513 1.00 0.00 H new ATOM 0 HE3 MET A 42 26.287 -4.195 6.046 1.00 0.00 H new ATOM 644 N MET A 43 25.663 -9.309 2.537 1.00 0.00 N ATOM 645 CA MET A 43 24.771 -10.222 1.832 1.00 0.00 C ATOM 646 C MET A 43 24.949 -11.651 2.332 1.00 0.00 C ATOM 647 O MET A 43 24.033 -12.468 2.244 1.00 0.00 O ATOM 648 CB MET A 43 25.031 -10.160 0.325 1.00 0.00 C ATOM 649 CG MET A 43 26.493 -10.349 -0.047 1.00 0.00 C ATOM 650 SD MET A 43 26.769 -11.822 -1.050 1.00 0.00 S ATOM 651 CE MET A 43 25.662 -11.509 -2.424 1.00 0.00 C ATOM 0 H MET A 43 26.485 -9.026 2.004 1.00 0.00 H new ATOM 0 HA MET A 43 23.745 -9.913 2.030 1.00 0.00 H new ATOM 0 HB2 MET A 43 24.436 -10.928 -0.170 1.00 0.00 H new ATOM 0 HB3 MET A 43 24.689 -9.197 -0.055 1.00 0.00 H new ATOM 0 HG2 MET A 43 26.841 -9.472 -0.593 1.00 0.00 H new ATOM 0 HG3 MET A 43 27.090 -10.416 0.863 1.00 0.00 H new ATOM 0 HE1 MET A 43 26.133 -11.833 -3.352 1.00 0.00 H new ATOM 0 HE2 MET A 43 24.734 -12.061 -2.276 1.00 0.00 H new ATOM 0 HE3 MET A 43 25.445 -10.442 -2.481 1.00 0.00 H new ATOM 661 N ALA A 44 26.134 -11.947 2.857 1.00 0.00 N ATOM 662 CA ALA A 44 26.431 -13.277 3.373 1.00 0.00 C ATOM 663 C ALA A 44 25.453 -13.670 4.474 1.00 0.00 C ATOM 664 O ALA A 44 25.152 -14.849 4.658 1.00 0.00 O ATOM 665 CB ALA A 44 27.861 -13.336 3.889 1.00 0.00 C ATOM 0 H ALA A 44 26.904 -11.283 2.936 1.00 0.00 H new ATOM 0 HA ALA A 44 26.322 -13.989 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 44 28.069 -14.335 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 44 28.551 -13.108 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.989 -12.607 4.689 1.00 0.00 H new ATOM 671 N GLU A 45 24.960 -12.674 5.204 1.00 0.00 N ATOM 672 CA GLU A 45 24.016 -12.918 6.289 1.00 0.00 C ATOM 673 C GLU A 45 22.577 -12.797 5.796 1.00 0.00 C ATOM 674 O GLU A 45 21.678 -13.468 6.302 1.00 0.00 O ATOM 675 CB GLU A 45 24.258 -11.934 7.436 1.00 0.00 C ATOM 676 CG GLU A 45 24.304 -10.481 6.992 1.00 0.00 C ATOM 677 CD GLU A 45 24.551 -9.527 8.144 1.00 0.00 C ATOM 678 OE1 GLU A 45 24.908 -10.001 9.242 1.00 0.00 O ATOM 679 OE2 GLU A 45 24.387 -8.304 7.946 1.00 0.00 O ATOM 0 H GLU A 45 25.198 -11.692 5.064 1.00 0.00 H new ATOM 0 HA GLU A 45 24.173 -13.934 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 45 23.469 -12.053 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 45 25.198 -12.185 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 45 25.090 -10.357 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 45 23.363 -10.223 6.507 1.00 0.00 H new ATOM 686 N ILE A 46 22.368 -11.937 4.805 1.00 0.00 N ATOM 687 CA ILE A 46 21.039 -11.728 4.242 1.00 0.00 C ATOM 688 C ILE A 46 20.607 -12.921 3.396 1.00 0.00 C ATOM 689 O ILE A 46 19.436 -13.296 3.386 1.00 0.00 O ATOM 690 CB ILE A 46 20.987 -10.454 3.379 1.00 0.00 C ATOM 691 CG1 ILE A 46 21.273 -9.219 4.236 1.00 0.00 C ATOM 692 CG2 ILE A 46 19.632 -10.331 2.698 1.00 0.00 C ATOM 693 CD1 ILE A 46 21.479 -7.957 3.427 1.00 0.00 C ATOM 0 H ILE A 46 23.102 -11.374 4.375 1.00 0.00 H new ATOM 0 HA ILE A 46 20.354 -11.615 5.082 1.00 0.00 H new ATOM 0 HB ILE A 46 21.754 -10.523 2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.444 -9.067 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 46 22.162 -9.403 4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 46 19.610 -9.426 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.465 -11.199 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 46 18.848 -10.280 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 46 21.677 -7.122 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.326 -8.090 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.582 -7.748 2.844 1.00 0.00 H new ATOM 705 N ASP A 47 21.563 -13.514 2.687 1.00 0.00 N ATOM 706 CA ASP A 47 21.282 -14.665 1.838 1.00 0.00 C ATOM 707 C ASP A 47 20.674 -15.805 2.650 1.00 0.00 C ATOM 708 O ASP A 47 21.353 -16.437 3.460 1.00 0.00 O ATOM 709 CB ASP A 47 22.562 -15.142 1.149 1.00 0.00 C ATOM 710 CG ASP A 47 22.439 -15.143 -0.361 1.00 0.00 C ATOM 711 OD1 ASP A 47 21.430 -15.839 -0.874 1.00 0.00 O ATOM 712 OD2 ASP A 47 23.241 -14.524 -1.061 1.00 0.00 O ATOM 0 H ASP A 47 22.538 -13.216 2.684 1.00 0.00 H new ATOM 0 HA ASP A 47 20.562 -14.358 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 47 23.391 -14.498 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 47 22.803 -16.148 1.492 1.00 0.00 H new ATOM 717 N THR A 48 19.389 -16.063 2.427 1.00 0.00 N ATOM 718 CA THR A 48 18.688 -17.125 3.138 1.00 0.00 C ATOM 719 C THR A 48 19.127 -18.499 2.645 1.00 0.00 C ATOM 720 O THR A 48 19.061 -19.483 3.381 1.00 0.00 O ATOM 721 CB THR A 48 17.162 -16.997 2.976 1.00 0.00 C ATOM 722 OG1 THR A 48 16.720 -15.729 3.475 1.00 0.00 O ATOM 723 CG2 THR A 48 16.444 -18.116 3.715 1.00 0.00 C ATOM 0 H THR A 48 18.813 -15.551 1.759 1.00 0.00 H new ATOM 0 HA THR A 48 18.944 -17.022 4.193 1.00 0.00 H new ATOM 0 HB THR A 48 16.924 -17.072 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.749 -15.655 3.367 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.367 -18.005 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.760 -19.079 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 48 16.689 -18.067 4.776 1.00 0.00 H new ATOM 731 N ASP A 49 19.575 -18.558 1.396 1.00 0.00 N ATOM 732 CA ASP A 49 20.027 -19.812 0.804 1.00 0.00 C ATOM 733 C ASP A 49 21.525 -19.770 0.519 1.00 0.00 C ATOM 734 O ASP A 49 22.147 -20.798 0.257 1.00 0.00 O ATOM 735 CB ASP A 49 19.258 -20.098 -0.486 1.00 0.00 C ATOM 736 CG ASP A 49 18.682 -18.841 -1.108 1.00 0.00 C ATOM 737 OD1 ASP A 49 17.677 -18.325 -0.577 1.00 0.00 O ATOM 738 OD2 ASP A 49 19.236 -18.375 -2.126 1.00 0.00 O ATOM 0 H ASP A 49 19.635 -17.752 0.774 1.00 0.00 H new ATOM 0 HA ASP A 49 19.834 -20.612 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.922 -20.582 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 49 18.450 -20.799 -0.276 1.00 0.00 H new ATOM 743 N GLY A 50 22.099 -18.571 0.571 1.00 0.00 N ATOM 744 CA GLY A 50 23.519 -18.417 0.316 1.00 0.00 C ATOM 745 C GLY A 50 23.938 -19.019 -1.011 1.00 0.00 C ATOM 746 O GLY A 50 24.488 -20.119 -1.055 1.00 0.00 O ATOM 0 H GLY A 50 21.606 -17.704 0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 50 23.774 -17.357 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 50 24.083 -18.890 1.120 1.00 0.00 H new ATOM 750 N ASP A 51 23.676 -18.297 -2.095 1.00 0.00 N ATOM 751 CA ASP A 51 24.029 -18.766 -3.430 1.00 0.00 C ATOM 752 C ASP A 51 24.846 -17.716 -4.177 1.00 0.00 C ATOM 753 O ASP A 51 24.984 -17.776 -5.398 1.00 0.00 O ATOM 754 CB ASP A 51 22.768 -19.108 -4.224 1.00 0.00 C ATOM 755 CG ASP A 51 22.162 -17.894 -4.900 1.00 0.00 C ATOM 756 OD1 ASP A 51 21.391 -17.168 -4.237 1.00 0.00 O ATOM 757 OD2 ASP A 51 22.459 -17.669 -6.092 1.00 0.00 O ATOM 0 H ASP A 51 23.220 -17.385 -2.075 1.00 0.00 H new ATOM 0 HA ASP A 51 24.636 -19.665 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 51 23.009 -19.857 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 51 22.031 -19.554 -3.556 1.00 0.00 H new ATOM 762 N GLY A 52 25.385 -16.754 -3.434 1.00 0.00 N ATOM 763 CA GLY A 52 26.180 -15.704 -4.043 1.00 0.00 C ATOM 764 C GLY A 52 25.332 -14.556 -4.553 1.00 0.00 C ATOM 765 O GLY A 52 25.843 -13.627 -5.179 1.00 0.00 O ATOM 0 H GLY A 52 25.285 -16.683 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 52 26.897 -15.326 -3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 52 26.756 -16.121 -4.869 1.00 0.00 H new ATOM 769 N PHE A 53 24.032 -14.619 -4.286 1.00 0.00 N ATOM 770 CA PHE A 53 23.110 -13.578 -4.724 1.00 0.00 C ATOM 771 C PHE A 53 21.986 -13.385 -3.710 1.00 0.00 C ATOM 772 O PHE A 53 21.573 -14.330 -3.038 1.00 0.00 O ATOM 773 CB PHE A 53 22.523 -13.930 -6.092 1.00 0.00 C ATOM 774 CG PHE