USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 780 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 Single : A 1 MET CE :methyl -175:sc= -13.2! (180deg=-14.1!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -73:sc= -4.49! USER MOD Single : A 20 HIS :FLIP no HE2:sc= -1.67! C(o=-2.8!,f=-1.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.113 USER MOD Single : A 40 SER OG : rot -47:sc= -2.53! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HE2:sc= -13.2! C(o=-14!,f=-13!) USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= 0.859 (180deg=0.238!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.157 USER MOD Single : A 87 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 13.420 5.129 -7.594 1.00 0.00 N ATOM 37 CA MET A 1 11.986 5.010 -7.397 1.00 0.00 C ATOM 38 C MET A 1 11.229 5.280 -8.699 1.00 0.00 C ATOM 39 O MET A 1 10.833 6.414 -8.967 1.00 0.00 O ATOM 40 CB MET A 1 11.533 6.005 -6.326 1.00 0.00 C ATOM 41 CG MET A 1 10.589 5.340 -5.324 1.00 0.00 C ATOM 42 SD MET A 1 11.400 3.952 -4.549 1.00 0.00 S ATOM 43 CE MET A 1 10.443 2.610 -5.234 1.00 0.00 C ATOM 0 H1 MET A 1 13.910 4.941 -6.696 1.00 0.00 H new ATOM 0 H2 MET A 1 13.731 4.440 -8.309 1.00 0.00 H new ATOM 0 H3 MET A 1 13.647 6.091 -7.918 1.00 0.00 H new ATOM 0 HA MET A 1 11.766 3.992 -7.076 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.403 6.403 -5.803 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.031 6.850 -6.798 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.282 6.062 -4.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.684 5.006 -5.831 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.761 1.670 -4.784 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.386 2.773 -5.025 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.597 2.566 -6.312 1.00 0.00 H new ATOM 53 N ASP A 2 11.050 4.220 -9.473 1.00 0.00 N ATOM 54 CA ASP A 2 10.348 4.329 -10.740 1.00 0.00 C ATOM 55 C ASP A 2 9.090 3.459 -10.697 1.00 0.00 C ATOM 56 O ASP A 2 8.986 2.552 -9.873 1.00 0.00 O ATOM 57 CB ASP A 2 11.221 3.841 -11.898 1.00 0.00 C ATOM 58 CG ASP A 2 12.289 4.831 -12.364 1.00 0.00 C ATOM 59 OD1 ASP A 2 12.200 6.004 -11.941 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.172 4.394 -13.134 1.00 0.00 O ATOM 0 H ASP A 2 11.379 3.281 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 2 10.096 5.378 -10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.712 2.915 -11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.576 3.601 -12.743 1.00 0.00 H new ATOM 65 N LEU A 3 8.165 3.767 -11.595 1.00 0.00 N ATOM 66 CA LEU A 3 6.919 3.025 -11.670 1.00 0.00 C ATOM 67 C LEU A 3 7.217 1.572 -12.048 1.00 0.00 C ATOM 68 O LEU A 3 6.690 0.646 -11.433 1.00 0.00 O ATOM 69 CB LEU A 3 5.939 3.718 -12.619 1.00 0.00 C ATOM 70 CG LEU A 3 5.043 4.789 -11.992 1.00 0.00 C ATOM 71 CD1 LEU A 3 3.931 4.153 -11.155 1.00 0.00 C ATOM 72 CD2 LEU A 3 5.869 5.789 -11.182 1.00 0.00 C ATOM 0 H LEU A 3 8.254 4.521 -12.277 1.00 0.00 H new ATOM 0 HA LEU A 3 6.427 3.008 -10.697 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.509 4.177 -13.427 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.302 2.958 -13.070 1.00 0.00 H new ATOM 0 HG LEU A 3 4.562 5.345 -12.796 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.309 4.936 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.318 3.513 -11.790 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.372 3.556 -10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.208 6.539 -10.747 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.396 5.264 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.592 6.277 -11.835 1.00 0.00 H new ATOM 84 N GLU A 4 8.061 1.418 -13.058 1.00 0.00 N ATOM 85 CA GLU A 4 8.435 0.094 -13.525 1.00 0.00 C ATOM 86 C GLU A 4 8.978 -0.744 -12.365 1.00 0.00 C ATOM 87 O GLU A 4 8.630 -1.915 -12.226 1.00 0.00 O ATOM 88 CB GLU A 4 9.455 0.182 -14.662 1.00 0.00 C ATOM 89 CG GLU A 4 10.477 1.289 -14.397 1.00 0.00 C ATOM 90 CD GLU A 4 11.907 0.764 -14.550 1.00 0.00 C ATOM 91 OE1 GLU A 4 12.188 -0.297 -13.954 1.00 0.00 O ATOM 92 OE2 GLU A 4 12.685 1.437 -15.261 1.00 0.00 O ATOM 0 H GLU A 4 8.496 2.188 -13.566 1.00 0.00 H new ATOM 0 HA GLU A 4 7.544 -0.397 -13.917 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.968 -0.774 -14.770 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.940 0.375 -15.603 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.313 2.114 -15.090 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.337 1.685 -13.391 1.00 0.00 H new ATOM 99 N THR A 5 9.821 -0.111 -11.563 1.00 0.00 N ATOM 100 CA THR A 5 10.415 -0.783 -10.420 1.00 0.00 C ATOM 101 C THR A 5 9.359 -1.038 -9.343 1.00 0.00 C ATOM 102 O THR A 5 9.420 -2.040 -8.633 1.00 0.00 O ATOM 103 CB THR A 5 11.590 0.065 -9.931 1.00 0.00 C ATOM 104 OG1 THR A 5 12.732 -0.553 -10.518 1.00 0.00 O ATOM 105 CG2 THR A 5 11.825 -0.073 -8.425 1.00 0.00 C ATOM 0 H THR A 5 10.107 0.861 -11.682 1.00 0.00 H new ATOM 0 HA THR A 5 10.798 -1.766 -10.694 1.00 0.00 H new ATOM 0 HB THR A 5 11.409 1.112 -10.176 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.540 -0.065 -10.254 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.670 0.549 -8.130 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.933 0.247 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.040 -1.114 -8.184 1.00 0.00 H new ATOM 113 N LEU A 6 8.414 -0.112 -9.255 1.00 0.00 N ATOM 114 CA LEU A 6 7.346 -0.223 -8.277 1.00 0.00 C ATOM 115 C LEU A 6 6.615 -1.552 -8.475 1.00 0.00 C ATOM 116 O LEU A 6 6.221 -2.199 -7.506 1.00 0.00 O ATOM 117 CB LEU A 6 6.429 1.000 -8.343 1.00 0.00 C ATOM 118 CG LEU A 6 6.811 2.174 -7.440 1.00 0.00 C ATOM 119 CD1 LEU A 6 8.259 2.050 -6.961 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.551 3.510 -8.139 1.00 0.00 C ATOM 0 H LEU A 6 8.367 0.718 -9.846 1.00 0.00 H new ATOM 0 HA LEU A 6 7.754 -0.231 -7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.402 1.354 -9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.417 0.685 -8.087 1.00 0.00 H new ATOM 0 HG LEU A 6 6.176 2.144 -6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.504 2.897 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.378 1.124 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.927 2.040 -7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.831 4.328 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.144 3.564 -9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.493 3.591 -8.388 1.00 0.00 H new ATOM 132 N ARG A 7 6.455 -1.920 -9.738 1.00 0.00 N ATOM 133 CA ARG A 7 5.778 -3.160 -10.077 1.00 0.00 C ATOM 134 C ARG A 7 6.642 -4.361 -9.685 1.00 0.00 C ATOM 135 O ARG A 7 6.138 -5.341 -9.139 1.00 0.00 O ATOM 136 CB ARG A 7 5.469 -3.229 -11.574 1.00 0.00 C ATOM 137 CG ARG A 7 5.132 -1.843 -12.128 1.00 0.00 C ATOM 138 CD ARG A 7 4.118 -1.127 -11.233 1.00 0.00 C ATOM 139 NE ARG A 7 2.742 -1.510 -11.620 1.00 0.00 N ATOM 140 CZ ARG A 7 2.151 -1.136 -12.763 1.00 0.00 C ATOM 141 NH1 ARG A 7 2.812 -0.367 -13.638 1.00 0.00 N ATOM 142 NH2 ARG A 7 0.899 -1.532 -13.030 1.00 0.00 N ATOM 0 H ARG A 7 6.783 -1.381 -10.539 1.00 0.00 H new ATOM 0 HA ARG A 7 4.840 -3.187 -9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.326 -3.639 -12.108 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.633 -3.907 -11.746 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.041 -1.246 -12.203 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.729 -1.938 -13.136 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.296 -1.385 -10.189 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.242 -0.048 -11.320 1.00 0.00 H new ATOM 0 HE ARG A 7 2.210 -2.096 -10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.765 -0.066 -13.434 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.362 -0.082 -14.508 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.396 -2.118 -12.363 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.449 -1.248 -13.900 1.00 0.00 H new ATOM 156 N ALA A 8 7.928 -4.244 -9.979 1.00 0.00 N ATOM 157 CA ALA A 8 8.867 -5.308 -9.665 1.00 0.00 C ATOM 158 C ALA A 8 8.889 -5.532 -8.152 1.00 0.00 C ATOM 159 O ALA A 8 8.747 -6.662 -7.686 1.00 0.00 O ATOM 160 CB ALA A 8 10.247 -4.952 -10.221 1.00 0.00 C ATOM 0 H ALA A 8 8.342 -3.429 -10.431 1.00 0.00 H new ATOM 0 HA ALA A 8 8.558 -6.243 -10.133 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.951 -5.750 -9.985 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.184 -4.832 -11.302 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.591 -4.020 -9.772 1.00 0.00 H new ATOM 166 N ARG A 9 9.067 -4.438 -7.426 1.00 0.00 N ATOM 167 CA ARG A 9 9.109 -4.502 -5.975 1.00 0.00 C ATOM 168 C ARG A 9 7.734 -4.877 -5.420 1.00 0.00 C ATOM 169 O ARG A 9 7.636 -5.527 -4.380 1.00 0.00 O ATOM 170 CB ARG A 9 9.544 -3.162 -5.378 1.00 0.00 C ATOM 171 CG ARG A 9 8.650 -2.024 -5.875 1.00 0.00 C ATOM 172 CD ARG A 9 7.479 -1.789 -4.919 1.00 0.00 C ATOM 173 NE ARG A 9 7.963 -1.772 -3.520 1.00 0.00 N ATOM 174 CZ ARG A 9 7.168 -1.901 -2.449 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.847 -2.057 -2.610 1.00 0.00 N ATOM 176 NH2 ARG A 9 7.695 -1.874 -1.217 1.00 0.00 N ATOM 0 H ARG A 9 9.184 -3.503 -7.815 1.00 0.00 H new ATOM 0 HA ARG A 9 9.837 -5.265 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.502 -3.214 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.581 -2.959 -5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.237 -1.110 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.271 -2.262 -6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.990 -0.844 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.733 -2.574 -5.045 1.00 0.00 H new ATOM 0 HE ARG A 9 8.964 -1.655 -3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.446 -2.078 -3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.242 -2.155 -1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.701 -1.755 -1.095 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.090 -1.972 -0.401 1.00 0.00 H new ATOM 190 N ARG A 10 6.705 -4.452 -6.138 1.00 0.00 N ATOM 191 CA ARG A 10 5.339 -4.735 -5.730 1.00 0.00 C ATOM 192 C ARG A 10 5.085 -6.244 -5.737 1.00 0.00 C ATOM 193 O ARG A 10 4.387 -6.764 -4.868 1.00 0.00 O ATOM 194 CB ARG A 10 4.334 -4.052 -6.659 1.00 0.00 C ATOM 195 CG ARG A 10 3.711 -2.827 -5.986 1.00 0.00 C ATOM 196 CD ARG A 10 3.492 -1.699 -6.996 1.00 0.00 C ATOM 197 NE ARG A 10 3.790 -0.392 -6.368 1.00 0.00 N ATOM 198 CZ ARG A 10 2.884 0.356 -5.725 1.00 0.00 C ATOM 199 NH1 ARG A 10 1.617 -0.067 -5.621 1.00 0.00 N ATOM 200 NH2 ARG A 10 3.244 1.529 -5.186 1.00 0.00 N ATOM 0 H ARG A 10 6.790 -3.914 -7.000 1.00 0.00 H new ATOM 0 HA ARG A 10 5.207 -4.345 -4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.832 -3.751 -7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.551 -4.758 -6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.760 -3.102 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.360 -2.480 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.133 -1.849 -7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.462 -1.714 -7.353 1.00 0.00 H new ATOM 0 HE ARG A 10 4.745 -0.039 -6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.342 -0.959 -6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.928 0.503 -5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.208 1.852 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.554 2.099 -4.696 1.00 0.00 H new ATOM 214 N GLU A 11 5.666 -6.905 -6.728 1.00 0.00 N ATOM 215 CA GLU A 11 5.512 -8.344 -6.860 1.00 0.00 C ATOM 216 C GLU A 11 6.049 -9.051 -5.614 1.00 0.00 C ATOM 217 O GLU A 11 5.393 -9.936 -5.067 1.00 0.00 O ATOM 218 CB GLU A 11 6.205 -8.856 -8.124 1.00 0.00 C ATOM 219 CG GLU A 11 5.181 -9.242 -9.193 1.00 0.00 C ATOM 220 CD GLU A 11 5.865 -9.518 -10.533 1.00 0.00 C ATOM 221 OE1 GLU A 11 6.670 -8.656 -10.948 1.00 0.00 O ATOM 222 OE2 GLU A 11 5.568 -10.585 -11.113 1.00 0.00 O ATOM 0 H GLU A 11 6.244 -6.470 -7.447 1.00 0.00 H new ATOM 0 HA GLU A 11 4.450 -8.570 -6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.871 -8.087 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.824 -9.719 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.631 -10.127 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.453 -8.439 -9.311 1.00 0.00 H new ATOM 229 N ALA A 12 7.238 -8.636 -5.203 1.00 0.00 N ATOM 230 CA ALA A 12 7.871 -9.219 -4.032 1.00 0.00 C ATOM 231 C ALA A 12 7.132 -8.757 -2.775 1.00 0.00 C ATOM 232 O ALA A 12 6.999 -9.514 -1.815 1.00 0.00 O ATOM 233 CB ALA A 12 9.353 -8.838 -4.011 1.00 0.00 C ATOM 0 H ALA A 12 7.780 -7.903 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 12 7.814 -10.307 -4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.829 -9.275 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.838 -9.214 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.449 -7.753 -3.974 1.00 0.00 H new ATOM 239 N VAL A 13 6.670 -7.515 -2.821 1.00 0.00 N ATOM 240 CA VAL A 13 5.948 -6.943 -1.698 1.00 0.00 C ATOM 241 C VAL A 13 4.617 -7.678 -1.525 1.00 0.00 C ATOM 242 O VAL A 13 4.155 -7.877 -0.403 1.00 0.00 O ATOM 243 CB VAL A 13 5.777 -5.436 -1.898 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.617 -4.900 -1.058 1.00 0.00 C ATOM 245 CG2 VAL A 13 7.075 -4.690 -1.580 1.00 0.00 C ATOM 0 H VAL A 13 6.782 -6.890 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 13 6.513 -7.072 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 13 5.539 -5.262 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.517 -3.827 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.694 -5.399 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.812 -5.092 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.926 -3.621 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.356 -4.875 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.868 -5.042 -2.240 1.00 0.00 H new ATOM 255 N LEU A 14 4.039 -8.062 -2.654 1.00 0.00 N ATOM 256 CA LEU A 14 2.771 -8.771 -2.641 1.00 0.00 C ATOM 257 C LEU A 14 2.945 -10.106 -1.916 1.00 0.00 C ATOM 258 O LEU A 14 2.067 -10.527 -1.164 1.00 0.00 O ATOM 259 CB LEU A 14 2.221 -8.909 -4.062 1.00 0.00 C ATOM 260 CG LEU A 14 1.390 -7.732 -4.578 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.102 -8.070 -4.573 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.693 -6.459 -3.785 1.00 0.00 C ATOM 0 H LEU A 14 4.425 -7.896 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 14 2.023 -8.204 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.060 -9.061 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.607 -9.809 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 14 1.672 -7.541 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.670 -7.217 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.282 -8.932 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.419 -8.302 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.090 -5.637 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.456 -6.620 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.750 -6.211 -3.885 1.00 0.00 H new ATOM 274 N SER A 15 4.083 -10.736 -2.168 1.00 0.00 N ATOM 275 CA SER A 15 4.383 -12.016 -1.548 1.00 0.00 C ATOM 276 C SER A 15 4.472 -11.854 -0.029 1.00 0.00 C ATOM 277 O SER A 15 3.935 -12.670 0.718 1.00 0.00 O ATOM 278 CB SER A 15 5.686 -12.601 -2.096 1.00 0.00 C ATOM 279 OG SER A 15 5.480 -13.860 -2.731 1.00 0.00 O ATOM 0 H SER A 15 4.808 -10.384 -2.793 1.00 0.00 H new ATOM 0 HA SER A 15 3.576 -12.709 -1.786 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.125 -11.903 -2.809 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.401 -12.718 -1.282 1.00 0.00 H new ATOM 0 HG SER A 15 6.335 -14.200 -3.069 1.00 0.00 H new ATOM 285 N LEU A 16 5.153 -10.794 0.382 1.00 0.00 N ATOM 286 CA LEU A 16 5.319 -10.515 1.798 1.00 0.00 C ATOM 287 C LEU A 16 4.001 -9.987 2.367 1.00 0.00 C ATOM 288 O LEU A 16 3.687 -10.220 3.534 1.00 0.00 O ATOM 289 CB LEU A 16 6.506 -9.576 2.024 1.00 0.00 C ATOM 290 CG LEU A 16 6.481 -8.263 1.237 1.00 