USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 544 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 -146:sc= -0.399 (180deg=-0.614) USER MOD Set 1.2: A 63 CYS SG : rot 110:sc= -1.52 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 18 LYS NZ :NH3+ -135:sc= 0.406 (180deg=0.00712) USER MOD Single : A 20 SER OG : rot 94:sc= 2.08 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 70:sc= -0.745 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 66:sc= -0.141 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -49:sc= 0.619 USER MOD Single : A 40 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.52) USER MOD Single : A 42 MET CE :methyl 144:sc= -0.231 (180deg=-0.954) USER MOD Single : A 43 MET CE :methyl 162:sc= -0.0391 (180deg=-0.545) USER MOD Single : A 48 THR OG1 : rot 140:sc= -0.606 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0551 F(o=-0.67,f=-0.055) USER MOD Single : A 61 SER OG : rot 174:sc= 0.392 USER MOD Single : A 64 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.1) USER MOD Single : A 66 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 70 MET CE :methyl 147:sc= -0.997 (180deg=-2.22) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.599 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.403 -1.747 -3.079 1.00 0.00 N ATOM 24 CA ASP A 3 8.037 -1.631 -4.388 1.00 0.00 C ATOM 25 C ASP A 3 8.996 -2.791 -4.632 1.00 0.00 C ATOM 26 O ASP A 3 9.137 -3.266 -5.758 1.00 0.00 O ATOM 27 CB ASP A 3 8.785 -0.302 -4.499 1.00 0.00 C ATOM 28 CG ASP A 3 7.917 0.885 -4.128 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.588 1.029 -2.932 1.00 0.00 O ATOM 30 OD2 ASP A 3 7.568 1.669 -5.034 1.00 0.00 O ATOM 0 HA ASP A 3 7.256 -1.664 -5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.660 -0.326 -3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.149 -0.177 -5.519 1.00 0.00 H new ATOM 35 N MET A 4 9.654 -3.242 -3.568 1.00 0.00 N ATOM 36 CA MET A 4 10.600 -4.348 -3.668 1.00 0.00 C ATOM 37 C MET A 4 10.190 -5.498 -2.754 1.00 0.00 C ATOM 38 O MET A 4 10.507 -6.657 -3.020 1.00 0.00 O ATOM 39 CB MET A 4 12.010 -3.874 -3.309 1.00 0.00 C ATOM 40 CG MET A 4 12.143 -3.395 -1.872 1.00 0.00 C ATOM 41 SD MET A 4 11.755 -1.645 -1.685 1.00 0.00 S ATOM 42 CE MET A 4 13.139 -0.898 -2.542 1.00 0.00 C ATOM 0 H MET A 4 9.550 -2.859 -2.628 1.00 0.00 H new ATOM 0 HA MET A 4 10.595 -4.706 -4.698 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.713 -4.690 -3.478 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.294 -3.064 -3.981 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.480 -3.980 -1.235 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.160 -3.577 -1.525 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.404 0.041 -2.056 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.993 -1.575 -2.514 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.864 -0.705 -3.579 1.00 0.00 H new ATOM 52 N GLU A 5 9.483 -5.170 -1.677 1.00 0.00 N ATOM 53 CA GLU A 5 9.031 -6.177 -0.725 1.00 0.00 C ATOM 54 C GLU A 5 7.959 -7.069 -1.344 1.00 0.00 C ATOM 55 O GLU A 5 7.837 -8.244 -0.997 1.00 0.00 O ATOM 56 CB GLU A 5 8.486 -5.508 0.539 1.00 0.00 C ATOM 57 CG GLU A 5 9.568 -4.926 1.434 1.00 0.00 C ATOM 58 CD GLU A 5 10.025 -3.554 0.979 1.00 0.00 C ATOM 59 OE1 GLU A 5 9.240 -2.861 0.299 1.00 0.00 O ATOM 60 OE2 GLU A 5 11.170 -3.173 1.303 1.00 0.00 O ATOM 0 H GLU A 5 9.211 -4.215 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 5 9.886 -6.798 -0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.798 -4.713 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.910 -6.238 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.193 -4.860 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.423 -5.602 1.452 1.00 0.00 H new ATOM 67 N ARG A 6 7.183 -6.502 -2.261 1.00 0.00 N ATOM 68 CA ARG A 6 6.119 -7.244 -2.927 1.00 0.00 C ATOM 69 C ARG A 6 6.698 -8.303 -3.861 1.00 0.00 C ATOM 70 O ARG A 6 6.027 -9.279 -4.200 1.00 0.00 O ATOM 71 CB ARG A 6 5.219 -6.290 -3.716 1.00 0.00 C ATOM 72 CG ARG A 6 4.038 -6.978 -4.381 1.00 0.00 C ATOM 73 CD ARG A 6 3.151 -7.673 -3.360 1.00 0.00 C ATOM 74 NE ARG A 6 1.855 -8.043 -3.922 1.00 0.00 N ATOM 75 CZ ARG A 6 0.881 -7.172 -4.160 1.00 0.00 C ATOM 76 NH1 ARG A 6 1.055 -5.887 -3.887 1.00 0.00 N ATOM 77 NH2 ARG A 6 -0.270 -7.587 -4.674 1.00 0.00 N ATOM 0 H ARG A 6 7.271 -5.531 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 6 5.525 -7.744 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.847 -5.516 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.815 -5.790 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.452 -6.244 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.401 -7.707 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.654 -8.567 -2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.000 -7.016 -2.504 1.00 0.00 H new ATOM 0 HE ARG A 6 1.689 -9.025 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.939 -5.564 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.305 -5.220 -4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.407 -8.575 -4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.018 -6.918 -4.857 1.00 0.00 H new ATOM 91 N ILE A 7 7.945 -8.103 -4.273 1.00 0.00 N ATOM 92 CA ILE A 7 8.614 -9.041 -5.166 1.00 0.00 C ATOM 93 C ILE A 7 9.483 -10.020 -4.385 1.00 0.00 C ATOM 94 O ILE A 7 9.416 -11.231 -4.595 1.00 0.00 O ATOM 95 CB ILE A 7 9.488 -8.308 -6.201 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.943 -6.901 -6.455 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.551 -9.100 -7.498 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.693 -6.148 -7.532 1.00 0.00 C ATOM 0 H ILE A 7 8.513 -7.300 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 7 7.831 -9.591 -5.688 1.00 0.00 H new ATOM 0 HB ILE A 7 10.499 -8.220 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.893 -6.972 -6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.986 -6.331 -5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.172 -8.569 -8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.980 -10.083 -7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.545 -9.217 -7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.252 -5.159 -7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.739 -6.045 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.629 -6.697 -8.472 1.00 0.00 H new ATOM 110 N PHE A 8 10.299 -9.487 -3.481 1.00 0.00 N ATOM 111 CA PHE A 8 11.182 -10.314 -2.667 1.00 0.00 C ATOM 112 C PHE A 8 10.407 -11.450 -2.005 1.00 0.00 C ATOM 113 O PHE A 8 10.720 -12.625 -2.197 1.00 0.00 O ATOM 114 CB PHE A 8 11.871 -9.462 -1.598 1.00 0.00 C ATOM 115 CG PHE A 8 12.448 -10.268 -0.470 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.586 -11.035 -0.659 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.851 -10.258 0.781 1.00 0.00 C ATOM 118 CE1 PHE A 8 14.119 -11.777 0.378 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.380 -10.998 1.822 1.00 0.00 C ATOM 120 CZ PHE A 8 13.515 -11.759 1.620 1.00 0.00 C ATOM 0 H PHE A 8 10.367 -8.487 -3.294 1.00 0.00 H new ATOM 0 HA PHE A 8 11.939 -10.747 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.668 -8.882 -2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 8 11.152 -8.749 -1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.062 -11.053 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.963 -9.666 0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 8 15.007 -12.370 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.906 -10.981 2.792 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.929 -12.339 2.432 1.00 0.00 H new ATOM 130 N LYS A 9 9.394 -11.091 -1.225 1.00 0.00 N ATOM 131 CA LYS A 9 8.572 -12.078 -0.535 1.00 0.00 C ATOM 132 C LYS A 9 7.965 -13.068 -1.524 1.00 0.00 C ATOM 133 O LYS A 9 7.755 -14.236 -1.197 1.00 0.00 O ATOM 134 CB LYS A 9 7.460 -11.383 0.255 1.00 0.00 C ATOM 135 CG LYS A 9 7.877 -10.970 1.656 1.00 0.00 C ATOM 136 CD LYS A 9 7.184 -11.812 2.715 1.00 0.00 C ATOM 137 CE LYS A 9 6.830 -10.984 3.941 1.00 0.00 C ATOM 138 NZ LYS A 9 6.494 -11.842 5.111 1.00 0.00 N ATOM 0 H LYS A 9 9.122 -10.123 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 9 9.211 -12.628 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.134 -10.499 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.601 -12.051 0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.957 -11.070 1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.638 -9.918 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.278 -12.251 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.833 -12.638 