A 53 23.528 -13.876 -7.207 1.00 0.00 C ATOM 775 CD1 PHE A 53 24.300 -14.985 -7.516 1.00 0.00 C ATOM 776 CD2 PHE A 53 23.700 -12.718 -7.947 1.00 0.00 C ATOM 777 CE1 PHE A 53 25.225 -14.938 -8.541 1.00 0.00 C ATOM 778 CE2 PHE A 53 24.624 -12.665 -8.974 1.00 0.00 C ATOM 779 CZ PHE A 53 25.387 -13.777 -9.272 1.00 0.00 C ATOM 0 H PHE A 53 23.593 -15.380 -3.768 1.00 0.00 H new ATOM 0 HA PHE A 53 23.667 -12.645 -4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 53 22.094 -14.931 -6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 53 21.707 -13.243 -6.316 1.00 0.00 H new ATOM 0 HD1 PHE A 53 24.177 -15.896 -6.949 1.00 0.00 H new ATOM 0 HD2 PHE A 53 23.105 -11.846 -7.719 1.00 0.00 H new ATOM 0 HE1 PHE A 53 25.821 -15.809 -8.771 1.00 0.00 H new ATOM 0 HE2 PHE A 53 24.749 -11.755 -9.542 1.00 0.00 H new ATOM 0 HZ PHE A 53 26.109 -13.739 -10.075 1.00 0.00 H new ATOM 789 N ILE A 54 21.496 -12.154 -3.607 1.00 0.00 N ATOM 790 CA ILE A 54 20.420 -11.837 -2.676 1.00 0.00 C ATOM 791 C ILE A 54 19.089 -11.683 -3.406 1.00 0.00 C ATOM 792 O ILE A 54 18.849 -10.677 -4.074 1.00 0.00 O ATOM 793 CB ILE A 54 20.715 -10.544 -1.893 1.00 0.00 C ATOM 794 CG1 ILE A 54 21.894 -10.756 -0.941 1.00 0.00 C ATOM 795 CG2 ILE A 54 19.481 -10.096 -1.125 1.00 0.00 C ATOM 796 CD1 ILE A 54 21.635 -11.806 0.117 1.00 0.00 C ATOM 0 H ILE A 54 21.827 -11.361 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 54 20.354 -12.669 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 54 20.981 -9.760 -2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.771 -11.044 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.131 -9.811 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.706 -9.181 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 54 18.665 -9.909 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.186 -10.876 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 54 22.513 -11.903 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.778 -11.510 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.428 -12.763 -0.363 1.00 0.00 H new ATOM 808 N ASP A 55 18.228 -12.685 -3.271 1.00 0.00 N ATOM 809 CA ASP A 55 16.920 -12.661 -3.915 1.00 0.00 C ATOM 810 C ASP A 55 16.049 -11.552 -3.333 1.00 0.00 C ATOM 811 O ASP A 55 16.521 -10.717 -2.562 1.00 0.00 O ATOM 812 CB ASP A 55 16.223 -14.012 -3.753 1.00 0.00 C ATOM 813 CG ASP A 55 17.149 -15.179 -4.035 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.136 -14.987 -4.775 1.00 0.00 O ATOM 815 OD2 ASP A 55 16.886 -16.284 -3.516 1.00 0.00 O ATOM 0 H ASP A 55 18.412 -13.524 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 55 17.068 -12.463 -4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 55 15.834 -14.098 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 55 15.368 -14.059 -4.427 1.00 0.00 H new ATOM 820 N PHE A 56 14.774 -11.549 -3.710 1.00 0.00 N ATOM 821 CA PHE A 56 13.837 -10.542 -3.227 1.00 0.00 C ATOM 822 C PHE A 56 13.283 -10.926 -1.858 1.00 0.00 C ATOM 823 O PHE A 56 13.166 -10.086 -0.966 1.00 0.00 O ATOM 824 CB PHE A 56 12.689 -10.364 -4.223 1.00 0.00 C ATOM 825 CG PHE A 56 11.914 -9.093 -4.023 1.00 0.00 C ATOM 826 CD1 PHE A 56 11.175 -8.891 -2.869 1.00 0.00 C ATOM 827 CD2 PHE A 56 11.924 -8.101 -4.991 1.00 0.00 C ATOM 828 CE1 PHE A 56 10.460 -7.722 -2.682 1.00 0.00 C ATOM 829 CE2 PHE A 56 11.212 -6.930 -4.809 1.00 0.00 C ATOM 830 CZ PHE A 56 10.478 -6.741 -3.654 1.00 0.00 C ATOM 0 H PHE A 56 14.367 -12.233 -4.348 1.00 0.00 H new ATOM 0 HA PHE A 56 14.374 -9.599 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 56 13.092 -10.379 -5.236 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.009 -11.212 -4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.157 -9.655 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.494 -8.244 -5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.888 -7.576 