0.00 C ATOM 291 CD1 LEU A 16 5.561 -7.241 1.906 1.00 0.00 C ATOM 292 CD2 LEU A 16 7.897 -7.717 1.039 1.00 0.00 C ATOM 0 H LEU A 16 5.596 -10.119 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 16 5.558 -11.430 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.559 -9.339 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.421 -10.111 1.771 1.00 0.00 H new ATOM 0 HG LEU A 16 6.072 -8.465 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.561 -6.317 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.548 -7.640 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.918 -7.036 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.852 -6.784 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.355 -7.534 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.493 -8.444 0.488 1.00 0.00 H new ATOM 304 N CYS A 17 3.264 -9.287 1.517 1.00 0.00 N ATOM 305 CA CYS A 17 1.987 -8.725 1.921 1.00 0.00 C ATOM 306 C CYS A 17 1.092 -9.866 2.407 1.00 0.00 C ATOM 307 O CYS A 17 0.404 -9.733 3.418 1.00 0.00 O ATOM 308 CB CYS A 17 1.334 -7.931 0.787 1.00 0.00 C ATOM 309 SG CYS A 17 0.020 -8.931 -0.001 1.00 0.00 S ATOM 0 H CYS A 17 3.527 -9.096 0.550 1.00 0.00 H new ATOM 0 HA CYS A 17 2.141 -8.014 2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.913 -7.004 1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.085 -7.654 0.047 1.00 0.00 H new ATOM 0 HG CYS A 17 0.561 -9.865 -0.726 1.00 0.00 H new ATOM 315 N ALA A 18 1.129 -10.963 1.665 1.00 0.00 N ATOM 316 CA ALA A 18 0.330 -12.126 2.007 1.00 0.00 C ATOM 317 C ALA A 18 0.899 -12.777 3.269 1.00 0.00 C ATOM 318 O ALA A 18 0.154 -13.324 4.081 1.00 0.00 O ATOM 319 CB ALA A 18 0.295 -13.090 0.819 1.00 0.00 C ATOM 0 H ALA A 18 1.701 -11.070 0.827 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.698 -11.835 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.305 -13.963 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.145 -12.589 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.310 -13.406 0.577 1.00 0.00 H new ATOM 325 N ARG A 19 2.216 -12.696 3.396 1.00 0.00 N ATOM 326 CA ARG A 19 2.894 -13.271 4.546 1.00 0.00 C ATOM 327 C ARG A 19 2.598 -12.448 5.802 1.00 0.00 C ATOM 328 O ARG A 19 2.373 -13.007 6.875 1.00 0.00 O ATOM 329 CB ARG A 19 4.407 -13.323 4.323 1.00 0.00 C ATOM 330 CG ARG A 19 4.848 -14.721 3.885 1.00 0.00 C ATOM 331 CD ARG A 19 5.888 -14.642 2.765 1.00 0.00 C ATOM 332 NE ARG A 19 6.821 -15.786 2.859 1.00 0.00 N ATOM 333 CZ ARG A 19 7.960 -15.886 2.161 1.00 0.00 C ATOM 334 NH1 ARG A 19 8.314 -14.910 1.312 1.00 0.00 N ATOM 335 NH2 ARG A 19 8.746 -16.961 2.310 1.00 0.00 N ATOM 0 H ARG A 19 2.831 -12.241 2.722 1.00 0.00 H new ATOM 0 HA ARG A 19 2.522 -14.287 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.692 -12.594 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.924 -13.046 5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.266 -15.258 4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.983 -15.289 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.391 -14.646 1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.440 -13.705 2.836 1.00 0.00 H new ATOM 0 HE ARG A 19 6.582 -16.547 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.716 -14.092 1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.181 -14.986 0.781 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.477 -17.704 2.955 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.613 -17.036 1.778 1.00 0.00 H new ATOM 349 N HIS A 20 2.607 -11.135 5.626 1.00 0.00 N ATOM 350 CA HIS A 20 2.343 -10.231 6.732 1.00 0.00 C ATOM 351 C HIS A 20 0.882 -10.364 7.166 1.00 0.00 C ATOM 352 O HIS A 20 0.568 -10.243 8.349 1.00 0.00 O ATOM 353 CB HIS A 20 2.724 -8.796 6.363 1.00 0.00 C ATOM 354 CG HIS A 20 4.209 -8.524 6.407 1.00 0.00 C ATOM 355 ND1 HIS A 20 5.126 -8.423 5.403 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 4.899 -8.323 7.590 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 6.313 -8.172 5.943 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 6.174 -8.110 7.298 1.00 0.00 N flip ATOM 0 H HIS A 20 2.793 -10.676 4.734 1.00 0.00 H new ATOM 0 HA HIS A 20 2.965 -10.502 7.585 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.355 -8.579 5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.219 -8.110 7.044 1.00 0.00 H new ATOM 0 HD1 HIS A 20 4.933 -8.523 4.406 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.471 -8.337 8.582 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.236 -8.039 5.399 1.00 0.00 H new ATOM 366 N GLY A 21 0.027 -10.610 6.184 1.00 0.00 N ATOM 367 CA GLY A 21 -1.394 -10.760 6.449 1.00 0.00 C ATOM 368 C GLY A 21 -2.210 -9.727 5.669 1.00 0.00 C ATOM 369 O GLY A 21 -3.148 -9.139 6.205 1.00 0.00 O ATOM 0 H GLY A 21 0.291 -10.709 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.715 -11.765 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.582 -10.646 7.517 1.00 0.00 H new ATOM 373 N ALA A 22 -1.822 -9.537 4.417 1.00 0.00 N ATOM 374 CA ALA A 22 -2.505 -8.585 3.558 1.00 0.00 C ATOM 375 C ALA A 22 -3.188 -9.336 2.413 1.00 0.00 C ATOM 376 O ALA A 22 -2.521 -9.972 1.598 1.00 0.00 O ATOM 377 CB ALA A 22 -1.506 -7.540 3.056 1.00 0.00 C ATOM 0 H ALA A 22 -1.043 -10.026 3.976 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.279 -8.055 4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.019 -6.826 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.071 -7.014 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.715 -8.034 2.492 1.00 0.00 H new ATOM 383 N VAL A 23 -4.509 -9.237 2.387 1.00 0.00 N ATOM 384 CA VAL A 23 -5.289 -9.899 1.355 1.00 0.00 C ATOM 385 C VAL A 23 -5.590 -8.904 0.233 1.00 0.00 C ATOM 386 O VAL A 23 -5.353 -9.194 -0.939 1.00 0.00 O ATOM 387 CB VAL A 23 -6.552 -10.511 1.966 1.00 0.00 C ATOM 388 CG1 VAL A 23 -6.219 -11.310 3.227 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.597 -9.433 2.260 1.00 0.00 C ATOM 0 H VAL A 23 -5.059 -8.708 3.064 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.724 -10.722 0.917 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.977 -11.199 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.134 -11.734 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.527 -12.114 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.758 -10.652 3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.484 -9.895 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.185 -8.709 2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.868 -8.926 1.334 1.00 0.00 H new ATOM 399 N ARG A 24 -6.108 -7.751 0.630 1.00 0.00 N ATOM 400 CA ARG A 24 -6.443 -6.711 -0.329 1.00 0.00 C ATOM 401 C ARG A 24 -5.199 -5.894 -0.682 1.00 0.00 C ATOM 402 O ARG A 24 -4.690 -5.141 0.147 1.00 0.00 O ATOM 403 CB ARG A 24 -7.519 -5.776 0.227 1.00 0.00 C ATOM 404 CG ARG A 24 -8.893 -6.114 -0.354 1.00 0.00 C ATOM 405 CD ARG A 24 -10.002 -5.837 0.664 1.00 0.00 C ATOM 406 NE ARG A 24 -10.530 -7.112 1.197 1.00 0.00 N ATOM 407 CZ ARG A 24 -11.668 -7.220 1.897 1.00 0.00 C ATOM 408 NH1 ARG A 24 -12.402 -6.129 2.153 1.00 0.00 N ATOM 409 NH2 ARG A 24 -12.070 -8.418 2.341 1.00 0.00 N ATOM 0 H ARG A 24 -6.304 -7.514 1.602 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.828 -7.197 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.550 -5.857 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.265 -4.743 -0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.066 -5.525 -1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.919 -7.163 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.614 -5.225 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.805 -5.270 0.194 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.995 -7.962 1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.095 -5.217 1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.268 -6.210 2.686 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.510 -9.248 2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.936 -8.500 2.874 1.00 0.00 H new ATOM 423 N VAL A 25 -4.746 -6.069 -1.915 1.00 0.00 N ATOM 424 CA VAL A 25 -3.571 -5.357 -2.388 1.00 0.00 C ATOM 425 C VAL A 25 -3.954 -4.493 -3.591 1.00 0.00 C ATOM 426 O VAL A 25 -4.176 -5.009 -4.686 1.00 0.00 O ATOM 427 CB VAL A 25 -2.448 -6.349 -2.698 1.00 0.00 C ATOM 428 CG1 VAL A 25 -1.895 -6.970 -1.414 1.00 0.00 C ATOM 429 CG2 VAL A 25 -2.923 -7.430 -3.671 1.00 0.00 C ATOM 0 H VAL A 25 -5.171 -6.693 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.192 -4.689 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.639 -5.799 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.098 -7.671 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.499 -6.184 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.693 -7.498 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.105 -8.122 -3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.758 -7.975 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.245 -6.965 -4.603 1.00 0.00 H new ATOM 439 N ARG A 26 -4.020 -3.192 -3.348 1.00 0.00 N ATOM 440 CA ARG A 26 -4.373 -2.252 -4.398 1.00 0.00 C ATOM 441 C ARG A 26 -3.752 -0.882 -4.114 1.00 0.00 C ATOM 442 O ARG A 26 -3.476 -0.548 -2.962 1.00 0.00 O ATOM 443 CB ARG A 26 -5.891 -2.101 -4.516 1.00 0.00 C ATOM 444 CG ARG A 26 -6.483 -3.201 -5.399 1.00 0.00 C ATOM 445 CD ARG A 26 -8.011 -3.113 -5.434 1.00 0.00 C ATOM 446 NE ARG A 26 -8.570 -4.290 -6.136 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.850 -4.399 -6.516 1.00 0.00 C ATOM 448 NH1 ARG A 26 -10.711 -3.405 -6.264 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.269 -5.504 -7.149 1.00 0.00 N ATOM 0 H ARG A 26 -3.835 -2.767 -2.439 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.985 -2.644 -5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.343 -2.143 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.132 -1.124 -4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.087 -3.113 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.180 -4.178 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.404 -3.064 -4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.319 -2.198 -5.939 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.942 -5.066 -6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.392 -2.564 -5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.685 -3.489 -6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.613 -6.261 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.243 -5.587 -7.438 1.00 0.00 H new ATOM 463 N VAL A 27 -3.551 -0.126 -5.183 1.00 0.00 N ATOM 464 CA VAL A 27 -2.969 1.200 -5.063 1.00 0.00 C ATOM 465 C VAL A 27 -4.075 2.251 -5.172 1.00 0.00 C ATOM 466 O VAL A 27 -4.808 2.285 -6.160 1.00 0.00 O ATOM 467 CB VAL A 27 -1.865 1.383 -6.107 1.00 0.00 C ATOM 468 CG1 VAL A 27 -0.887 2.481 -5.684 1.00 0.00 C ATOM 469 CG2 VAL A 27 -1.132 0.065 -6.366 1.00 0.00 C ATOM 0 H VAL A 27 -3.781 -0.406 -6.136 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.499 1.324 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.334 1.694 -7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.113 2.591 -6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.423 3.423 -5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.427 2.212 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.353 0.223 -7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.681 -0.289 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.839 -0.679 -6.732 1.00 0.00 H new ATOM 479 N PHE A 28 -4.162 3.082 -4.144 1.00 0.00 N ATOM 480 CA PHE A 28 -5.167 4.131 -4.113 1.00 0.00 C ATOM 481 C PHE A 28 -4.519 5.506 -3.940 1.00 0.00 C ATOM 482 O PHE A 28 -3.654 5.685 -3.085 1.00 0.00 O ATOM 483 CB PHE A 28 -6.069 3.850 -2.909 1.00 0.00 C ATOM 484 CG PHE A 28 -5.587 4.494 -1.608 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.932 5.777 -1.315 1.00 0.00 C ATOM 486 CD2 PHE A 28 -4.815 3.784 -0.743 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.485 6.374 -0.107 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.368 4.381 0.466 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.713 5.664 0.758 1.00 0.00 C ATOM 0 H PHE A 28 -3.553 3.050 -3.326 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.727 4.138 -5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.074 4.209 -3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.140 2.772 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.546 6.341 -2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.541 2.765 -0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.758 7.393 0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.755 3.817 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.374 6.119 1.677 1.00 0.00 H new ATOM 499 N GLY A 29 -4.963 6.442 -4.766 1.00 0.00 N ATOM 500 CA GLY A 29 -4.438 7.796 -4.716 1.00 0.00 C ATOM 501 C GLY A 29 -3.773 8.175 -6.040 1.00 0.00 C ATOM 502 O GLY A 29 -4.038 7.559 -7.071 1.00 0.00 O ATOM 0 H GLY A 29 -5.681 6.289 -5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.245 8.495 -4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.715 7.880 -3.905 1.00 0.00 H new ATOM 506 N SER A 30 -2.922 9.189 -5.970 1.00 0.00 N ATOM 507 CA SER A 30 -2.217 9.658 -7.150 1.00 0.00 C ATOM 508 C SER A 30 -1.130 8.656 -7.544 1.00 0.00 C ATOM 509 O SER A 30 -0.835 8.487 -8.726 1.00 0.00 O ATOM 510 CB SER A 30 -1.605 11.040 -6.913 1.00 0.00 C ATOM 511 OG SER A 30 -2.010 11.596 -5.666 1.00 0.00 O ATOM 0 H SER A 30 -2.705 9.699 -5.113 1.00 0.00 H new ATOM 0 HA SER A 30 -2.935 9.744 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.518 10.965 -6.940 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.899 11.710 -7.721 1.00 0.00 H new ATOM 0 HG SER A 30 -1.597 12.477 -5.551 1.00 0.00 H new ATOM 517 N VAL A 31 -0.564 8.017 -6.531 1.00 0.00 N ATOM 518 CA VAL A 31 0.484 7.036 -6.756 1.00 0.00 C ATOM 519 C VAL A 31 -0.052 5.922 -7.658 1.00 0.00 C ATOM 520 O VAL A 31 0.615 5.513 -8.607 1.00 0.00 O ATOM 521 CB VAL A 31 1.013 6.519 -5.417 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.750 7.623 -4.655 1.00 0.00 C ATOM 523 CG2 VAL A 31 -0.118 5.930 -4.571 1.00 0.00 C ATOM 0 H VAL A 31 -0.811 8.160 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 31 1.330 7.492 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 31 1.727 5.722 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.116 7.229 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.592 7.976 -5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.068 8.451 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.285 5.570 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.866 6.699 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.580 5.101 -5.107 1.00 0.00 H new ATOM 533 N ALA A 32 -1.250 5.463 -7.329 1.00 0.00 N ATOM 534 CA ALA A 32 -1.883 4.405 -8.098 1.00 0.00 C ATOM 535 C ALA A 32 -1.992 4.838 -9.561 1.00 0.00 C ATOM 536 O ALA A 32 -1.815 4.026 -10.467 1.00 0.00 O ATOM 537 CB ALA A 32 -3.245 4.073 -7.485 1.00 0.00 C ATOM 0 H ALA A 32 -1.799 5.804 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.282 3.496 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.720 3.279 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.110 3.742 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.877 4.961 -7.501 1.00 0.00 H new ATOM 543 N ARG A 33 -2.284 6.117 -9.746 1.00 0.00 N ATOM 544 CA ARG A 33 -2.418 6.668 -11.083 1.00 0.00 C ATOM 545 C ARG A 33 -1.039 6.956 -11.681 1.00 0.00 C ATOM 546 O ARG A 33 -0.935 7.438 -12.807 1.00 0.00 O ATOM 547 CB ARG A 33 -3.239 7.960 -11.067 1.00 0.00 C ATOM 548 CG ARG A 33 -4.597 7.755 -11.742 1.00 0.00 C ATOM 549 CD ARG A 33 -5.257 9.097 -12.064 1.00 0.00 C ATOM 550 NE ARG A 33 -5.435 9.235 -13.527 1.00 0.00 N ATOM 551 CZ ARG A 33 -6.012 10.291 -14.117 1.00 0.00 C ATOM 552 NH1 ARG A 33 -6.470 11.307 -13.373 1.00 0.00 N ATOM 553 NH2 ARG A 33 -6.132 10.330 -15.451 1.00 0.00 N ATOM 0 H ARG A 33 -2.432 6.788 -8.992 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.935 5.929 -11.695 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.386 