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.668 -10.335 4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.984 -10.337 3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.259 -11.241 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.678 -12.444 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.310 -12.442 5.347 1.00 0.00 H new ATOM 152 N ARG A 10 7.687 -12.593 -2.733 1.00 0.00 N ATOM 153 CA ARG A 10 7.104 -13.438 -3.770 1.00 0.00 C ATOM 154 C ARG A 10 8.094 -14.509 -4.218 1.00 0.00 C ATOM 155 O ARG A 10 7.700 -15.610 -4.604 1.00 0.00 O ATOM 156 CB ARG A 10 6.677 -12.589 -4.969 1.00 0.00 C ATOM 157 CG ARG A 10 5.194 -12.688 -5.288 1.00 0.00 C ATOM 158 CD ARG A 10 4.342 -12.161 -4.144 1.00 0.00 C ATOM 159 NE ARG A 10 2.941 -12.551 -4.281 1.00 0.00 N ATOM 160 CZ ARG A 10 2.497 -13.784 -4.068 1.00 0.00 C ATOM 161 NH1 ARG A 10 3.339 -14.743 -3.709 1.00 0.00 N ATOM 162 NH2 ARG A 10 1.207 -14.060 -4.213 1.00 0.00 N ATOM 0 H ARG A 10 7.855 -11.629 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 10 6.226 -13.931 -3.352 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.929 -11.547 -4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.250 -12.897 -5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.977 -12.123 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.933 -13.727 -5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.732 -12.537 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.414 -11.074 -4.109 1.00 0.00 H new ATOM 0 HE ARG A 10 2.267 -11.837 -4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.331 -14.535 -3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.995 -15.689 -3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.556 -13.325 -4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.867 -15.007 -4.049 1.00 0.00 H new ATOM 176 N PHE A 11 9.380 -14.179 -4.165 1.00 0.00 N ATOM 177 CA PHE A 11 10.426 -15.111 -4.567 1.00 0.00 C ATOM 178 C PHE A 11 11.054 -15.783 -3.349 1.00 0.00 C ATOM 179 O PHE A 11 11.976 -16.588 -3.477 1.00 0.00 O ATOM 180 CB PHE A 11 11.504 -14.385 -5.375 1.00 0.00 C ATOM 181 CG PHE A 11 11.019 -13.881 -6.704 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.396 -14.736 -7.598 1.00 0.00 C ATOM 183 CD2 PHE A 11 11.186 -12.552 -7.058 1.00 0.00 C ATOM 184 CE1 PHE A 11 9.949 -14.274 -8.822 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.741 -12.085 -8.280 1.00 0.00 C ATOM 186 CZ PHE A 11 10.121 -12.947 -9.163 1.00 0.00 C ATOM 0 H PHE A 11 9.723 -13.272 -3.847 1.00 0.00 H new ATOM 0 HA PHE A 11 9.971 -15.881 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.880 -13.544 -4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.343 -15.061 -5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.258 -15.775 -7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.670 -11.873 -6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.466 -14.951 -9.511 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.878 -11.047 -8.544 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.771 -12.584 -10.118 1.00 0.00 H new ATOM 196 N ASP A 12 10.547 -15.445 -2.168 1.00 0.00 N ATOM 197 CA ASP A 12 11.057 -16.014 -0.926 1.00 0.00 C ATOM 198 C ASP A 12 10.008 -16.904 -0.266 1.00 0.00 C ATOM 199 O ASP A 12 9.609 -16.670 0.876 1.00 0.00 O ATOM 200 CB ASP A 12 11.478 -14.902 0.035 1.00 0.00 C ATOM 201 CG ASP A 12 12.552 -15.351 1.006 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.242 -16.171 1.895 1.00 0.00 O ATOM 203 OD2 ASP A 12 13.703 -14.883 0.877 1.00 0.00 O ATOM 0 H ASP A 12 9.783 -14.780 -2.045 1.00 0.00 H new ATOM 0 HA ASP A 12 11.928 -16.625 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.844 -14.050 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.607 -14.560 0.594 1.00 0.00 H new ATOM 208 N THR A 13 9.563 -17.925 -0.991 1.00 0.00 N ATOM 209 CA THR A 13 8.559 -18.848 -0.477 1.00 0.00 C ATOM 210 C THR A 13 9.211 -20.055 0.188 1.00 0.00 C ATOM 211 O THR A 13 8.695 -21.169 0.116 1.00 0.00 O ATOM 212 CB THR A 13 7.621 -19.338 -1.597 1.00 0.00 C ATOM 213 OG1 THR A 13 8.374 -19.608 -2.784 1.00 0.00 O ATOM 214 CG2 THR A 13 6.548 -18.302 -1.895 1.00 0.00 C ATOM 0 H THR A 13 9.882 -18.134 -1.937 1.00 0.00 H new ATOM 0 HA THR A 13 7.975 -18.300 0.263 1.00 0.00 H new ATOM 0 HB THR A 13 7.136 -20.254 -1.260 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.771 -19.921 -3.490 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.898 -18.670 -2.689 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.958 -18.121 -0.997 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.019 -17.372 -2.213 1.00 0.00 H new ATOM 255 N GLY A 17 14.475 -16.358 3.607 1.00 0.00 N ATOM 256 CA GLY A 17 15.871 -16.683 3.377 1.00 0.00 C ATOM 257 C GLY A 17 16.462 -15.910 2.215 1.00 0.00 C ATOM 258 O GLY A 17 16.921 -14.780 2.380 1.00 0.00 O ATOM 0 HA2 GLY A 17 16.444 -16.470 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.965 -17.752 3.184 1.00 0.00 H new ATOM 262 N LYS A 18 16.454 -16.522 1.035 1.00 0.00 N ATOM 263 CA LYS A 18 16.994 -15.885 -0.160 1.00 0.00 C ATOM 264 C LYS A 18 16.098 -16.146 -1.367 1.00 0.00 C ATOM 265 O LYS A 18 15.193 -16.979 -1.311 1.00 0.00 O ATOM 266 CB LYS A 18 18.408 -16.398 -0.442 1.00 0.00 C ATOM 267 CG LYS A 18 19.335 -16.316 0.759 1.00 0.00 C ATOM 268 CD LYS A 18 20.522 -17.254 0.612 1.00 0.00 C ATOM 269 CE LYS A 18 21.452 -16.806 -0.505 1.00 0.00 C ATOM 270 NZ LYS A 18 22.391 -15.743 -0.051 1.00 0.00 N ATOM 0 H LYS A 18 16.079 -17.458 0.881 1.00 0.00 H new ATOM 0 HA LYS A 18 17.032 -14.810 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.350 -17.434 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.838 -15.823 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.691 -15.292 0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.782 -16.566 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 18 21.073 -17.295 1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.166 -18.264 0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.021 -17.662 -0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 18 20.861 -16.435 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.433 -14.988 -0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.058 -15.347 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.339 -16.150 0.079 1.00 0.00 H new ATOM 284 N ILE A 19 16.357 -15.429 -2.456 1.00 0.00 N ATOM 285 CA ILE A 19 15.575 -15.585 -3.676 1.00 0.00 C ATOM 286 C ILE A 19 16.477 -15.844 -4.878 1.00 0.00 C ATOM 287 O ILE A 19 17.498 -15.180 -5.055 1.00 0.00 O ATOM 288 CB ILE A 19 14.712 -14.340 -3.955 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.602 -13.133 -4.257 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.802 -14.051 -2.771 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.827 -11.862 -4.522 1.00 0.00 C ATOM 0 H ILE A 19 17.102 -14.735 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 19 14.921 -16.444 -3.524 1.00 0.00 H new ATOM 0 HB ILE A 19 14.089 -14.536 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.276 -12.969 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.223 -13.358 -5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.198 -13.168 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.148 -14.905 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.407 -13.872 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.522 -11.048 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.173 -12.007 -5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.227 -11.613 -3.647 1.00 0.00 H new ATOM 303 N SER A 20 16.092 -16.814 -5.702 1.00 0.00 N ATOM 304 CA SER A 20 16.867 -17.162 -6.887 1.00 0.00 C ATOM 305 C SER A 20 16.831 -16.033 -7.912 1.00 0.00 C ATOM 306 O SER A 20 15.860 -15.884 -8.655 1.00 0.00 O ATOM 307 CB SER A 20 16.330 -18.451 -7.512 1.00 0.00 C ATOM 308 OG SER A 20 17.369 -19.395 -7.708 1.00 0.00 O ATOM 0 H SER A 20 15.249 -17.372 -5.571 1.00 0.00 H new ATOM 0 HA SER A 20 17.902 -17.318 -6.581 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.563 -18.879 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.855 -18.225 -8.467 1.00 0.00 H new ATOM 0 HG SER A 20 17.419 -19.992 -6.933 1.00 0.00 H new ATOM 314 N LEU A 21 17.895 -15.238 -7.945 1.00 0.00 N ATOM 315 CA LEU A 21 17.986 -14.121 -8.878 1.00 0.00 C ATOM 316 C LEU A 21 17.643 -14.566 -10.296 1.00 0.00 C ATOM 317 O LEU A 21 16.865 -13.913 -10.991 1.00 0.00 O ATOM 318 CB LEU A 21 19.392 -13.519 -8.847 1.00 0.00 C ATOM 319 CG LEU A 21 20.503 -14.433 -8.329 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.746 -14.307 -9.196 1.00 0.00 C