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.230 -6.163 -5.569 1.00 0.00 H new ATOM 0 HZ PHE A 56 9.919 -5.828 -3.511 1.00 0.00 H new ATOM 840 N ASN A 57 12.942 -12.201 -1.701 1.00 0.00 N ATOM 841 CA ASN A 57 12.399 -12.697 -0.442 1.00 0.00 C ATOM 842 C ASN A 57 13.363 -12.430 0.710 1.00 0.00 C ATOM 843 O ASN A 57 13.061 -11.658 1.619 1.00 0.00 O ATOM 844 CB ASN A 57 12.109 -14.196 -0.543 1.00 0.00 C ATOM 845 CG ASN A 57 10.634 -14.488 -0.739 1.00 0.00 C ATOM 846 OD1 ASN A 57 9.990 -15.091 0.119 1.00 0.00 O ATOM 847 ND2 ASN A 57 10.093 -14.061 -1.874 1.00 0.00 N ATOM 0 H ASN A 57 13.032 -12.909 -2.430 1.00 0.00 H new ATOM 0 HA ASN A 57 11.468 -12.166 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.674 -14.617 -1.375 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.458 -14.692 0.363 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.105 -14.229 -2.063 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.666 -13.565 -2.557 1.00 0.00 H new ATOM 854 N GLU A 58 14.525 -13.074 0.662 1.00 0.00 N ATOM 855 CA GLU A 58 15.534 -12.906 1.702 1.00 0.00 C ATOM 856 C GLU A 58 15.829 -11.428 1.939 1.00 0.00 C ATOM 857 O GLU A 58 16.128 -11.015 3.060 1.00 0.00 O ATOM 858 CB GLU A 58 16.821 -13.639 1.318 1.00 0.00 C ATOM 859 CG GLU A 58 17.290 -13.345 -0.096 1.00 0.00 C ATOM 860 CD GLU A 58 18.083 -14.489 -0.698 1.00 0.00 C ATOM 861 OE1 GLU A 58 17.470 -15.522 -1.040 1.00 0.00 O ATOM 862 OE2 GLU A 58 19.318 -14.351 -0.826 1.00 0.00 O ATOM 0 H GLU A 58 14.791 -13.716 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 58 15.143 -13.334 2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.609 -13.362 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.663 -14.712 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.425 -13.137 -0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.905 -12.445 -0.091 1.00 0.00 H new ATOM 869 N PHE A 59 15.744 -10.635 0.876 1.00 0.00 N ATOM 870 CA PHE A 59 16.003 -9.203 0.967 1.00 0.00 C ATOM 871 C PHE A 59 15.181 -8.571 2.087 1.00 0.00 C ATOM 872 O PHE A 59 15.677 -7.730 2.837 1.00 0.00 O ATOM 873 CB PHE A 59 15.683 -8.520 -0.364 1.00 0.00 C ATOM 874 CG PHE A 59 16.342 -7.179 -0.523 1.00 0.00 C ATOM 875 CD1 PHE A 59 17.721 -7.058 -0.459 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.582 -6.040 -0.736 1.00 0.00 C ATOM 877 CE1 PHE A 59 18.330 -5.826 -0.605 1.00 0.00 C ATOM 878 CE2 PHE A 59 16.186 -4.806 -0.883 1.00 0.00 C ATOM 879 CZ PHE A 59 17.561 -4.698 -0.817 1.00 0.00 C ATOM 0 H PHE A 59 15.498 -10.960 -0.059 1.00 0.00 H new ATOM 0 HA PHE A 59 17.060 -9.064 1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 59 15.997 -9.169 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 59 14.603 -8.398 -0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.327 -7.937 -0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 59 14.506 -6.118 -0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 59 19.406 -5.745 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.583 -3.926 -1.050 1.00 0.00 H new ATOM 0 HZ PHE A 59 18.034 -3.734 -0.931 1.00 0.00 H new ATOM 889 N ILE A 60 13.922 -8.983 2.192 1.00 0.00 N ATOM 890 CA ILE A 60 13.031 -8.458 3.220 1.00 0.00 C ATOM 891 C ILE A 60 13.216 -9.200 4.539 1.00 0.00 C ATOM 892 O ILE A 60 13.006 -8.639 5.614 1.00 0.00 O ATOM 893 CB ILE A 60 11.556 -8.558 2.790 1.00 0.00 C ATOM 894 CG1 ILE A 60 11.416 -8.258 1.296 1.00 0.00 C ATOM 895 CG2 ILE A 60 10.699 -7.604 3.610 1.00 0.00 C ATOM 896 CD1 ILE A 60 9.984 -8.276 0.808 1.00 0.00 C ATOM 0 H ILE A 60 13.496 -9.678 1.579 1.00 0.00 H new ATOM 0 HA ILE A 60 13.291 -7.408 3.357 1.00 0.00 H new ATOM 0 HB ILE A 60 11.208 -9.575 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.850 -7.280 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.993 -8.990 0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.659 -7.686 