8.289 -10.038 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.690 8.750 -11.579 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.468 7.180 -12.659 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.248 7.173 -11.089 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.223 9.166 -11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.643 9.914 -11.685 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.097 8.479 -14.123 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.379 11.277 -12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.909 12.111 -13.822 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.784 9.556 -16.017 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.571 11.134 -15.900 1.00 0.00 H new ATOM 567 N GLY A 34 -0.015 6.647 -10.899 1.00 0.00 N ATOM 568 CA GLY A 34 1.353 6.866 -11.337 1.00 0.00 C ATOM 569 C GLY A 34 1.778 8.317 -11.103 1.00 0.00 C ATOM 570 O GLY A 34 2.494 8.897 -11.917 1.00 0.00 O ATOM 0 H GLY A 34 -0.105 6.247 -9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.023 6.196 -10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.443 6.623 -12.396 1.00 0.00 H new ATOM 574 N GLU A 35 1.317 8.862 -9.986 1.00 0.00 N ATOM 575 CA GLU A 35 1.641 10.235 -9.635 1.00 0.00 C ATOM 576 C GLU A 35 2.309 10.287 -8.260 1.00 0.00 C ATOM 577 O GLU A 35 1.763 9.782 -7.280 1.00 0.00 O ATOM 578 CB GLU A 35 0.392 11.118 -9.672 1.00 0.00 C ATOM 579 CG GLU A 35 -0.073 11.350 -11.111 1.00 0.00 C ATOM 580 CD GLU A 35 0.502 12.653 -11.670 1.00 0.00 C ATOM 581 OE1 GLU A 35 0.069 13.720 -11.184 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.363 12.553 -12.571 1.00 0.00 O ATOM 0 H GLU A 35 0.722 8.378 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 35 2.343 10.623 -10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.407 10.648 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.605 12.075 -9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.238 10.513 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.162 11.385 -11.144 1.00 0.00 H new ATOM 589 N ALA A 36 3.482 10.903 -8.231 1.00 0.00 N ATOM 590 CA ALA A 36 4.231 11.028 -6.992 1.00 0.00 C ATOM 591 C ALA A 36 5.689 11.360 -7.314 1.00 0.00 C ATOM 592 O ALA A 36 6.426 10.512 -7.815 1.00 0.00 O ATOM 593 CB ALA A 36 4.092 9.739 -6.179 1.00 0.00 C ATOM 0 H ALA A 36 3.932 11.321 -9.045 1.00 0.00 H new ATOM 0 HA ALA A 36 3.834 11.841 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.654 9.833 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.040 9.564 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.483 8.901 -6.756 1.00 0.00 H new ATOM 599 N ARG A 37 6.063 12.595 -7.013 1.00 0.00 N ATOM 600 CA ARG A 37 7.420 13.049 -7.264 1.00 0.00 C ATOM 601 C ARG A 37 8.399 12.337 -6.328 1.00 0.00 C ATOM 602 O ARG A 37 8.016 11.421 -5.602 1.00 0.00 O ATOM 603 CB ARG A 37 7.541 14.561 -7.064 1.00 0.00 C ATOM 604 CG ARG A 37 7.079 14.967 -5.663 1.00 0.00 C ATOM 605 CD ARG A 37 5.771 15.758 -5.725 1.00 0.00 C ATOM 606 NE ARG A 37 5.978 17.122 -5.190 1.00 0.00 N ATOM 607 CZ ARG A 37 6.530 18.126 -5.886 1.00 0.00 C ATOM 608 NH1 ARG A 37 6.933 17.924 -7.148 1.00 0.00 N ATOM 609 NH2 ARG A 37 6.678 19.331 -5.319 1.00 0.00 N ATOM 0 H ARG A 37 5.449 13.296 -6.597 1.00 0.00 H new ATOM 0 HA ARG A 37 7.663 12.811 -8.299 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.576 14.870 -7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.942 15.080 -7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.941 14.077 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.850 15.569 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.418 15.812 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.999 15.246 -5.150 1.00 0.00 H new ATOM 0 HE ARG A 37 5.682 17.310 -4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.820 17.006 -7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.353 18.688 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.371 19.484 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.098 20.095 -5.848 1.00 0.00 H new ATOM 623 N GLU A 38 9.645 12.786 -6.376 1.00 0.00 N ATOM 624 CA GLU A 38 10.682 12.204 -5.541 1.00 0.00 C ATOM 625 C GLU A 38 10.560 12.720 -4.106 1.00 0.00 C ATOM 626 O GLU A 38 11.289 12.277 -3.219 1.00 0.00 O ATOM 627 CB GLU A 38 12.072 12.494 -6.112 1.00 0.00 C ATOM 628 CG GLU A 38 12.181 12.014 -7.560 1.00 0.00 C ATOM 629 CD GLU A 38 13.076 12.945 -8.381 1.00 0.00 C ATOM 630 OE1 GLU A 38 14.310 12.777 -8.284 1.00 0.00 O ATOM 631 OE2 GLU A 38 12.505 13.805 -9.086 1.00 0.00 O ATOM 0 H GLU A 38 9.959 13.546 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 38 10.548 11.122 -5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.273 13.564 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.829 12.000 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.586 11.002 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.188 11.970 -8.008 1.00 0.00 H new ATOM 638 N ASP A 39 9.634 13.649 -3.921 1.00 0.00 N ATOM 639 CA ASP A 39 9.407 14.229 -2.609 1.00 0.00 C ATOM 640 C ASP A 39 7.933 14.068 -2.232 1.00 0.00 C ATOM 641 O ASP A 39 7.359 14.931 -1.570 1.00 0.00 O ATOM 642 CB ASP A 39 9.735 15.724 -2.603 1.00 0.00 C ATOM 643 CG ASP A 39 10.451 16.224 -1.347 1.00 0.00 C ATOM 644 OD1 ASP A 39 10.879 15.357 -0.555 1.00 0.00 O ATOM 645 OD2 ASP A 39 10.554 17.462 -1.208 1.00 0.00 O ATOM 0 H ASP A 39 9.032 14.015 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 39 10.053 13.715 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.356 15.948 -3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.808 16.285 -2.722 1.00 0.00 H new ATOM 650 N SER A 40 7.362 12.955 -2.670 1.00 0.00 N ATOM 651 CA SER A 40 5.966 12.669 -2.387 1.00 0.00 C ATOM 652 C SER A 40 5.852 11.398 -1.543 1.00 0.00 C ATOM 653 O SER A 40 6.832 10.675 -1.368 1.00 0.00 O ATOM 654 CB SER A 40 5.160 12.522 -3.679 1.00 0.00 C ATOM 655 OG SER A 40 5.613 11.426 -4.469 1.00 0.00 O ATOM 0 H SER A 40 7.841 12.241 -3.219 1.00 0.00 H new ATOM 0 HA SER A 40 5.553 13.508 -1.827 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.107 12.382 -3.435 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.234 13.442 -4.259 1.00 0.00 H new ATOM 0 HG SER A 40 6.591 11.450 -4.531 1.00 0.00 H new ATOM 661 N ASP A 41 4.648 11.163 -1.044 1.00 0.00 N ATOM 662 CA ASP A 41 4.394 9.991 -0.223 1.00 0.00 C ATOM 663 C ASP A 41 3.645 8.945 -1.052 1.00 0.00 C ATOM 664 O ASP A 41 3.091 9.263 -2.103 1.00 0.00 O ATOM 665 CB ASP A 41 3.527 10.343 0.987 1.00 0.00 C ATOM 666 CG ASP A 41 2.612 11.554 0.797 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.592 11.390 0.094 1.00 0.00 O ATOM 668 OD2 ASP A 41 2.954 12.617 1.359 1.00 0.00 O ATOM 0 H ASP A 41 3.837 11.764 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 41 5.354 9.606 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.913 9.478 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.179 10.530 1.840 1.00 0.00 H new ATOM 673 N LEU A 42 3.653 7.720 -0.548 1.00 0.00 N ATOM 674 CA LEU A 42 2.982 6.626 -1.229 1.00 0.00 C ATOM 675 C LEU A 42 1.804 6.148 -0.378 1.00 0.00 C ATOM 676 O LEU A 42 1.973 5.826 0.797 1.00 0.00 O ATOM 677 CB LEU A 42 3.979 5.519 -1.578 1.00 0.00 C ATOM 678 CG LEU A 42 3.409 4.101 -1.646 1.00 0.00 C ATOM 679 CD1 LEU A 42 3.096 3.568 -0.246 1.00 0.00 C ATOM 680 CD2 LEU A 42 2.189 4.043 -2.567 1.00 0.00 C ATOM 0 H LEU A 42 4.114 7.461 0.324 1.00 0.00 H new ATOM 0 HA LEU A 42 2.572 6.964 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.431 5.754 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.780 5.532 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 42 4.168 3.449 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.692 2.558 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.009 3.549 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.363 4.216 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.804 3.024 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.416 4.712 