ATOM 321 CD2 LEU A 21 20.828 -14.109 -6.878 1.00 0.00 C ATOM 0 H LEU A 21 18.706 -15.346 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 21 17.265 -13.363 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.652 -13.201 -9.857 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.368 -12.623 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 21 20.152 -15.464 -8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.526 -14.965 -8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.505 -14.590 -10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 21 22.099 -13.276 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.621 -14.769 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 21 21.158 -13.073 -6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.938 -14.252 -6.265 1.00 0.00 H new ATOM 333 N SER A 22 18.228 -15.683 -10.718 1.00 0.00 N ATOM 334 CA SER A 22 17.985 -16.216 -12.054 1.00 0.00 C ATOM 335 C SER A 22 16.489 -16.302 -12.341 1.00 0.00 C ATOM 336 O SER A 22 16.059 -16.179 -13.487 1.00 0.00 O ATOM 337 CB SER A 22 18.624 -17.598 -12.199 1.00 0.00 C ATOM 338 OG SER A 22 17.932 -18.382 -13.155 1.00 0.00 O ATOM 0 H SER A 22 18.873 -16.236 -10.154 1.00 0.00 H new ATOM 0 HA SER A 22 18.437 -15.537 -12.777 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.667 -17.490 -12.498 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.620 -18.107 -11.235 1.00 0.00 H new ATOM 0 HG SER A 22 18.361 -19.260 -13.230 1.00 0.00 H new ATOM 344 N GLU A 23 15.702 -16.514 -11.290 1.00 0.00 N ATOM 345 CA GLU A 23 14.255 -16.617 -11.429 1.00 0.00 C ATOM 346 C GLU A 23 13.607 -15.236 -11.424 1.00 0.00 C ATOM 347 O GLU A 23 12.582 -15.015 -12.070 1.00 0.00 O ATOM 348 CB GLU A 23 13.671 -17.470 -10.301 1.00 0.00 C ATOM 349 CG GLU A 23 12.355 -18.139 -10.662 1.00 0.00 C ATOM 350 CD GLU A 23 12.507 -19.167 -11.767 1.00 0.00 C ATOM 351 OE1 GLU A 23 13.602 -19.754 -11.886 1.00 0.00 O ATOM 352 OE2 GLU A 23 11.529 -19.383 -12.512 1.00 0.00 O ATOM 0 H GLU A 23 16.043 -16.618 -10.334 1.00 0.00 H new ATOM 0 HA GLU A 23 14.042 -17.096 -12.385 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.395 -18.237 -10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.521 -16.842 -9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.942 -18.622 -9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.639 -17.379 -10.974 1.00 0.00 H new ATOM 359 N LEU A 24 14.213 -14.308 -10.690 1.00 0.00 N ATOM 360 CA LEU A 24 13.696 -12.947 -10.599 1.00 0.00 C ATOM 361 C LEU A 24 13.929 -12.188 -11.902 1.00 0.00 C ATOM 362 O LEU A 24 12.993 -11.653 -12.497 1.00 0.00 O ATOM 363 CB LEU A 24 14.360 -12.205 -9.438 1.00 0.00 C ATOM 364 CG LEU A 24 13.802 -10.817 -9.121 1.00 0.00 C ATOM 365 CD1 LEU A 24 13.993 -10.488 -7.649 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.465 -9.764 -9.996 1.00 0.00 C ATOM 0 H LEU A 24 15.062 -14.474 -10.150 1.00 0.00 H new ATOM 0 HA LEU A 24 12.622 -13.004 -10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.275 -12.822 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.423 -12.106 -9.657 1.00 0.00 H new ATOM 0 HG LEU A 24 12.733 -10.818 -9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.590 -9.497 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.471 -11.226 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.056 -10.505 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.056 -8.782 -9.757 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.540 -9.764 -9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.275 -9.991 -11.045 1.00 0.00 H new ATOM 378 N THR A 25 15.183 -12.146 -12.340 1.00 0.00 N ATOM 379 CA THR A 25 15.539 -11.454 -13.572 1.00 0.00 C ATOM 380 C THR A 25 14.687 -11.938 -14.740 1.00 0.00 C ATOM 381 O THR A 25 14.464 -11.204 -15.704 1.00 0.00 O ATOM 382 CB THR A 25 17.026 -11.655 -13.919 1.00 0.00 C ATOM 383 OG1 THR A 25 17.346 -10.956 -15.128 1.00 0.00 O ATOM 384 CG2 THR A 25 17.350 -13.132 -14.081 1.00 0.00 C ATOM 0 H THR A 25 15.969 -12.583 -11.860 1.00 0.00 H new ATOM 0 HA THR A 25 15.352 -10.393 -13.404 1.00 0.00 H new ATOM 0 HB THR A 25 17.624 -11.256 -13.100 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.322 -9.990 -14.964 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.406 -13.248 -14.326 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.134 -13.656 -13.150 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.743 -13.552 -14.883 1.00 0.00 H new ATOM 392 N ASP A 26 14.213 -13.175 -14.648 1.00 0.00 N ATOM 393 CA ASP A 26 13.383 -13.756 -15.697 1.00 0.00 C ATOM 394 C ASP A 26 11.902 -13.603 -15.366 1.00 0.00 C ATOM 395 O ASP A 26 11.047 -13.678 -16.248 1.00 0.00 O ATOM 396 CB ASP A 26 13.725 -15.234 -15.888 1.00 0.00 C ATOM 397 CG ASP A 26 13.373 -15.736 -17.275 1.00 0.00 C ATOM 398 OD1 ASP A 26 13.503 -14.953 -18.240 1.00 0.00 O ATOM 399 OD2 ASP A 26 12.969 -16.911 -17.396 1.00 0.00 O ATOM 0 H ASP A 26 14.389 -13.795 -13.858 1.00 0.00 H new ATOM 0 HA ASP A 26 13.587 -13.221 -16.625 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.790 -15.383 -15.710 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.192 -15.826 -15.144 1.00 0.00 H new ATOM 404 N ALA A 27 11.606 -13.388 -14.088 1.00 0.00 N ATOM 405 CA ALA A 27 10.228 -13.224 -13.640 1.00 0.00 C ATOM 406 C ALA A 27 9.856 -11.748 -13.540 1.00 0.00 C ATOM 407 O ALA A 27 8.924 -11.380 -12.824 1.00 0.00 O ATOM 408 CB ALA A 27 10.023 -13.914 -12.300 1.00 0.00 C ATOM 0 H ALA A 27 12.302 -13.323 -13.345 1.00 0.00 H new ATOM 0 HA ALA A 27 9.574 -13.688 -14.378 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.990 -13.783 -11.978 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.240 -14.977 -12.401 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.692 -13.476 -11.559 1.00 0.00 H new ATOM 414 N LEU A 28 10.591 -10.908 -14.260 1.00 0.00 N ATOM 415 CA LEU A 28 10.338 -9.471 -14.251 1.00 0.00 C ATOM 416 C LEU A 28 9.576 -9.044 -15.502 1.00 0.00 C ATOM 417 O LEU A 28 8.507 -8.441 -15.413 1.00 0.00 O ATOM 418 CB LEU A 28 11.657 -8.702 -14.157 1.00 0.00 C ATOM 419 CG LEU A 28 12.162 -8.406 -12.744 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.682 -8.429 -12.705 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.634 -7.063 -12.260 1.00 0.00 C ATOM 0 H LEU A 28 11.366 -11.196 -14.857 1.00 0.00 H new ATOM 0 HA LEU A 28 9.726 -9.240 -13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.424 -9.270 -14.684 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.541 -7.756 -14.686 1.00 0.00 H new ATOM 0 HG LEU A 28 11.790 -9.182 -12.075 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.023 -8.216 -11.692 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.039 -9.413 -13.009 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.075 -7.674 -13.386 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.003 -6.868 -11.253 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.976 -6.275 -12.930 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.544 -7.083 -12.249 1.00 0.00 H new ATOM 433 N ARG A 29 10.132 -9.364 -16.665 1.00 0.00 N ATOM 434 CA ARG A 29 9.505 -9.015 -17.934 1.00 0.00 C ATOM 435 C ARG A 29 8.081 -9.559 -18.004 1.00 0.00 C ATOM 436 O ARG A 29 7.209 -8.970 -18.645 1.00 0.00 O ATOM 437 CB ARG A 29 10.328 -9.560 -19.102 1.00 0.00 C ATOM 438 CG ARG A 29 9.805 -9.139 -20.466 1.00 0.00 C ATOM 439 CD ARG A 29 10.465 -9.929 -21.584 1.00 0.00 C ATOM 440 NE ARG A 29 9.677 -9.901 -22.813 1.00 0.00 N ATOM 441 CZ ARG A 29 9.954 -10.640 -23.882 1.00 0.00 C ATOM 442 NH1 ARG A 29 10.995 -11.462 -23.871 1.00 0.00 N ATOM 443 NH2 ARG A 29 9.190 -10.559 -24.963 1.00 0.00 N ATOM 0 H ARG A 29 11.016 -9.865 -16.755 1.00 0.00 H new ATOM 0 HA ARG A 29 9.465 -7.928 -18.003 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.359 -9.222 -18.998 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.343 -10.649 -19.048 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.726 -9.285 -20.504 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.988 -8.075 -20.614 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.457 -9.521 -21.780 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.603 -10.962 -21.265 1.00 0.00 H new ATOM 0 HE ARG A 29 8.869 -9.280 -22.853 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.584 -11.528 -23.041 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.206 -12.029 -24.692 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.388 -9.929 -24.975 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.404 -11.127 -25.783 1.00 0.00 H new ATOM 457 N THR A 30 7.851 -10.688 -17.341 1.00 0.00 N ATOM 