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.779 -7.860 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.045 -6.582 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.960 -8.055 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.552 -9.261 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.407 -7.525 1.347 1.00 0.00 H new ATOM 908 N SER A 61 13.612 -10.466 4.449 1.00 0.00 N ATOM 909 CA SER A 61 13.824 -11.287 5.635 1.00 0.00 C ATOM 910 C SER A 61 14.769 -10.594 6.613 1.00 0.00 C ATOM 911 O SER A 61 14.492 -10.513 7.810 1.00 0.00 O ATOM 912 CB SER A 61 14.390 -12.652 5.242 1.00 0.00 C ATOM 913 OG SER A 61 14.817 -13.376 6.384 1.00 0.00 O ATOM 0 H SER A 61 13.792 -10.945 3.567 1.00 0.00 H new ATOM 0 HA SER A 61 12.861 -11.429 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.631 -13.224 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.228 -12.518 4.558 1.00 0.00 H new ATOM 0 HG SER A 61 15.173 -14.246 6.106 1.00 0.00 H new ATOM 919 N PHE A 62 15.887 -10.097 6.094 1.00 0.00 N ATOM 920 CA PHE A 62 16.874 -9.412 6.921 1.00 0.00 C ATOM 921 C PHE A 62 16.531 -7.932 7.064 1.00 0.00 C ATOM 922 O PHE A 62 16.536 -7.387 8.168 1.00 0.00 O ATOM 923 CB PHE A 62 18.271 -9.567 6.316 1.00 0.00 C ATOM 924 CG PHE A 62 19.259 -10.209 7.248 1.00 0.00 C ATOM 925 CD1 PHE A 62 19.054 -11.497 7.715 1.00 0.00 C ATOM 926 CD2 PHE A 62 20.393 -9.525 7.656 1.00 0.00 C ATOM 927 CE1 PHE A 62 19.962 -12.091 8.572 1.00 0.00 C ATOM 928 CE2 PHE A 62 21.303 -10.114 8.513 1.00 0.00 C ATOM 929 CZ PHE A 62 21.087 -11.398 8.972 1.00 0.00 C ATOM 0 H PHE A 62 16.132 -10.156 5.106 1.00 0.00 H new ATOM 0 HA PHE A 62 16.861 -9.867 7.911 1.00 0.00 H new ATOM 0 HB2 PHE A 62 18.200 -10.164 5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 62 18.643 -8.585 6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.175 -12.043 7.406 1.00 0.00 H new ATOM 0 HD2 PHE A 62 20.568 -8.520 7.300 1.00 0.00 H new ATOM 0 HE1 PHE A 62 19.791 -13.096 8.928 1.00 0.00 H new ATOM 0 HE2 PHE A 62 22.183 -9.570 8.824 1.00 0.00 H new ATOM 0 HZ PHE A 62 21.797 -11.859 9.643 1.00 0.00 H new ATOM 939 N CYS A 63 16.235 -7.288 5.941 1.00 0.00 N ATOM 940 CA CYS A 63 15.890 -5.871 5.940 1.00 0.00 C ATOM 941 C CYS A 63 14.804 -5.575 6.968 1.00 0.00 C ATOM 942 O CYS A 63 14.820 -4.531 7.619 1.00 0.00 O ATOM 943 CB CYS A 63 15.424 -5.439 4.549 1.00 0.00 C ATOM 944 SG CYS A 63 14.733 -3.769 4.487 1.00 0.00 S ATOM 0 H CYS A 63 16.227 -7.725 5.019 1.00 0.00 H new ATOM 0 HA CYS A 63 16.782 -5.305 6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.267 -5.497 3.861 1.00 0.00 H new ATOM 0 HB3 CYS A 63 14.673 -6.145 4.194 1.00 0.00 H new ATOM 0 HG CYS A 63 15.132 -3.174 3.402 1.00 0.00 H new ATOM 950 N ASN A 64 13.860 -6.500 7.107 1.00 0.00 N ATOM 951 CA ASN A 64 12.764 -6.337 8.055 1.00 0.00 C ATOM 952 C ASN A 64 13.295 -6.116 9.468 1.00 0.00 C ATOM 953 O ASN A 64 12.691 -5.397 10.264 1.00 0.00 O ATOM 954 CB ASN A 64 11.851 -7.564 8.027 1.00 0.00 C ATOM 955 CG ASN A 64 10.686 -7.441 8.991 1.00 0.00 C ATOM 956 OD1 ASN A 64 10.369 -8.379 9.721 1.00 0.00 O ATOM 957 ND2 ASN A 64 10.043 -6.279 8.996 1.00 0.00 N ATOM 0 H ASN A 64 13.832 -7.370 6.575 1.00 0.00 H new ATOM 0 HA ASN A 64 12.190 -5.459 7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.469 -7.706 7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.432 -8.452 8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.251 -6.137 9.623 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.341 -5.528 8.373 1.00 0.00 H new ATOM 964 N ALA A 65 14.428 -6.740 9.773 1.00 0.00 N ATOM 965 CA ALA A 65 15.042 -6.610 11.088 1.00 0.00 C ATOM 966 C ALA A 65 15.667 -5.230 11.269 1.00 0.00 C ATOM 967 O ALA A 65 15.978 -4.821 12.386 1.00 0.00 O ATOM 968 CB ALA A 65 16.088 -7.696 11.292 1.00 0.00 C ATOM 0 H ALA A 65 14.939 -7.341 9.127 1.00 0.00 H new ATOM 0 HA ALA A 65 14.261 -6.727 11.839 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.538 -7.587 12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.615 -8.675 11.215 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.860 -7.605 10.528 1.00 0.00 H new ATOM 974 N ASN A 66 15.849 -4.519 10.161 1.00 0.00 N ATOM 975 CA ASN A 66 16.439 -3.185 10.197 1.00 0.00 C ATOM 976 C ASN A 66 15.408 -2.125 9.821 1.00 0.00 C ATOM 977 O ASN A 66 15.377 -1.625 8.697 1.00 0.00 O ATOM 978 CB ASN A 66 17.636 -3.108 9.247 1.00 0.00 C ATOM 979 CG ASN A 66 18.857 -3.820 9.797 1.00 0.00 C ATOM 980 OD1 ASN A 66 19.933 -3.233 9.908 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.694 -5.091 10.144 1.00 0.00 N ATOM 0 H ASN A 66 15.597 -4.844 9.228 1.00 0.00 H new ATOM 0 HA ASN A 66 16.779 -2.992 11.215 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.364 -3.548 8.287 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.882 -2.063 9.060 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.480 -5.622 10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.783 -5.537 10.034 1.00 0.00 H new ATOM 988 N PRO A 67 14.544 -1.772 10.785 1.00 0.00 N ATOM 989 CA PRO A 67 13.498 -0.767 10.580 1.00 0.00 C ATOM 990 C PRO A 67 14.066 0.641 10.438 1.00 0.00 C ATOM 991 O PRO A 67 13.429 1.523 9.863 1.00 0.00 O ATOM 992 CB PRO A 67 12.648 -0.875 11.849 1.00 0.00 C ATOM 993 CG PRO A 67 13.576 -1.417 12.881 1.00 0.00 C ATOM 994 CD PRO A 67 14.524 -2.327 12.149 1.00 0.00 C ATOM 0 HA PRO A 67 12.940 -0.942 9.660 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.252 0.097 12.144 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.794 -1.535 11.699 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.115 -0.613 13.382 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.029 -1.961 13.651 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.516 -2.321 12.600 1.00 0.00 H new ATOM 0 HD3 PRO A 67 14.177 -3.360 12.158 1.00 0.00 H new ATOM 1002 N GLY A 68 15.269 0.845 10.966 1.00 0.00 N ATOM 1003 CA GLY A 68 15.902 2.149 10.887 1.00 0.00 C ATOM 1004 C GLY A 68 16.578 2.384 9.551 1.00 0.00 C ATOM 1005 O GLY A 68 16.887 3.522 9.195 1.00 0.00 O ATOM 0 H GLY A 68 15.816 0.131 11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 68 15.154 2.924 11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.639 2.241 11.685 1.00 0.00 H new ATOM 1009 N LEU A 69 16.811 1.307 8.809 1.00 0.00 N ATOM 1010 CA LEU A 69 17.457 1.401 7.505 1.00 0.00 C ATOM 1011 C LEU A 69 16.422 1.551 6.394 1.00 0.00 C ATOM 1012 O LEU A 69 16.526 2.443 5.552 1.00 0.00 O ATOM 1013 CB LEU A 69 18.319 0.164 7.250 1.00 0.00 C ATOM 1014 CG LEU A 69 19.163 0.184 5.975 1.00 0.00 C ATOM 1015 CD1 LEU A 69 20.272 -0.853 6.052 1.00 0.00 C ATOM 1016 CD2 LEU A 69 18.289 -0.057 4.753 1.00 0.00 C ATOM 0 H LEU A 69 16.562 0.358 9.088 1.00 0.00 H new ATOM 0 HA LEU A 69 18.094 2.286 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.986 0.029 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.666 -0.708 7.216 1.00 0.00 H new ATOM 0 HG LEU A 69 19.621 1.169 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 69 20.862 -0.824 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.915 -0.635 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 69 19.835 -1.845 6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 69 18.906 -0.039 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 69 17.802 -1.028 4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 69 17.531 0.724 4.688 1.00 0.00 H new ATOM 1028 N MET A 70 15.424 0.674 6.400 1.00 0.00 N ATOM 1029 CA MET A 70 14.368 0.712 5.395 1.00 0.00 C ATOM 1030 C MET A 70 13.743 2.101 5.314 1.00 0.00 C ATOM 1031 O MET A 70 13.179 2.481 4.288 1.00 0.00 O ATOM 1032 CB MET A 70 13.291 -0.326 5.717 1.00 0.00 C ATOM 1033 CG MET A 70 12.753 -0.225 7.135 1.00 0.00 C ATOM 1034 SD MET A 70 11.410 -1.385 7.454 1.00 0.00 