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.477 4.352 -3.572 1.00 0.00 H new ATOM 692 N ASP A 43 0.637 6.116 -1.004 1.00 0.00 N ATOM 693 CA ASP A 43 -0.569 5.682 -0.319 1.00 0.00 C ATOM 694 C ASP A 43 -0.934 4.270 -0.783 1.00 0.00 C ATOM 695 O ASP A 43 -1.074 4.024 -1.980 1.00 0.00 O ATOM 696 CB ASP A 43 -1.746 6.604 -0.638 1.00 0.00 C ATOM 697 CG ASP A 43 -1.631 8.020 -0.071 1.00 0.00 C ATOM 698 OD1 ASP A 43 -1.958 8.181 1.125 1.00 0.00 O ATOM 699 OD2 ASP A 43 -1.219 8.910 -0.845 1.00 0.00 O ATOM 0 H ASP A 43 0.501 6.384 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.374 5.705 0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.853 6.670 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.659 6.148 -0.255 1.00 0.00 H new ATOM 704 N LEU A 44 -1.078 3.381 0.188 1.00 0.00 N ATOM 705 CA LEU A 44 -1.424 2.001 -0.106 1.00 0.00 C ATOM 706 C LEU A 44 -2.527 1.541 0.850 1.00 0.00 C ATOM 707 O LEU A 44 -2.377 1.636 2.067 1.00 0.00 O ATOM 708 CB LEU A 44 -0.176 1.117 -0.076 1.00 0.00 C ATOM 709 CG LEU A 44 0.837 1.348 -1.199 1.00 0.00 C ATOM 710 CD1 LEU A 44 2.054 0.434 -1.036 1.00 0.00 C ATOM 711 CD2 LEU A 44 0.180 1.189 -2.571 1.00 0.00 C ATOM 0 H LEU A 44 -0.961 3.589 1.180 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.822 1.916 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.329 1.268 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.493 0.074 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 44 1.195 2.375 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.759 0.618 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.538 0.639 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.733 -0.607 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.922 1.358 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.224 0.181 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.627 1.914 -2.674 1.00 0.00 H new ATOM 723 N LEU A 45 -3.610 1.054 0.263 1.00 0.00 N ATOM 724 CA LEU A 45 -4.737 0.579 1.048 1.00 0.00 C ATOM 725 C LEU A 45 -4.732 -0.951 1.066 1.00 0.00 C ATOM 726 O LEU A 45 -4.955 -1.588 0.037 1.00 0.00 O ATOM 727 CB LEU A 45 -6.043 1.184 0.530 1.00 0.00 C ATOM 728 CG LEU A 45 -7.320 0.734 1.242 1.00 0.00 C ATOM 729 CD1 LEU A 45 -8.014 -0.388 0.467 1.00 0.00 C ATOM 730 CD2 LEU A 45 -7.028 0.335 2.690 1.00 0.00 C ATOM 0 H LEU A 45 -3.731 0.978 -0.747 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.648 0.910 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.972 2.269 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.137 0.943 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.010 1.578 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.919 -0.689 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.276 -0.033 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.342 -1.242 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.952 0.019 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.312 -0.487 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.611 1.188 3.226 1.00 0.00 H new ATOM 742 N VAL A 46 -4.477 -1.496 2.246 1.00 0.00 N ATOM 743 CA VAL A 46 -4.441 -2.940 2.411 1.00 0.00 C ATOM 744 C VAL A 46 -5.446 -3.351 3.488 1.00 0.00 C ATOM 745 O VAL A 46 -5.843 -2.533 4.317 1.00 0.00 O ATOM 746 CB VAL A 46 -3.013 -3.395 2.721 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.273 -3.787 1.440 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.247 -2.315 3.488 1.00 0.00 C ATOM 0 H VAL A 46 -4.293 -0.965 3.097 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.734 -3.438 1.487 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.073 -4.278 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.261 -4.106 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.802 -4.605 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.229 -2.930 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.235 -2.664 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.201 -1.406 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.758 -2.104 4.428 1.00 0.00 H new ATOM 758 N ALA A 47 -5.830 -4.618 3.442 1.00 0.00 N ATOM 759 CA ALA A 47 -6.781 -5.148 4.404 1.00 0.00 C ATOM 760 C ALA A 47 -6.136 -6.305 5.169 1.00 0.00 C ATOM 761 O ALA A 47 -5.732 -7.300 4.571 1.00 0.00 O ATOM 762 CB ALA A 47 -8.060 -5.571 3.677 1.00 0.00 C ATOM 0 H ALA A 47 -5.499 -5.294 2.753 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.056 -4.385 5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.774 -5.969 4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.495 -4.707 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.823 -6.338 2.940 1.00 0.00 H new ATOM 768 N PHE A 48 -6.060 -6.134 6.481 1.00 0.00 N ATOM 769 CA PHE A 48 -5.470 -7.152 7.335 1.00 0.00 C ATOM 770 C PHE A 48 -6.543 -8.091 7.889 1.00 0.00 C ATOM 771 O PHE A 48 -7.573 -7.638 8.387 1.00 0.00 O ATOM 772 CB PHE A 48 -4.796 -6.423 8.499 1.00 0.00 C ATOM 773 CG PHE A 48 -3.493 -5.716 8.119 1.00 0.00 C ATOM 774 CD1 PHE A 48 -2.316 -6.396 8.150 1.00 0.00 C ATOM 775 CD2 PHE A 48 -3.513 -4.407 7.751 1.00 0.00 C ATOM 776 CE1 PHE A 48 -1.107 -5.740 7.798 1.00 0.00 C ATOM 777 CE2 PHE A 48 -2.304 -3.750 7.399 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.127 -4.430 7.430 1.00 0.00 C ATOM 0 H PHE A 48 -6.397 -5.307 6.973 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.760 -7.751 6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.491 -5.688 8.906 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.590 -7.140 9.293 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.301 -7.436 8.442 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.448 -3.867 7.726 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.172 -6.280 7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.320 -2.710 7.107 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.208 -3.930 7.162 1.00 0.00 H new ATOM 788 N GLU A 49 -6.266 -9.382 7.785 1.00 0.00 N ATOM 789 CA GLU A 49 -7.194 -10.389 8.270 1.00 0.00 C ATOM 790 C GLU A 49 -7.522 -10.143 9.744 1.00 0.00 C ATOM 791 O GLU A 49 -7.114 -9.132 10.313 1.00 0.00 O ATOM 792 CB GLU A 49 -6.634 -11.798 8.060 1.00 0.00 C ATOM 793 CG GLU A 49 -6.587 -12.153 6.573 1.00 0.00 C ATOM 794 CD GLU A 49 -6.514 -13.669 6.374 1.00 0.00 C ATOM 795 OE1 GLU A 49 -5.380 -14.193 6.422 1.00 0.00 O ATOM 796 OE2 GLU A 49 -7.593 -14.269 6.178 1.00 0.00 O ATOM 0 H GLU A 49 -5.411 -9.754 7.372 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.117 -10.311 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.632 -11.862 8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.252 -12.522 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.472 -11.759 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.722 -11.679 6.109 1.00 0.00 H new ATOM 803 N GLU A 50 -8.256 -11.084 10.319 1.00 0.00 N ATOM 804 CA GLU A 50 -8.643 -10.982 11.716 1.00 0.00 C ATOM 805 C GLU A 50 -7.606 -11.671 12.606 1.00 0.00 C ATOM 806 O GLU A 50 -7.877 -11.961 13.770 1.00 0.00 O ATOM 807 CB GLU A 50 -10.037 -11.571 11.943 1.00 0.00 C ATOM 808 CG GLU A 50 -11.028 -11.050 10.900 1.00 0.00 C ATOM 809 CD GLU A 50 -11.759 -9.806 11.411 1.00 0.00 C ATOM 810 OE1 GLU A 50 -11.089 -8.755 11.509 1.00 0.00 O ATOM 811 OE2 GLU A 50 -12.970 -9.935 11.692 1.00 0.00 O ATOM 0 H GLU A 50 -8.593 -11.921 9.843 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.681 -9.927 11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.989 -12.659 11.893 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.386 -11.313 12.943 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.499 -10.812 9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.752 -11.829 10.660 1.00 0.00 H new ATOM 818 N GLY A 51 -6.440 -11.911 12.024 1.00 0.00 N ATOM 819 CA GLY A 51 -5.361 -12.560 12.750 1.00 0.00 C ATOM 820 C GLY A 51 -4.051 -11.785 12.593 1.00 0.00 C ATOM 821 O GLY A 51 -2.970 -12.368 12.653 1.00 0.00 O ATOM 0 H GLY A 51 -6.219 -11.668 11.058 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.621 -12.632 13.806 