458 CA THR A 30 6.534 -11.313 -17.329 1.00 0.00 C ATOM 459 C THR A 30 5.508 -10.419 -16.643 1.00 0.00 C ATOM 460 O THR A 30 4.374 -10.289 -17.107 1.00 0.00 O ATOM 461 CB THR A 30 6.567 -12.678 -16.617 1.00 0.00 C ATOM 462 OG1 THR A 30 5.256 -13.255 -16.603 1.00 0.00 O ATOM 463 CG2 THR A 30 7.077 -12.533 -15.191 1.00 0.00 C ATOM 0 H THR A 30 8.560 -11.188 -16.805 1.00 0.00 H new ATOM 0 HA THR A 30 6.245 -11.461 -18.369 1.00 0.00 H new ATOM 0 HB THR A 30 7.246 -13.332 -17.164 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.286 -14.123 -16.150 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.091 -13.510 -14.709 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.086 -12.121 -15.206 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.420 -11.864 -14.636 1.00 0.00 H new ATOM 471 N LEU A 31 5.911 -9.804 -15.537 1.00 0.00 N ATOM 472 CA LEU A 31 5.026 -8.920 -14.786 1.00 0.00 C ATOM 473 C LEU A 31 4.707 -7.661 -15.587 1.00 0.00 C ATOM 474 O LEU A 31 3.697 -7.001 -15.347 1.00 0.00 O ATOM 475 CB LEU A 31 5.665 -8.540 -13.450 1.00 0.00 C ATOM 476 CG LEU A 31 6.364 -9.671 -12.695 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.128 -9.123 -11.499 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.355 -10.720 -12.250 1.00 0.00 C ATOM 0 H LEU A 31 6.845 -9.901 -15.140 1.00 0.00 H new ATOM 0 HA LEU A 31 4.095 -9.454 -14.597 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.391 -7.747 -13.630 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.891 -8.124 -12.805 1.00 0.00 H new ATOM 0 HG LEU A 31 7.077 -10.145 -13.370 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.619 -9.943 -10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.878 -8.411 -11.842 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.435 -8.623 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.871 -11.517 -11.714 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.617 -10.260 -11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.853 -11.136 -13.124 1.00 0.00 H new ATOM 490 N GLY A 32 5.575 -7.336 -16.540 1.00 0.00 N ATOM 491 CA GLY A 32 5.367 -6.159 -17.363 1.00 0.00 C ATOM 492 C GLY A 32 6.669 -5.561 -17.858 1.00 0.00 C ATOM 493 O GLY A 32 6.704 -4.916 -18.906 1.00 0.00 O ATOM 0 H GLY A 32 6.419 -7.867 -16.757 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.744 -6.422 -18.217 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.821 -5.410 -16.789 1.00 0.00 H new ATOM 497 N SER A 33 7.741 -5.772 -17.102 1.00 0.00 N ATOM 498 CA SER A 33 9.050 -5.244 -17.467 1.00 0.00 C ATOM 499 C SER A 33 9.403 -5.614 -18.904 1.00 0.00 C ATOM 500 O SER A 33 8.723 -6.424 -19.535 1.00 0.00 O ATOM 501 CB SER A 33 10.122 -5.775 -16.513 1.00 0.00 C ATOM 502 OG SER A 33 9.570 -6.078 -15.244 1.00 0.00 O ATOM 0 H SER A 33 7.729 -6.305 -16.233 1.00 0.00 H new ATOM 0 HA SER A 33 9.011 -4.157 -17.389 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.580 -6.669 -16.937 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.913 -5.034 -16.401 1.00 0.00 H new ATOM 0 HG SER A 33 8.947 -6.829 -15.329 1.00 0.00 H new ATOM 508 N THR A 34 10.474 -5.015 -19.417 1.00 0.00 N ATOM 509 CA THR A 34 10.918 -5.279 -20.780 1.00 0.00 C ATOM 510 C THR A 34 12.427 -5.491 -20.835 1.00 0.00 C ATOM 511 O THR A 34 12.905 -6.479 -21.392 1.00 0.00 O ATOM 512 CB THR A 34 10.538 -4.126 -21.728 1.00 0.00 C ATOM 513 OG1 THR A 34 9.679 -3.200 -21.054 1.00 0.00 O ATOM 514 CG2 THR A 34 9.843 -4.657 -22.973 1.00 0.00 C ATOM 0 H THR A 34 11.050 -4.344 -18.909 1.00 0.00 H new ATOM 0 HA THR A 34 10.414 -6.189 -21.106 1.00 0.00 H new ATOM 0 HB THR A 34 11.453 -3.617 -22.031 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.444 -2.469 -21.663 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.584 -3.825 -23.628 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.511 -5.339 -23.500 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.936 -5.188 -22.685 1.00 0.00 H new ATOM 522 N SER A 35 13.172 -4.557 -20.252 1.00 0.00 N ATOM 523 CA SER A 35 14.628 -4.640 -20.238 1.00 0.00 C ATOM 524 C SER A 35 15.115 -5.423 -19.022 1.00 0.00 C ATOM 525 O SER A 35 15.991 -4.967 -18.287 1.00 0.00 O ATOM 526 CB SER A 35 15.240 -3.238 -20.234 1.00 0.00 C ATOM 527 OG SER A 35 16.656 -3.299 -20.212 1.00 0.00 O ATOM 0 H SER A 35 12.792 -3.735 -19.783 1.00 0.00 H new ATOM 0 HA SER A 35 14.946 -5.165 -21.139 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.910 -2.691 -21.118 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.883 -2.685 -19.365 1.00 0.00 H new ATOM 0 HG SER A 35 16.946 -3.920 -19.511 1.00 0.00 H new ATOM 533 N ALA A 36 14.541 -6.604 -18.818 1.00 0.00 N ATOM 534 CA ALA A 36 14.918 -7.452 -17.694 1.00 0.00 C ATOM 535 C ALA A 36 16.380 -7.875 -17.790 1.00 0.00 C ATOM 536 O ALA A 36 16.989 -8.267 -16.795 1.00 0.00 O ATOM 537 CB ALA A 36 14.015 -8.676 -17.631 1.00 0.00 C ATOM 0 H ALA A 36 13.813 -6.995 -19.416 1.00 0.00 H new ATOM 0 HA ALA A 36 14.794 -6.875 -16.778 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.307 -9.301 -16.787 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.980 -8.358 -17.506 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.110 -9.246 -18.555 1.00 0.00 H new ATOM 543 N ASP A 37 16.936 -7.793 -18.994 1.00 0.00 N ATOM 544 CA ASP A 37 18.327 -8.167 -19.220 1.00 0.00 C ATOM 545 C ASP A 37 19.273 -7.134 -18.614 1.00 0.00 C ATOM 546 O ASP A 37 20.485 -7.342 -18.567 1.00 0.00 O ATOM 547 CB ASP A 37 18.602 -8.311 -20.718 1.00 0.00 C ATOM 548 CG ASP A 37 19.846 -9.130 -21.002 1.00 0.00 C ATOM 549 OD1 ASP A 37 20.957 -8.561 -20.942 1.00 0.00 O ATOM 550 OD2 ASP A 37 19.709 -10.338 -21.283 1.00 0.00 O ATOM 0 H ASP A 37 16.445 -7.471 -19.828 1.00 0.00 H new ATOM 0 HA ASP A 37 18.503 -9.126 -18.732 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.744 -8.781 -21.199 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.713 -7.321 -21.161 1.00 0.00 H new ATOM 555 N GLU A 38 18.710 -6.022 -18.154 1.00 0.00 N ATOM 556 CA GLU A 38 19.504 -4.956 -17.553 1.00 0.00 C ATOM 557 C GLU A 38 20.395 -5.503 -16.442 1.00 0.00 C ATOM 558 O GLU A 38 21.475 -4.973 -16.180 1.00 0.00 O ATOM 559 CB GLU A 38 18.591 -3.861 -16.997 1.00 0.00 C ATOM 560 CG GLU A 38 17.716 -4.324 -15.844 1.00 0.00 C ATOM 561 CD GLU A 38 17.088 -3.170 -15.088 1.00 0.00 C ATOM 562 OE1 GLU A 38 17.839 -2.294 -14.610 1.00 0.00 O ATOM 563 OE2 GLU A 38 15.845 -3.143 -14.974 1.00 0.00 O ATOM 0 H GLU A 38 17.708 -5.835 -18.186 1.00 0.00 H new ATOM 0 HA GLU A 38 20.140 -4.529 -18.329 1.00 0.00 H new ATOM 0 HB2 GLU A 38 19.204 -3.024 -16.663 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.953 -3.489 -17.799 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.929 -4.973 -16.228 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.314 -4.921 -15.156 1.00 0.00 H new ATOM 570 N VAL A 39 19.935 -6.566 -15.791 1.00 0.00 N ATOM 571 CA VAL A 39 20.690 -7.186 -14.708 1.00 0.00 C ATOM 572 C VAL A 39 20.911 -8.671 -14.972 1.00 0.00 C ATOM 573 O VAL A 39 21.798 -9.290 -14.385 1.00 0.00 O ATOM 574 CB VAL A 39 19.973 -7.017 -13.356 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.552 -7.553 -13.434 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.753 -7.712 -12.250 1.00 0.00 C ATOM 0 H VAL A 39 19.043 -7.016 -15.994 1.00 0.00 H new ATOM 0 HA VAL A 39 21.655 -6.680 -14.665 1.00 0.00 H new ATOM 0 HB VAL A 39 19.922 -5.954 -13.122 1.00 0.00 H new ATOM 0 HG11 VAL A 39 18.061 -7.425 -12.469 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.999 -7.007 -14.198 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.576 -8.612 -13.691 1.00 0.00 H new ATOM 0 HG21 VAL A 39 20.232 -7.583 -11.301 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.836 -8.775 -12.476 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.750 -7.277 -12.179 1.00 0.00 H new ATOM 586 N GLN A 40 20.099 -9.236 -15.860 1.00 0.00 N ATOM 587 CA GLN A 40 20.206 -10.650 -16.201 1.00 0.00 C ATOM 588 C GLN A 40 21.627 -11.001 -16.628 1.00 0.00 C ATOM 589 O GLN A 40 22.047 -12.154 -16.534 1.00 0.00 O ATOM 590 CB GLN A 40 19.223 -11.002 -17.320 1.00 0.00 C ATOM 591 CG GLN A 40 18.788 -12.458 -17.311 1.00 0.00 C ATOM 592 CD GLN A 40 19.371 -13.248 -18.467 1.00 0.00 C ATOM 593 OE1 GLN A 40 19.501 -12.737 -19.580 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.726 -14.501 -18.209 1.00 0.00 N ATOM 0 H GLN A 40 19.361 -8.737 -16.356 1.00 0.00 H new ATOM 0 HA GLN A 40 19.959 -11.232 -15.313 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.341 -10.367 -17.231 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.683 -10.775 -18.282 1.00 0.00 