S ATOM 1035 CE MET A 70 12.234 -2.947 7.155 1.00 0.00 C ATOM 0 H MET A 70 15.324 -0.071 7.089 1.00 0.00 H new ATOM 0 HA MET A 70 14.813 0.477 4.428 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.465 -0.210 5.015 1.00 0.00 H new ATOM 0 HB3 MET A 70 13.702 -1.324 5.564 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.563 -0.410 7.841 1.00 0.00 H new ATOM 0 HG3 MET A 70 12.400 0.791 7.314 1.00 0.00 H new ATOM 0 HE1 MET A 70 11.708 -3.492 6.371 1.00 0.00 H new ATOM 0 HE2 MET A 70 13.262 -2.762 6.842 1.00 0.00 H new ATOM 0 HE3 MET A 70 12.234 -3.539 8.070 1.00 0.00 H new ATOM 1045 N LYS A 71 13.848 2.856 6.403 1.00 0.00 N ATOM 1046 CA LYS A 71 13.294 4.204 6.455 1.00 0.00 C ATOM 1047 C LYS A 71 14.225 5.201 5.773 1.00 0.00 C ATOM 1048 O LYS A 71 13.778 6.212 5.231 1.00 0.00 O ATOM 1049 CB LYS A 71 13.057 4.624 7.908 1.00 0.00 C ATOM 1050 CG LYS A 71 11.833 3.978 8.535 1.00 0.00 C ATOM 1051 CD LYS A 71 11.495 4.609 9.875 1.00 0.00 C ATOM 1052 CE LYS A 71 12.038 3.785 11.032 1.00 0.00 C ATOM 1053 NZ LYS A 71 11.647 4.355 12.351 1.00 0.00 N ATOM 0 H LYS A 71 14.312 2.557 7.261 1.00 0.00 H new ATOM 0 HA LYS A 71 12.342 4.200 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.936 4.368 8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.948 5.708 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.983 4.077 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.012 2.911 8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.909 5.616 9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.413 4.704 9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.668 2.763 10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.125 3.737 10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.036 3.765 13.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.021 5.322 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.610 4.377 12.426 1.00 0.00 H new ATOM 1067 N ASP A 72 15.521 4.910 5.803 1.00 0.00 N ATOM 1068 CA ASP A 72 16.515 5.780 5.185 1.00 0.00 C ATOM 1069 C ASP A 72 16.700 5.433 3.711 1.00 0.00 C ATOM 1070 O ASP A 72 16.850 6.317 2.868 1.00 0.00 O ATOM 1071 CB ASP A 72 17.851 5.667 5.920 1.00 0.00 C ATOM 1072 CG ASP A 72 18.270 6.973 6.565 1.00 0.00 C ATOM 1073 OD1 ASP A 72 18.306 8.000 5.855 1.00 0.00 O ATOM 1074 OD2 ASP A 72 18.563 6.969 7.779 1.00 0.00 O ATOM 0 H ASP A 72 15.908 4.078 6.249 1.00 0.00 H new ATOM 0 HA ASP A 72 16.157 6.807 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.777 4.895 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.622 5.348 5.219 1.00 0.00 H new ATOM 1079 N VAL A 73 16.689 4.139 3.407 1.00 0.00 N ATOM 1080 CA VAL A 73 16.856 3.674 2.036 1.00 0.00 C ATOM 1081 C VAL A 73 15.639 4.021 1.186 1.00 0.00 C ATOM 1082 O VAL A 73 15.767 4.364 0.011 1.00 0.00 O ATOM 1083 CB VAL A 73 17.087 2.152 1.983 1.00 0.00 C ATOM 1084 CG1 VAL A 73 15.934 1.413 2.644 1.00 0.00 C ATOM 1085 CG2 VAL A 73 17.272 1.691 0.545 1.00 0.00 C ATOM 0 H VAL A 73 16.566 3.394 4.093 1.00 0.00 H new ATOM 0 HA VAL A 73 17.733 4.182 1.635 1.00 0.00 H new ATOM 0 HB VAL A 73 17.998 1.921 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 73 16.115 0.339 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 73 15.854 1.722 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 73 15.005 1.647 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.434 0.613 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 73 16.380 1.934 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 73 18.135 2.195 0.109 1.00 0.00 H new ATOM 1095 N ALA A 74 14.458 3.931 1.789 1.00 0.00 N ATOM 1096 CA ALA A 74 13.217 4.238 1.088 1.00 0.00 C ATOM 1097 C ALA A 74 13.029 5.744 0.940 1.00 0.00 C ATOM 1098 O ALA A 74 12.002 6.206 0.442 1.00 0.00 O ATOM 1099 CB ALA A 74 12.032 3.626 1.820 1.00 0.00 C ATOM 0 H ALA A 74 14.335 3.648 2.761 1.00 0.00 H new ATOM 0 HA ALA A 74 