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.232 -13.578 12.383 1.00 0.00 H new ATOM 825 N ARG A 52 -4.192 -10.482 12.395 1.00 0.00 N ATOM 826 CA ARG A 52 -3.033 -9.621 12.229 1.00 0.00 C ATOM 827 C ARG A 52 -3.077 -8.472 13.237 1.00 0.00 C ATOM 828 O ARG A 52 -4.153 -7.994 13.592 1.00 0.00 O ATOM 829 CB ARG A 52 -2.972 -9.046 10.812 1.00 0.00 C ATOM 830 CG ARG A 52 -3.249 -10.130 9.768 1.00 0.00 C ATOM 831 CD ARG A 52 -2.173 -11.217 9.807 1.00 0.00 C ATOM 832 NE ARG A 52 -2.551 -12.335 8.915 1.00 0.00 N ATOM 833 CZ ARG A 52 -1.804 -13.432 8.727 1.00 0.00 C ATOM 834 NH1 ARG A 52 -0.635 -13.563 9.368 1.00 0.00 N ATOM 835 NH2 ARG A 52 -2.226 -14.396 7.898 1.00 0.00 N ATOM 0 H ARG A 52 -5.091 -10.002 12.346 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.143 -10.226 12.402 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.702 -8.243 10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.989 -8.608 10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.227 -10.575 9.951 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.283 -9.683 8.775 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.214 -10.802 9.497 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.049 -11.581 10.827 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.435 -12.267 8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.314 -12.828 9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.066 -14.397 9.226 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.116 -14.295 7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.657 -15.231 7.755 1.00 0.00 H new ATOM 849 N THR A 53 -1.894 -8.061 13.670 1.00 0.00 N ATOM 850 CA THR A 53 -1.784 -6.977 14.631 1.00 0.00 C ATOM 851 C THR A 53 -1.037 -5.792 14.014 1.00 0.00 C ATOM 852 O THR A 53 -0.514 -5.892 12.906 1.00 0.00 O ATOM 853 CB THR A 53 -1.114 -7.528 15.891 1.00 0.00 C ATOM 854 OG1 THR A 53 0.254 -7.677 15.520 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.568 -8.951 16.222 1.00 0.00 C ATOM 0 H THR A 53 -1.003 -8.459 13.373 1.00 0.00 H new ATOM 0 HA THR A 53 -2.766 -6.594 14.909 1.00 0.00 H new ATOM 0 HB THR A 53 -1.333 -6.873 16.734 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.763 -8.028 16.280 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.062 -9.294 17.125 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.646 -8.961 16.384 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.320 -9.614 15.393 1.00 0.00 H new ATOM 863 N LEU A 54 -1.013 -4.697 14.760 1.00 0.00 N ATOM 864 CA LEU A 54 -0.339 -3.494 14.300 1.00 0.00 C ATOM 865 C LEU A 54 1.143 -3.799 14.075 1.00 0.00 C ATOM 866 O LEU A 54 1.791 -3.166 13.243 1.00 0.00 O ATOM 867 CB LEU A 54 -0.588 -2.337 15.270 1.00 0.00 C ATOM 868 CG LEU A 54 -0.887 -0.979 14.631 1.00 0.00 C ATOM 869 CD1 LEU A 54 0.343 -0.432 13.904 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.106 -1.062 13.710 1.00 0.00 C ATOM 0 H LEU A 54 -1.449 -4.617 15.679 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.747 -3.171 13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.424 -2.604 15.916 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.288 -2.230 15.910 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.131 -0.275 15.426 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.103 0.534 13.459 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.161 -0.311 14.614 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.642 -1.128 13.120 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.296 -0.083 13.269 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.915 -1.786 12.918 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.977 -1.376 14.286 1.00 0.00 H new ATOM 882 N LEU A 55 1.636 -4.770 14.830 1.00 0.00 N ATOM 883 CA LEU A 55 3.030 -5.167 14.723 1.00 0.00 C ATOM 884 C LEU A 55 3.334 -5.560 13.276 1.00 0.00 C ATOM 885 O LEU A 55 4.363 -5.172 12.726 1.00 0.00 O ATOM 886 CB LEU A 55 3.354 -6.263 15.740 1.00 0.00 C ATOM 887 CG LEU A 55 4.440 -5.927 16.764 1.00 0.00 C ATOM 888 CD1 LEU A 55 5.742 -5.521 16.069 1.00 0.00 C ATOM 889 CD2 LEU A 55 3.957 -4.858 17.746 1.00 0.00 C ATOM 0 H LEU A 55 1.095 -5.294 15.518 1.00 0.00 H new ATOM 0 HA LEU A 55 3.685 -4.331 14.971 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.440 -6.514 16.278 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.659 -7.157 15.196 1.00 0.00 H new ATOM 0 HG LEU A 55 4.651 -6.825 17.345 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.497 -5.287 16.819 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.093 -6.343 15.445 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.564 -4.643 15.447 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.748 -4.638 18.463 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.700 -3.951 17.199 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.078 -5.222 18.277 1.00 0.00 H new ATOM 901 N ASP A 56 2.419 -6.327 12.700 1.00 0.00 N ATOM 902 CA ASP A 56 2.577 -6.778 11.328 1.00 0.00 C ATOM 903 C ASP A 56 2.424 -5.584 10.383 1.00 0.00 C ATOM 904 O ASP A 56 3.116 -5.498 9.370 1.00 0.00 O ATOM 905 CB ASP A 56 1.509 -7.810 10.962 1.00 0.00 C ATOM 906 CG ASP A 56 1.667 -9.173 11.639 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.619 -9.302 12.438 1.00 0.00 O ATOM 908 OD2 ASP A 56 0.832 -10.055 11.342 1.00 0.00 O ATOM 0 H ASP A 56 1.566 -6.647 13.159 1.00 0.00 H new ATOM 0 HA ASP A 56 3.564 -7.231 11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.530 -7.405 11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.520 -7.954 9.882 1.00 0.00 H new ATOM 913 N HIS A 57 1.514 -4.693 10.749 1.00 0.00 N ATOM 914 CA HIS A 57 1.262 -3.509 9.946 1.00 0.00 C ATOM 915 C HIS A 57 2.548 -2.689 9.823 1.00 0.00 C ATOM 916 O HIS A 57 2.957 -2.332 8.719 1.00 0.00 O ATOM 917 CB HIS A 57 0.097 -2.700 10.521 1.00 0.00 C ATOM 918 CG HIS A 57 -1.213 -3.450 10.555 1.00 0.00 C ATOM 919 ND1 HIS A 57 -1.474 -4.785 10.657 1.00 0.00 N flip ATOM 920 CD2 HIS A 57 -2.441 -2.817 10.479 1.00 0.00 C flip ATOM 921 CE1 HIS A 57 -2.789 -4.958 10.645 1.00 0.00 C flip ATOM 922 NE2 HIS A 57 -3.391 -3.739 10.534 1.00 0.00 N flip ATOM 0 H HIS A 57 0.943 -4.767 11.591 1.00 0.00 H new ATOM 0 HA HIS A 57 0.962 -3.805 8.941 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.351 -2.386 11.534 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.030 -1.794 9.929 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -0.776 -5.525 10.730 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.598 -1.752 10.390 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.299 -5.908 10.712 1.00 0.00 H new ATOM 930 N ALA A 58 3.150 -2.416 10.971 1.00 0.00 N ATOM 931 CA ALA A 58 4.382 -1.646 11.005 1.00 0.00 C ATOM 932 C ALA A 58 5.488 -2.428 10.293 1.00 0.00 C ATOM 933 O ALA A 58 6.317 -1.843 9.597 1.00 0.00 O ATOM 934 CB ALA A 58 4.740 -1.320 12.456 1.00 0.00 C ATOM 0 H ALA A 58 2.808 -2.714 11.884 1.00 0.00 H new ATOM 0 HA ALA A 58 4.257 -0.699 10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.664 -0.742 12.482 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.936 -0.739 12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.875 -2.246 13.014 1.00 0.00 H new ATOM 940 N ARG A 59 5.464 -3.738 10.492 1.00 0.00 N ATOM 941 CA ARG A 59 6.454 -4.605 9.877 1.00 0.00 C ATOM 942 C ARG A 59 6.334 -4.553 8.353 1.00 0.00 C ATOM 943 O ARG A 59 7.340 -4.563 7.646 1.00 0.00 O ATOM 944 CB ARG A 59 6.285 -6.052 10.346 1.00 0.00 C ATOM 945 CG ARG A 59 7.053 -6.301 11.645 1.00 0.00 C ATOM 946 CD ARG A 59 8.465 -6.815 11.358 1.00 0.00 C ATOM 947 NE ARG A 59 8.716 -8.058 12.121 1.00 0.00 N ATOM 948 CZ ARG A 59 9.937 -8.524 12.416 1.00 0.00 C ATOM 949 NH1 ARG A 59 11.026 -7.855 12.013 1.00 0.00 N ATOM 950 NH2 ARG A 59 10.070 -9.661 13.113 1.00 0.00 N ATOM 0 H ARG A 59 4.775 -4.219 11.070 1.00 0.00 H new ATOM 0 HA ARG A 59 7.439 -4.249 10.179 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.227 -6.268 10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.641 -6.733 