H new ATOM 0 HG2 GLN A 40 19.092 -12.918 -16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.700 -12.509 -17.353 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.601 -14.884 -17.272 1.00 0.00 H new ATOM 0 HE22 GLN A 40 20.124 -15.081 -18.948 1.00 0.00 H new ATOM 603 N ARG A 41 22.363 -9.998 -17.098 1.00 0.00 N ATOM 604 CA ARG A 41 23.737 -10.202 -17.540 1.00 0.00 C ATOM 605 C ARG A 41 24.726 -9.655 -16.514 1.00 0.00 C ATOM 606 O ARG A 41 25.932 -9.874 -16.622 1.00 0.00 O ATOM 607 CB ARG A 41 23.965 -9.526 -18.894 1.00 0.00 C ATOM 608 CG ARG A 41 23.808 -8.015 -18.854 1.00 0.00 C ATOM 609 CD ARG A 41 24.964 -7.317 -19.555 1.00 0.00 C ATOM 610 NE ARG A 41 26.252 -7.659 -18.959 1.00 0.00 N ATOM 611 CZ ARG A 41 27.413 -7.180 -19.393 1.00 0.00 C ATOM 612 NH1 ARG A 41 27.446 -6.344 -20.421 1.00 0.00 N ATOM 613 NH2 ARG A 41 28.544 -7.539 -18.799 1.00 0.00 N ATOM 0 H ARG A 41 22.031 -9.037 -17.182 1.00 0.00 H new ATOM 0 HA ARG A 41 23.903 -11.274 -17.643 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.967 -9.770 -19.248 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.262 -9.937 -19.619 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.869 -7.733 -19.329 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.754 -7.681 -17.818 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.968 -7.593 -20.610 1.00 0.00 H new ATOM 0 HD3 ARG A 41 24.818 -6.238 -19.508 1.00 0.00 H new ATOM 0 HE ARG A 41 26.261 -8.301 -18.166 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.579 -6.067 -20.881 1.00 0.00 H new ATOM 0 HH12 ARG A 41 28.339 -5.978 -20.752 1.00 0.00 H new ATOM 0 HH21 ARG A 41 28.523 -8.183 -18.008 1.00 0.00 H new ATOM 0 HH22 ARG A 41 29.435 -7.171 -19.133 1.00 0.00 H new ATOM 627 N MET A 42 24.205 -8.942 -15.521 1.00 0.00 N ATOM 628 CA MET A 42 25.042 -8.365 -14.475 1.00 0.00 C ATOM 629 C MET A 42 24.389 -8.524 -13.106 1.00 0.00 C ATOM 630 O MET A 42 24.285 -7.564 -12.343 1.00 0.00 O ATOM 631 CB MET A 42 25.302 -6.884 -14.760 1.00 0.00 C ATOM 632 CG MET A 42 25.963 -6.632 -16.106 1.00 0.00 C ATOM 633 SD MET A 42 26.933 -5.112 -16.129 1.00 0.00 S ATOM 634 CE MET A 42 26.293 -4.323 -17.603 1.00 0.00 C ATOM 0 H MET A 42 23.209 -8.750 -15.418 1.00 0.00 H new ATOM 0 HA MET A 42 25.992 -8.899 -14.469 1.00 0.00 H new ATOM 0 HB2 MET A 42 24.356 -6.343 -14.722 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.934 -6.476 -13.972 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.609 -7.475 -16.353 1.00 0.00 H new ATOM 0 HG3 MET A 42 25.196 -6.581 -16.879 1.00 0.00 H new ATOM 0 HE1 MET A 42 26.252 -3.245 -17.450 1.00 0.00 H new ATOM 0 HE2 MET A 42 26.946 -4.545 -18.447 1.00 0.00 H new ATOM 0 HE3 MET A 42 25.291 -4.698 -17.811 1.00 0.00 H new ATOM 644 N MET A 43 23.950 -9.741 -12.802 1.00 0.00 N ATOM 645 CA MET A 43 23.308 -10.025 -11.524 1.00 0.00 C ATOM 646 C MET A 43 24.299 -10.643 -10.543 1.00 0.00 C ATOM 647 O MET A 43 24.117 -10.562 -9.329 1.00 0.00 O ATOM 648 CB MET A 43 22.117 -10.964 -11.725 1.00 0.00 C ATOM 649 CG MET A 43 21.149 -10.977 -10.553 1.00 0.00 C ATOM 650 SD MET A 43 19.436 -10.747 -11.065 1.00 0.00 S ATOM 651 CE MET A 43 18.837 -9.666 -9.769 1.00 0.00 C ATOM 0 H MET A 43 24.027 -10.546 -13.423 1.00 0.00 H new ATOM 0 HA MET A 43 22.952 -9.083 -11.107 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.580 -10.668 -12.626 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.487 -11.976 -11.892 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.241 -11.924 -10.021 1.00 0.00 H new ATOM 0 HG3 MET A 43 21.423 -10.189 -9.851 1.00 0.00 H new ATOM 0 HE1 MET A 43 17.918 -9.180 -10.096 1.00 0.00 H new ATOM 0 HE2 MET A 43 18.638 -10.250 -8.871 1.00 0.00 H new ATOM 0 HE3 MET A 43 19.590 -8.909 -9.550 1.00 0.00 H new ATOM 661 N ALA A 44 25.347 -11.261 -11.078 1.00 0.00 N ATOM 662 CA ALA A 44 26.367 -11.892 -10.249 1.00 0.00 C ATOM 663 C ALA A 44 27.570 -10.973 -10.065 1.00 0.00 C ATOM 664 O ALA A 44 28.521 -11.315 -9.364 1.00 0.00 O ATOM 665 CB ALA A 44 26.799 -13.216 -10.861 1.00 0.00 C ATOM 0 H ALA A 44 25.512 -11.338 -12.082 1.00 0.00 H new ATOM 0 HA ALA A 44 25.936 -12.083 -9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.561 -13.676 -10.232 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.938 -13.881 -10.934 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.208 -13.041 -11.856 1.00 0.00 H new ATOM 671 N GLU A 45 27.520 -9.806 -10.701 1.00 0.00 N ATOM 672 CA GLU A 45 28.608 -8.840 -10.608 1.00 0.00 C ATOM 673 C GLU A 45 28.172 -7.603 -9.827 1.00 0.00 C ATOM 674 O GLU A 45 28.818 -6.557 -9.890 1.00 0.00 O ATOM 675 CB GLU A 45 29.080 -8.434 -12.006 1.00 0.00 C ATOM 676 CG GLU A 45 28.067 -7.599 -12.772 1.00 0.00 C ATOM 677 CD GLU A 45 28.621 -7.063 -14.078 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.528 -7.776 -15.099 1.00 0.00 O ATOM 679 OE2 GLU A 45 29.147 -5.930 -14.078 1.00 0.00 O ATOM 0 H GLU A 45 26.739 -9.508 -11.285 1.00 0.00 H new ATOM 0 HA GLU A 45 29.434 -9.312 -10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 45 30.009 -7.871 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.305 -9.333 -12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.184 -8.204 -12.977 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.744 -6.765 -12.149 1.00 0.00 H new ATOM 686 N ILE A 46 27.072 -7.732 -9.093 1.00 0.00 N ATOM 687 CA ILE A 46 26.550 -6.626 -8.300 1.00 0.00 C ATOM 688 C ILE A 46 26.573 -6.958 -6.812 1.00 0.00 C ATOM 689 O ILE A 46 26.582 -6.064 -5.966 1.00 0.00 O ATOM 690 CB ILE A 46 25.110 -6.268 -8.713 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.287 -7.540 -8.927 1.00 0.00 C ATOM 692 CG2 ILE A 46 25.116 -5.416 -9.973 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.909 -7.480 -8.305 1.00 0.00 C ATOM 0 H ILE A 46 26.525 -8.591 -9.031 1.00 0.00 H new ATOM 0 HA ILE A 46 27.197 -5.769 -8.489 1.00 0.00 H new ATOM 0 HB ILE A 46 24.650 -5.691 -7.911 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.186 -7.722 -9.997 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.829 -8.388 -8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 46 24.091 -5.171 -10.252 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.671 -4.496 -9.788 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.590 -5.969 -10.784 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.382 -8.415 -8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 46 23.002 -7.329 -7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.349 -6.653 -8.741 1.00 0.00 H new ATOM 705 N ASP A 47 26.585 -8.249 -6.500 1.00 0.00 N ATOM 706 CA ASP A 47 26.611 -8.700 -5.113 1.00 0.00 C ATOM 707 C ASP A 47 26.613 -10.224 -5.037 1.00 0.00 C ATOM 708 O ASP A 47 27.476 -10.824 -4.396 1.00 0.00 O ATOM 709 CB ASP A 47 25.409 -8.141 -4.350 1.00 0.00 C ATOM 710 CG ASP A 47 25.801 -7.055 -3.368 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.760 -7.270 -2.597 1.00 0.00 O ATOM 712 OD2 ASP A 47 25.149 -5.990 -3.371 1.00 0.00 O ATOM 0 H ASP A 47 26.577 -9.002 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 47 27.528 -8.330 -4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.686 -7.741 -5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.914 -8.951 -3.813 1.00 0.00 H new ATOM 717 N THR A 48 25.639 -10.846 -5.695 1.00 0.00 N ATOM 718 CA THR A 48 25.527 -12.299 -5.701 1.00 0.00 C ATOM 719 C THR A 48 26.863 -12.952 -6.037 1.00 0.00 C ATOM 720 O THR A 48 27.373 -12.808 -7.148 1.00 0.00 O ATOM 721 CB THR A 48 24.467 -12.777 -6.711 1.00 0.00 C ATOM 722 OG1 THR A 48 23.245 -12.056 -6.516 1.00 0.00 O ATOM 723 CG2 THR A 48 24.211 -14.269 -6.561 1.00 0.00 C ATOM 0 H THR A 48 24.916 -10.365 -6.231 1.00 0.00 H new ATOM 0 HA THR A 48 25.222 -12.596 -4.698 1.00 0.00 H new ATOM 0 HB THR A 48 24.843 -12.588 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 48 22.850 -11.840 -7.387 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.459 -14.584 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.137 -14.817 -6.738 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.854 -14.477 -5.553 1.00 0.00 H new ATOM 731 N ASP A 49 27.424 -13.671 -5.071 1.00 0.00 N ATOM 732 CA ASP A 49 28.701 -14.348 -5.265 1.00 0.00 C ATOM 733 C ASP A 49 28.659 -15.243 -6.500 1.00 0.00 C ATOM 734 O ASP A 49 29.519 -15.151 -7.375 1.00 0.00 O ATOM 735 CB ASP A 49 29.055 -15.179 -4.031 1.00 0.00 C ATOM 736 CG ASP A 49 27.854 -15.904 -3.457 1.00 0.00 C ATOM 737 OD1 ASP A 49 27.103 -15.283 -2.675 1.00 0.00 O ATOM 738 OD2 ASP A 49 27.663 -17.092 -3.789 1.00 0.00 O ATOM 0 H ASP A 49 27.015 -13.800 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 