13.276 3.805 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.112 3.863 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.154 2.544 1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.979 4.032 2.830 1.00 0.00 H new ATOM 1105 N LYS A 75 14.026 6.506 1.377 1.00 0.00 N ATOM 1106 CA LYS A 75 13.972 7.961 1.293 1.00 0.00 C ATOM 1107 C LYS A 75 14.624 8.456 0.006 1.00 0.00 C ATOM 1108 O LYS A 75 14.245 9.495 -0.534 1.00 0.00 O ATOM 1109 CB LYS A 75 14.666 8.589 2.504 1.00 0.00 C ATOM 1110 CG LYS A 75 16.105 8.993 2.237 1.00 0.00 C ATOM 1111 CD LYS A 75 16.872 9.211 3.531 1.00 0.00 C ATOM 1112 CE LYS A 75 16.740 10.644 4.023 1.00 0.00 C ATOM 1113 NZ LYS A 75 15.609 10.800 4.980 1.00 0.00 N ATOM 0 H LYS A 75 14.882 6.140 1.793 1.00 0.00 H new ATOM 0 HA LYS A 75 12.924 8.261 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.103 9.467 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.644 7.881 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.597 8.220 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 75 16.123 9.907 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.501 8.527 4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 75 17.925 8.974 3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.669 10.949 4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.590 11.308 3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.245 11.773 4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.850 10.133 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.941 10.603 5.945 1.00 0.00 H new ATOM 1127 N VAL A 76 15.607 7.705 -0.481 1.00 0.00 N ATOM 1128 CA VAL A 76 16.311 8.067 -1.706 1.00 0.00 C ATOM 1129 C VAL A 76 16.319 6.909 -2.697 1.00 0.00 C ATOM 1130 O VAL A 76 16.283 7.116 -3.910 1.00 0.00 O ATOM 1131 CB VAL A 76 17.763 8.489 -1.415 1.00 0.00 C ATOM 1132 CG1 VAL A 76 18.557 7.320 -0.853 1.00 0.00 C ATOM 1133 CG2 VAL A 76 18.421 9.036 -2.673 1.00 0.00 C ATOM 0 H VAL A 76 15.934 6.842 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 76 15.776 8.911 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 76 17.750 9.281 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.580 7.638 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.096 6.979 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.565 6.504 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.447 9.329 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 76 18.424 8.267 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.864 9.904 -3.027 1.00 0.00 H new ATOM 1143 N PHE A 77 16.365 5.689 -2.173 1.00 0.00 N ATOM 1144 CA PHE A 77 16.378 4.496 -3.012 1.00 0.00 C ATOM 1145 C PHE A 77 14.981 3.893 -3.122 1.00 0.00 C ATOM 1146 O PHE A 77 14.343 3.970 -4.171 1.00 0.00 O ATOM 1147 CB PHE A 77 17.350 3.459 -2.445 1.00 0.00 C ATOM 1148 CG PHE A 77 18.736 3.562 -3.015 1.00 0.00 C ATOM 1149 CD1 PHE A 77 19.281 4.798 -3.327 1.00 0.00 C ATOM 1150 CD2 PHE A 77 19.495 2.425 -3.237 1.00 0.00 C ATOM 1151 CE1 PHE A 77 20.556 4.896 -3.851 1.00 0.00 C ATOM 1152 CE2 PHE A 77 20.771 2.516 -3.761 1.00 0.00 C ATOM 1153 CZ PHE A 77 21.302 3.754 -4.068 1.00 0.00 C ATOM 0 H PHE A 77 16.394 5.500 -1.171 1.00 0.00 H new ATOM 0 HA PHE A 77 16.708 4.787 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 77 17.401 3.575 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 77 16.959 2.461 -2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.703 5.694 -3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 77 19.085 1.455 -2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 77 20.969 5.865 -4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 77 21.352 1.621 -3.930 1.00 0.00 H new ATOM 0 HZ PHE A 77 22.299 3.829 -4.477 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 CA CA A 101 20.577 -8.942 -10.516 1.00 0.00 CA HETATM 1165 CA CA A 102 19.843 -16.267 -2.341 1.00 0.00 CA