49 29.468 -13.588 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.823 -15.906 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.481 -14.528 -3.268 1.00 0.00 H new ATOM 743 N GLY A 50 27.652 -16.109 -6.564 1.00 0.00 N ATOM 744 CA GLY A 50 27.517 -17.009 -7.695 1.00 0.00 C ATOM 745 C GLY A 50 26.492 -18.098 -7.450 1.00 0.00 C ATOM 746 O GLY A 50 25.944 -18.668 -8.394 1.00 0.00 O ATOM 0 H GLY A 50 26.927 -16.203 -5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.231 -16.437 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 50 28.483 -17.465 -7.910 1.00 0.00 H new ATOM 750 N ASP A 51 26.234 -18.390 -6.180 1.00 0.00 N ATOM 751 CA ASP A 51 25.268 -19.420 -5.814 1.00 0.00 C ATOM 752 C ASP A 51 23.984 -19.274 -6.625 1.00 0.00 C ATOM 753 O ASP A 51 23.350 -20.264 -6.985 1.00 0.00 O ATOM 754 CB ASP A 51 24.953 -19.345 -4.319 1.00 0.00 C ATOM 755 CG ASP A 51 26.036 -19.977 -3.467 1.00 0.00 C ATOM 756 OD1 ASP A 51 27.029 -20.471 -4.040 1.00 0.00 O ATOM 757 OD2 ASP A 51 25.890 -19.977 -2.227 1.00 0.00 O ATOM 0 H ASP A 51 26.680 -17.929 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 51 25.708 -20.392 -6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.829 -18.302 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.004 -19.845 -4.125 1.00 0.00 H new ATOM 762 N GLY A 52 23.607 -18.031 -6.908 1.00 0.00 N ATOM 763 CA GLY A 52 22.400 -17.778 -7.673 1.00 0.00 C ATOM 764 C GLY A 52 21.235 -17.360 -6.797 1.00 0.00 C ATOM 765 O GLY A 52 20.075 -17.513 -7.180 1.00 0.00 O ATOM 0 H GLY A 52 24.116 -17.195 -6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.596 -16.997 -8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.130 -18.677 -8.227 1.00 0.00 H new ATOM 769 N PHE A 53 21.543 -16.833 -5.617 1.00 0.00 N ATOM 770 CA PHE A 53 20.513 -16.395 -4.683 1.00 0.00 C ATOM 771 C PHE A 53 20.952 -15.137 -3.939 1.00 0.00 C ATOM 772 O PHE A 53 22.104 -14.712 -4.043 1.00 0.00 O ATOM 773 CB PHE A 53 20.194 -17.508 -3.682 1.00 0.00 C ATOM 774 CG PHE A 53 19.619 -18.740 -4.320 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.447 -19.682 -4.909 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.251 -18.957 -4.330 1.00 0.00 C ATOM 777 CE1 PHE A 53 19.922 -20.818 -5.496 1.00 0.00 C ATOM 778 CE2 PHE A 53 17.719 -20.090 -4.916 1.00 0.00 C ATOM 779 CZ PHE A 53 18.556 -21.021 -5.500 1.00 0.00 C ATOM 0 H PHE A 53 22.498 -16.699 -5.285 1.00 0.00 H new ATOM 0 HA PHE A 53 19.615 -16.163 -5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.105 -17.777 -3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.489 -17.129 -2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.516 -19.527 -4.909 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.592 -18.232 -3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.579 -21.545 -5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.651 -20.247 -4.917 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.143 -21.907 -5.959 1.00 0.00 H new ATOM 789 N ILE A 54 20.028 -14.547 -3.189 1.00 0.00 N ATOM 790 CA ILE A 54 20.319 -13.339 -2.428 1.00 0.00 C ATOM 791 C ILE A 54 19.406 -13.221 -1.212 1.00 0.00 C ATOM 792 O ILE A 54 18.191 -13.391 -1.317 1.00 0.00 O ATOM 793 CB ILE A 54 20.166 -12.075 -3.295 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.931 -12.193 -4.192 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.416 -11.852 -4.133 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.746 -11.015 -5.122 1.00 0.00 C ATOM 0 H ILE A 54 19.071 -14.886 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 54 21.354 -13.418 -2.096 1.00 0.00 H new ATOM 0 HB ILE A 54 20.035 -11.215 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.008 -13.105 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.045 -12.294 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.292 -10.955 -4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.277 -11.729 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.576 -12.711 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.852 -11.166 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.637 -10.102 -4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.615 -10.926 -5.774 1.00 0.00 H new ATOM 808 N ASP A 55 19.999 -12.928 -0.060 1.00 0.00 N ATOM 809 CA ASP A 55 19.239 -12.785 1.176 1.00 0.00 C ATOM 810 C ASP A 55 18.298 -11.586 1.099 1.00 0.00 C ATOM 811 O ASP A 55 17.084 -11.745 0.962 1.00 0.00 O ATOM 812 CB ASP A 55 20.186 -12.629 2.367 1.00 0.00 C ATOM 813 CG ASP A 55 20.845 -13.938 2.757 1.00 0.00 C ATOM 814 OD1 ASP A 55 20.156 -14.798 3.343 1.00 0.00 O ATOM 815 OD2 ASP A 55 22.051 -14.101 2.475 1.00 0.00 O ATOM 0 H ASP A 55 21.004 -12.785 0.044 1.00 0.00 H new ATOM 0 HA ASP A 55 18.641 -13.686 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.955 -11.897 2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.632 -12.236 3.219 1.00 0.00 H new ATOM 820 N PHE A 56 18.865 -10.388 1.190 1.00 0.00 N ATOM 821 CA PHE A 56 18.076 -9.163 1.133 1.00 0.00 C ATOM 822 C PHE A 56 18.936 -7.983 0.689 1.00 0.00 C ATOM 823 O PHE A 56 18.592 -7.271 -0.254 1.00 0.00 O ATOM 824 CB PHE A 56 17.452 -8.868 2.499 1.00 0.00 C ATOM 825 CG PHE A 56 16.595 -7.635 2.513 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.653 -7.419 1.520 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.731 -6.693 3.519 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.864 -6.285 1.531 1.00 0.00 C ATOM 829 CE2 PHE A 56 15.944 -5.557 3.535 1.00 0.00 C ATOM 830 CZ PHE A 56 15.008 -5.353 2.540 1.00 0.00 C ATOM 0 H PHE A 56 19.868 -10.239 1.304 1.00 0.00 H new ATOM 0 HA PHE A 56 17.281 -9.307 0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.850 -9.723 2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.247 -8.756 3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.534 -8.145 0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.461 -6.848 4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.134 -6.127 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.061 -4.830 4.325 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.390 -4.467 2.551 1.00 0.00 H new ATOM 840 N ASN A 57 20.055 -7.782 1.377 1.00 0.00 N ATOM 841 CA ASN A 57 20.964 -6.688 1.055 1.00 0.00 C ATOM 842 C ASN A 57 21.382 -6.741 -0.412 1.00 0.00 C ATOM 843 O ASN A 57 21.309 -5.741 -1.124 1.00 0.00 O ATOM 844 CB ASN A 57 22.203 -6.746 1.951 1.00 0.00 C ATOM 845 CG ASN A 57 23.432 -6.168 1.277 1.00 0.00 C ATOM 846 OD1 ASN A 57 24.174 -7.015 0.573 1.00 0.00 O flip ATOM 847 ND2 ASN A 57 23.711 -4.974 1.388 1.00 0.00 N flip ATOM 0 H ASN A 57 20.354 -8.362 2.161 1.00 0.00 H new ATOM 0 HA ASN A 57 20.439 -5.749 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.007 -6.199 2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.398 -7.782 2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 57 23.112 -4.359 1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 57 24.541 -4.599 0.929 1.00 0.00 H new ATOM 854 N GLU A 58 21.818 -7.917 -0.855 1.00 0.00 N ATOM 855 CA GLU A 58 22.247 -8.100 -2.237 1.00 0.00 C ATOM 856 C GLU A 58 21.091 -7.853 -3.203 1.00 0.00 C ATOM 857 O GLU A 58 21.302 -7.512 -4.367 1.00 0.00 O ATOM 858 CB GLU A 58 22.802 -9.511 -2.439 1.00 0.00 C ATOM 859 CG GLU A 58 23.999 -9.826 -1.558 1.00 0.00 C ATOM 860 CD GLU A 58 24.925 -10.855 -2.177 1.00 0.00 C ATOM 861 OE1 GLU A 58 24.421 -11.886 -2.669 1.00 0.00 O ATOM 862 OE2 GLU A 58 26.153 -10.628 -2.171 1.00 0.00 O ATOM 0 H GLU A 58 21.883 -8.755 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 58 23.033 -7.375 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 58 22.013 -10.235 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 58 23.088 -9.634 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.557 -8.909 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.649 -10.192 -0.593 1.00 0.00 H new ATOM 869 N PHE A 59 19.869 -8.028 -2.711 1.00 0.00 N ATOM 870 CA PHE A 59 18.679 -7.826 -3.529 1.00 0.00 C ATOM 871 C PHE A 59 18.316 -6.346 -3.606 1.00 0.00 C ATOM 872 O PHE A 59 17.845 -5.864 -4.636 1.00 0.00 O ATOM 873 CB PHE A 59 17.503 -8.623 -2.962 1.00 0.00 C ATOM 874 CG PHE A 59 16.164 -8.143 -3.446 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.678 -8.538 -4.682 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.393 -7.297 -2.666 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.447 -8.097 -5.130 1.00 0.00 C ATOM 878 CE2 PHE A 59 14.161 -6.853 -3.109 1.00 0.00 C ATOM 879 CZ PHE A 59 13.687 -7.255 -4.342 1.00 0.00 C ATOM 0 H PHE A 59 19.677 -8.309 -1.750 1.00 0.00 H new ATOM 0 HA PHE A 59 18.897 -8.181 -4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.623 -9.673 -3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.528 -8.568 -1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.267 -9.197 -5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.759 -6.980 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 59 14.080 -8.411 -6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.570 -6.193 -2.492 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.724 -6.912 -4.690 1.00 0.00 H new ATOM 889 N ILE A 60 18.538 -5.632 -2.507 1.00 0.00 N ATOM 890 CA ILE A 60 18.235 -4.207 -2.450 1.00 0.00 C ATOM 891 C ILE A 60 19.346 -3.382 -3.091 1.00 0.00 C ATOM 892 O ILE A 60 19.109 -2.279 -3.583 1.00 0.00 O ATOM 893 CB ILE A 60 18.031 -3.733 -0.999 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.854 -4.472 -0.358 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.804 -2.229 -0.959 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.550 -4.294 -1.105 1.00 0.00 C ATOM 0 H ILE A 60 18.926 -6.016 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 60 17.309 -4.059 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 60 18.932 -3.960 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.089 -5.535 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.728 -4.119 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.662 -1.910 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.670 -1.719 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.917 -1.979 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.760 -4.845 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.291 -3.236 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.658 -4.673 -2.121 1.00 0.00 H new ATOM 908 N SER A 61 20.559 -3.925 -3.082 1.00 0.00 N ATOM 909 CA SER A 61 21.708 -3.239 -3.660 1.00 0.00 C ATOM 910 C SER A 61 21.408 -2.783 -5.085 1.00 0.00 C ATOM 911 O SER A 61 21.561 -1.608 -5.419 1.00 0.00 O ATOM 912 CB SER A 61 22.933 -4.156 -3.654 1.00 0.00 C ATOM 913 OG SER A 61 24.100 -3.450 -4.037 1.00 0.00 O ATOM 0 H SER A 61 20.771 -4.838 -2.681 1.00 0.00 H new ATOM 0 HA SER A 61 21.918 -2.359 -3.052 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.070 -4.579 -2.659 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.769 -4.991 -4.335 1.00 0.00 H new ATOM 0 HG SER A 61 24.882 -4.033 -3.939 1.00 0.00 H new ATOM 919 N PHE A 62 20.979 -3.723 -5.922 1.00 0.00 N ATOM 920 CA PHE A 62 20.657 -3.419 -7.312 1.00 0.00 C ATOM 921 C PHE A 62 19.293 -2.744 -7.420 1.00 0.00 C ATOM 922 O PHE A 62 18.933 -2.213 -8.471 1.00 0.00 O ATOM 923 CB PHE A 62 20.674 -4.698 -8.152 1.00 0.00 C ATOM 924 CG PHE A 62 19.334 -5.053 -8.730 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.365 -5.660 -7.947 1.00 0.00 C ATOM 926 CD2 PHE A 62 19.042 -4.779 -10.057 1.00 0.00 C ATOM 927 CE1 PHE A 62 17.131 -5.988 -8.475 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.810 -5.104 -10.591 1.00 0.00 C ATOM 929 CZ PHE A 62 16.853 -5.710 -9.799 1.00 0.00 C ATOM 0 H PHE A 62 20.846 -4.700 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 62 21.413 -2.732 -7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.391 -4.580 -8.964 1.00 0.00 H new ATOM 0 HB3 PHE A 62 21.025 -5.525 -7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.577 -5.879 -6.911 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.786 -4.306 -10.681 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.385 -6.461 -7.853 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.595 -4.885 -11.626 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.890 -5.966 -10.215 1.00 0.00 H new ATOM 939 N CYS A 63 18.540 -2.769 -6.326 1.00 0.00 N ATOM 940 CA CYS A 63 17.214 -2.160 -6.297 1.00 0.00 C ATOM 941 C CYS A 63 17.313 -0.651 -6.099 1.00 0.00 C ATOM 942 O CYS A 63 16.752 -0.102 -5.153 1.00 0.00 O ATOM 943 CB CYS A 63 16.371 -2.779 -5.182 1.00 0.00 C ATOM 944 SG CYS A 63 14.624 -2.315 -5.233 1.00 0.00 S ATOM 0 H CYS A 63 18.824 -3.204 -5.448 1.00 0.00 H new ATOM 0 HA CYS A 63 16.732 -2.351 -7.256 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.449 -3.865 -5.242 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.787 -2.482 -4.219 1.00 0.00 H new ATOM 0 HG CYS A 63 13.911 -3.346 -5.579 1.00 0.00 H new ATOM 950 N ASN A 64 18.032 0.013 -6.998 1.00 0.00 N ATOM 951 CA ASN A 64 18.207 1.458 -6.921 1.00 0.00 C ATOM 952 C ASN A 64 16.859 2.164 -6.804 1.00 0.00 C ATOM 953 O ASN A 64 16.716 3.132 -6.059 1.00 0.00 O ATOM 954 CB ASN A 64 18.957 1.969 -8.153 1.00 0.00 C ATOM 955 CG ASN A 64 20.257 1.224 -8.388 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.561 0.823 -9.511 1.00 0.00 O ATOM 957 ND2 ASN A 64 21.031 1.035 -7.325 1.00 0.00 N ATOM 0 H ASN A 64 18.503 -0.427 -7.789 1.00 0.00 H new ATOM 0 HA ASN A 64 18.793 1.680 -6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.319 1.868 -9.031 1.00 0.00 H new ATOM 0 HB3 ASN A 64 19.167 3.032 -8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.918 0.540 -7.421 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.739 1.385 -6.413 1.00 0.00 H new ATOM 964 N ALA A 65 15.873 1.670 -7.546 1.00 0.00 N ATOM 965 CA ALA A 65 14.536 2.250 -7.524 1.00 0.00 C ATOM 966 C ALA A 65 14.593 3.766 -7.685 1.00 0.00 C ATOM 967 O ALA A 65 13.775 4.490 -7.120 1.00 0.00 O ATOM 968 CB ALA A 65 13.821 1.881 -6.233 1.00 0.00 C ATOM 0 H ALA A 65 15.975 0.869 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 65 13.976 1.842 -8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.824 2.321 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.739 0.797 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.387 2.261 -5.382 1.00 0.00 H new ATOM 974 N ASN A 66 15.565 4.238 -8.459 1.00 0.00 N ATOM 975 CA ASN A 66 15.729 5.668 -8.693 1.00 0.00 C ATOM 976 C ASN A 66 14.856 6.133 -9.855 1.00 0.00 C ATOM 977 O ASN A 66 13.922 6.917 -9.687 1.00 0.00 O ATOM 978 CB ASN A 66 17.196 5.994 -8.979 1.00 0.00 C ATOM 979 CG ASN A 66 17.878 6.671 -7.806 1.00 0.00 C ATOM 980 OD1 ASN A 66 17.797 7.889 -7.645 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.554 5.882 -6.980 1.00 0.00 N ATOM 0 H ASN A 66 16.251 3.651 -8.935 1.00 0.00 H new ATOM 0 HA ASN A 66 15.416 6.197 -7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.728 5.075 -9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.258 6.641 -9.854 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.033 6.280 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.594 4.878 -7.153 1.00 0.00 H new ATOM 988 N PRO A 67 15.166 5.639 -11.062 1.00 0.00 N ATOM 989 CA PRO A 67 14.422 5.989 -12.276 1.00 0.00 C ATOM 990 C PRO A 67 13.017 5.396 -12.285 1.00 0.00 C ATOM 991 O PRO A 67 12.074 6.018 -12.770 1.00 0.00 O ATOM 992 CB PRO A 67 15.267 5.380 -13.398 1.00 0.00 C ATOM 993 CG PRO A 67 16.007 4.261 -12.750 1.00 0.00 C ATOM 994 CD PRO A 67 16.267 4.700 -11.336 1.00 0.00 C ATOM 0 HA PRO A 67 14.277 7.065 -12.370 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.641 5.020 -14.214 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.952 6.115 -13.821 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.422 3.342 -12.772 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.941 4.056 -13.273 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.257 3.857 -10.645 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.240 5.182 -11.237 1.00 0.00 H new ATOM 1002 N GLY A 68 12.886 4.187 -11.746 1.00 0.00 N ATOM 1003 CA GLY A 68 11.593 3.531 -11.703 1.00 0.00 C ATOM 1004 C GLY A 68 11.654 2.096 -12.186 1.00 0.00 C ATOM 1005 O GLY A 68 10.677 1.570 -12.721 1.00 0.00 O ATOM 0 H GLY A 68 13.652 3.651 -11.339 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.213 3.551 -10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.886 4.088 -12.318 1.00 0.00 H new ATOM 1009 N LEU A 69 12.806 1.459 -11.999 1.00 0.00 N ATOM 1010 CA LEU A 69 12.992 0.076 -12.421 1.00 0.00 C ATOM 1011 C LEU A 69 12.383 -0.889 -11.409 1.00 0.00 C ATOM 1012 O LEU A 69 11.950 -1.985 -11.765 1.00 0.00 O ATOM 1013 CB LEU A 69 14.481 -0.227 -12.600 1.00 0.00 C ATOM 1014 CG LEU A 69 15.355 -0.053 -11.358 1.00 0.00 C ATOM 1015 CD1 LEU A 69 16.266 -1.256 -11.172 1.00 0.00 C ATOM 1016 CD2 LEU A 69 16.173 1.227 -11.456 1.00 0.00 C ATOM 0 H LEU A 69 13.624 1.879 -11.558 1.00 0.00 H new ATOM 0 HA LEU A 69 12.483 -0.059 -13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.583 -1.254 -12.950 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.871 0.418 -13.387 1.00 0.00 H new ATOM 0 HG LEU A 69 14.703 0.021 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.880 -1.113 -10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.662 -2.155 -11.055 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.910 -1.363 -12.045 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.789 1.334 -10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.814 1.182 -12.336 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.502 2.082 -11.539 1.00 0.00 H new ATOM 1028 N MET A 70 12.352 -0.473 -10.147 1.00 0.00 N ATOM 1029 CA MET A 70 11.792 -1.300 -9.084 1.00 0.00 C ATOM 1030 C MET A 70 10.571 -0.631 -8.461 1.00 0.00 C ATOM 1031 O MET A 70 9.733 -1.292 -7.847 1.00 0.00 O ATOM 1032 CB MET A 70 12.846 -1.568 -8.008 1.00 0.00 C ATOM 1033 CG MET A 70 14.171 -2.062 -8.566 1.00 0.00 C ATOM 1034 SD MET A 70 14.254 -3.860 -8.669 1.00 0.00 S ATOM 1035 CE MET A 70 13.697 -4.129 -10.350 1.00 0.00 C ATOM 0 H MET A 70 12.708 0.431 -9.836 1.00 0.00 H new ATOM 0 HA MET A 70 11.481 -2.249 -9.522 1.00 0.00 H new ATOM 0 HB2 MET A 70 13.018 -0.652 -7.443 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.458 -2.307 -7.307 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.324 -1.638 -9.558 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.984 -1.700 -7.936 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.204 -4.999 -10.767 1.00 0.00 H new ATOM 0 HE2 MET A 70 12.621 -4.300 -10.354 1.00 0.00 H new ATOM 0 HE3 MET A 70 13.927 -3.251 -10.954 1.00 0.00 H new ATOM 1045 N LYS A 71 10.476 0.685 -8.622 1.00 0.00 N ATOM 1046 CA LYS A 71 9.358 1.444 -8.076 1.00 0.00 C ATOM 1047 C LYS A 71 8.122 1.304 -8.959 1.00 0.00 C ATOM 1048 O LYS A 71 7.002 1.565 -8.522 1.00 0.00 O ATOM 1049 CB LYS A 71 9.735 2.921 -7.940 1.00 0.00 C ATOM 1050 CG LYS A 71 8.590 3.801 -7.469 1.00 0.00 C ATOM 1051 CD LYS A 71 9.096 5.010 -6.700 1.00 0.00 C ATOM 1052 CE LYS A 71 8.011 6.064 -6.544 1.00 0.00 C ATOM 1053 NZ LYS A 71 8.481 7.229 -5.743 1.00 0.00 N ATOM 0 H LYS A 71 11.161 1.248 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 71 9.126 1.042 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.564 3.012 -7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.090 3.287 -8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.008 4.133 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.920 3.220 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.445 4.697 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.952 5.441 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.692 6.405 -7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.140 5.620 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.713 7.925 -5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.762 6.908 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.297 7.669 -6.215 1.00 0.00 H new ATOM 1067 N ASP A 72 8.334 0.888 -10.203 1.00 0.00 N ATOM 1068 CA ASP A 72 7.237 0.710 -11.147 1.00 0.00 C ATOM 1069 C ASP A 72 7.250 -0.697 -11.736 1.00 0.00 C ATOM 1070 O ASP A 72 7.089 -0.878 -12.943 1.00 0.00 O ATOM 1071 CB ASP A 72 7.328 1.747 -12.269 1.00 0.00 C ATOM 1072 CG ASP A 72 7.206 3.168 -11.755 1.00 0.00 C ATOM 1073 OD1 ASP A 72 8.086 3.596 -10.979 1.00 0.00 O ATOM 1074 OD2 ASP A 72 6.231 3.852 -12.130 1.00 0.00 O ATOM 0 H ASP A 72 9.255 0.668 -10.581 1.00 0.00 H new ATOM 0 HA ASP A 72 6.300 0.850 -10.608 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.279 1.632 -12.790 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.540 1.559 -12.999 1.00 0.00 H new ATOM 1079 N VAL A 73 7.442 -1.691 -10.875 1.00 0.00 N ATOM 1080 CA VAL A 73 7.476 -3.083 -11.310 1.00 0.00 C ATOM 1081 C VAL A 73 6.684 -3.974 -10.360 1.00 0.00 C ATOM 1082 O VAL A 73 6.115 -4.985 -10.771 1.00 0.00 O ATOM 1083 CB VAL A 73 8.922 -3.607 -11.403 1.00 0.00 C ATOM 1084 CG1 VAL A 73 9.304 -4.348 -10.131 1.00 0.00 C ATOM 1085 CG2 VAL A 73 9.085 -4.503 -12.622 1.00 0.00 C ATOM 0 H VAL A 73 7.576 -1.559 -9.873 1.00 0.00 H new ATOM 0 HA VAL A 73 7.021 -3.117 -12.300 1.00 0.00 H new ATOM 0 HB VAL A 73 9.593 -2.755 -11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.328 -4.711 -10.215 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.227 -3.672 -9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.631 -5.193 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.112 -4.865 -12.673 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.405 -5.351 -12.544 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.855 -3.936 -13.524 1.00 0.00 H new ATOM 1095 N ALA A 74 6.652 -3.593 -9.087 1.00 0.00 N ATOM 1096 CA ALA A 74 5.928 -4.356 -8.079 1.00 0.00 C ATOM 1097 C ALA A 74 4.457 -3.956 -8.039 1.00 0.00 C ATOM 1098 O ALA A 74 3.672 -4.512 -7.270 1.00 0.00 O ATOM 1099 CB ALA A 74 6.567 -4.164 -6.711 1.00 0.00 C ATOM 0 H ALA A 74 7.120 -2.760 -8.730 1.00 0.00 H new ATOM 0 HA ALA A 74 5.983 -5.411 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.016 -4.740 -5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.601 -4.507 -6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.542 -3.108 -6.443 1.00 0.00 H new ATOM 1105 N LYS A 75 4.089 -2.988 -8.871 1.00 0.00 N ATOM 1106 CA LYS A 75 2.712 -2.512 -8.932 1.00 0.00 C ATOM 1107 C LYS A 75 2.129 -2.712 -10.327 1.00 0.00 C ATOM 1108 O LYS A 75 0.915 -2.650 -10.518 1.00 0.00 O ATOM 1109 CB LYS A 75 2.644 -1.033 -8.546 1.00 0.00 C ATOM 1110 CG LYS A 75 3.941 -0.281 -8.790 1.00 0.00 C ATOM 1111 CD LYS A 75 4.881 -0.390 -7.602 1.00 0.00 C ATOM 1112 CE LYS A 75 4.670 0.749 -6.617 1.00 0.00 C ATOM 1113 NZ LYS A 75 3.388 0.608 -5.872 1.00 0.00 N ATOM 0 H LYS A 75 4.726 -2.517 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 75 2.121 -3.093 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.844 -0.555 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.380 -0.953 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.430 -0.677 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.722 0.769 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.722 -1.343 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.913 -0.383 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.499 0.776 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.676 1.698 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.408 1.217 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.597 0.891 -6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.263 -0.383 -5.581 1.00 0.00 H new ATOM 1127 N VAL A 76 3.002 -2.953 -11.300 1.00 0.00 N ATOM 1128 CA VAL A 76 2.574 -3.165 -12.677 1.00 0.00 C ATOM 1129 C VAL A 76 1.485 -4.229 -12.757 1.00 0.00 C ATOM 1130 O VAL A 76 0.314 -3.919 -12.976 1.00 0.00 O ATOM 1131 CB VAL A 76 3.753 -3.585 -13.574 1.00 0.00 C ATOM 1132 CG1 VAL A 76 3.263 -3.942 -14.969 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.796 -2.479 -13.634 1.00 0.00 C ATOM 0 H VAL A 76 4.011 -3.006 -11.159 1.00 0.00 H new ATOM 0 HA VAL A 76 2.177 -2.215 -13.034 1.00 0.00 H new ATOM 0 HB VAL A 76 4.219 -4.470 -13.141 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.110 -4.236 -15.588 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.556 -4.769 -14.906 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.771 -3.077 -15.414 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.622 -2.792 -14.272 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.345 -1.575 -14.043 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.169 -2.276 -12.630 1.00 0.00 H new ATOM 1143 N PHE A 77 1.879 -5.485 -12.577 1.00 0.00 N ATOM 1144 CA PHE A 77 0.937 -6.597 -12.628 1.00 0.00 C ATOM 1145 C PHE A 77 -0.250 -6.348 -11.702 1.00 0.00 C ATOM 1146 O PHE A 77 -0.200 -6.667 -10.514 1.00 0.00 O ATOM 1147 CB PHE A 77 1.635 -7.903 -12.242 1.00 0.00 C ATOM 1148 CG PHE A 77 0.853 -9.132 -12.609 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -0.191 -9.570 -11.809 1.00 0.00 C ATOM 1150 CD2 PHE A 77 1.161 -9.848 -13.754 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -0.911 -10.700 -12.145 1.00 0.00 C ATOM 1152 CE2 PHE A 77 0.443 -10.980 -14.095 1.00 0.00 C ATOM 1153 CZ PHE A 77 -0.595 -11.406 -13.289 1.00 0.00 C ATOM 0 H PHE A 77 2.845 -5.759 -12.394 1.00 0.00 H new ATOM 0 HA PHE A 77 0.566 -6.680 -13.650 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.609 -7.943 -12.730 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.816 -7.905 -11.167 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.444 -9.022 -10.913 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.971 -9.519 -14.388 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.721 -11.031 -11.513 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.693 -11.530 -14.990 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.158 -12.289 -13.553 1.00 0.00 H new