9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.109 -5.377 12.221 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.515 -7.026 12.256 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.582 -7.004 10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.199 -6.057 11.630 1.00 0.00 H new ATOM 0 HE ARG A 59 7.909 -8.593 12.442 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.926 -6.990 11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.955 -8.210 12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.242 -10.172 13.419 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.000 -10.016 13.338 1.00 0.00 H new ATOM 964 N LEU A 60 5.093 -4.497 7.891 1.00 0.00 N ATOM 965 CA LEU A 60 4.828 -4.442 6.463 1.00 0.00 C ATOM 966 C LEU A 60 5.209 -3.059 5.931 1.00 0.00 C ATOM 967 O LEU A 60 5.887 -2.949 4.911 1.00 0.00 O ATOM 968 CB LEU A 60 3.378 -4.835 6.172 1.00 0.00 C ATOM 969 CG LEU A 60 3.154 -5.699 4.930 1.00 0.00 C ATOM 970 CD1 LEU A 60 1.781 -5.426 4.313 1.00 0.00 C ATOM 971 CD2 LEU A 60 4.285 -5.507 3.917 1.00 0.00 C ATOM 0 H LEU A 60 4.260 -4.489 8.480 1.00 0.00 H new ATOM 0 HA LEU A 60 5.444 -5.169 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.987 -5.370 7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.789 -3.924 6.067 1.00 0.00 H new ATOM 0 HG LEU A 60 3.168 -6.745 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.647 -6.053 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.003 -5.653 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.713 -4.377 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.101 -6.133 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.327 -4.461 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.234 -5.790 4.373 1.00 0.00 H new ATOM 983 N LYS A 61 4.757 -2.040 6.645 1.00 0.00 N ATOM 984 CA LYS A 61 5.042 -0.669 6.257 1.00 0.00 C ATOM 985 C LYS A 61 6.557 -0.471 6.177 1.00 0.00 C ATOM 986 O LYS A 61 7.071 0.011 5.168 1.00 0.00 O ATOM 987 CB LYS A 61 4.343 0.312 7.201 1.00 0.00 C ATOM 988 CG LYS A 61 5.286 1.444 7.613 1.00 0.00 C ATOM 989 CD LYS A 61 5.577 2.372 6.432 1.00 0.00 C ATOM 990 CE LYS A 61 6.109 3.723 6.914 1.00 0.00 C ATOM 991 NZ LYS A 61 5.000 4.570 7.409 1.00 0.00 N ATOM 0 H LYS A 61 4.195 -2.136 7.491 1.00 0.00 H new ATOM 0 HA LYS A 61 4.640 -0.463 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.462 0.728 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.995 -0.217 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.840 2.015 8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.219 1.026 7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.306 1.906 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.668 2.522 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.840 3.570 7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.625 4.229 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.379 5.304 8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.521 5.021 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.320 3.981 7.931 1.00 0.00 H new ATOM 1005 N LEU A 62 7.229 -0.852 7.253 1.00 0.00 N ATOM 1006 CA LEU A 62 8.675 -0.722 7.317 1.00 0.00 C ATOM 1007 C LEU A 62 9.312 -1.636 6.268 1.00 0.00 C ATOM 1008 O LEU A 62 10.327 -1.286 5.668 1.00 0.00 O ATOM 1009 CB LEU A 62 9.173 -0.980 8.740 1.00 0.00 C ATOM 1010 CG LEU A 62 9.640 -2.406 9.040 1.00 0.00 C ATOM 1011 CD1 LEU A 62 10.933 -2.728 8.289 1.00 0.00 C ATOM 1012 CD2 LEU A 62 9.781 -2.631 10.547 1.00 0.00 C ATOM 0 H LEU A 62 6.799 -1.251 8.088 1.00 0.00 H new ATOM 0 HA LEU A 62 8.977 0.298 7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.999 -0.298 8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.372 -0.728 9.435 1.00 0.00 H new ATOM 0 HG LEU A 62 8.878 -3.098 8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.243 -3.747 8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.764 -2.634 7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.714 -2.033 8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.114 -3.652 10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.512 -1.931 10.953 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.818 -2.470 11.031 1.00 0.00 H new ATOM 1024 N ALA A 63 8.689 -2.790 6.078 1.00 0.00 N ATOM 1025 CA ALA A 63 9.182 -3.757 5.112 1.00 0.00 C ATOM 1026 C ALA A 63 9.092 -3.158 3.707 1.00 0.00 C ATOM 1027 O ALA A 63 9.992 -3.347 2.889 1.00 0.00 O ATOM 1028 CB ALA A 63 8.389 -5.059 5.242 1.00 0.00 C ATOM 0 H ALA A 63 7.847 -3.077 6.577 1.00 0.00 H new ATOM 0 HA ALA A 63 10.229 -3.992 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.759 -5.784 4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.509 -5.459 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.334 -4.863 5.053 1.00 0.00 H new ATOM 1034 N LEU A 64 7.999 -2.447 3.469 1.00 0.00 N ATOM 1035 CA LEU A 64 7.781 -1.820 2.177 1.00 0.00 C ATOM 1036 C LEU A 64 8.731 -0.630 2.026 1.00 0.00 C ATOM 1037 O LEU A 64 9.125 -0.283 0.914 1.00 0.00 O ATOM 1038 CB LEU A 64 6.306 -1.455 2.001 1.00 0.00 C ATOM 1039 CG LEU A 64 5.313 -2.617 2.084 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.223 -2.484 1.018 1.00 0.00 C ATOM 1041 CD2 LEU A 64 6.036 -3.963 1.999 1.00 0.00 C ATOM 0 H LEU A 64 7.255 -2.292 4.149 1.00 0.00 H new ATOM 0 HA LEU A 64 8.012 -2.517 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.040 -0.721 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.186 -0.968 1.033 1.00 0.00 H new ATOM 0 HG LEU A 64 4.820 -2.577 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.531 -3.322 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.681 -1.550 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.680 -2.485 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.308 -4.772 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.572 -4.029 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.744 -4.049 2.824 1.00 0.00 H new ATOM 1053 N GLU A 65 9.070 -0.037 3.161 1.00 0.00 N ATOM 1054 CA GLU A 65 9.966 1.107 3.169 1.00 0.00 C ATOM 1055 C GLU A 65 11.372 0.684 2.739 1.00 0.00 C ATOM 1056 O GLU A 65 12.098 1.463 2.124 1.00 0.00 O ATOM 1057 CB GLU A 65 9.992 1.774 4.546 1.00 0.00 C ATOM 1058 CG GLU A 65 8.921 2.862 4.649 1.00 0.00 C ATOM 1059 CD GLU A 65 9.180 3.774 5.850 1.00 0.00 C ATOM 1060 OE1 GLU A 65 9.808 3.281 6.812 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.743 4.943 5.779 1.00 0.00 O ATOM 0 H GLU A 65 8.740 -0.327 4.082 1.00 0.00 H new ATOM 0 HA GLU A 65 9.593 1.840 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.829 1.024 5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.975 2.209 4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.910 3.454 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.938 2.402 4.743 1.00 0.00 H new ATOM 1068 N GLY A 66 11.713 -0.551 3.079 1.00 0.00 N ATOM 1069 CA GLY A 66 13.019 -1.087 2.735 1.00 0.00 C ATOM 1070 C GLY A 66 13.112 -1.387 1.237 1.00 0.00 C ATOM 1071 O GLY A 66 14.111 -1.063 0.597 1.00 0.00 O ATOM 0 H GLY A 66 11.108 -1.195 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.794 -0.374 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.203 -1.998 3.304 1.00 0.00 H new ATOM 1075 N LEU A 67 12.057 -2.002 0.723 1.00 0.00 N ATOM 1076 CA LEU A 67 12.007 -2.348 -0.687 1.00 0.00 C ATOM 1077 C LEU A 67 12.013 -1.067 -1.523 1.00 0.00 C ATOM 1078 O LEU A 67 12.754 -0.962 -2.500 1.00 0.00 O ATOM 1079 CB LEU A 67 10.814 -3.263 -0.972 1.00 0.00 C ATOM 1080 CG LEU A 67 11.153 -4.685 -1.425 1.00 0.00 C ATOM 1081 CD1 LEU A 67 11.227 -5.638 -0.231 1.00 0.00 C ATOM 1082 CD2 LEU A 67 10.164 -5.172 -2.486 1.00 0.00 C ATOM 0 H LEU A 67 11.231 -2.269 1.258 1.00 0.00 H new ATOM 0 HA LEU A 67 12.892 -2.918 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.206 -3.326 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.198 -2.795 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 67 12.140 -4.670 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.469 -6.641 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.999 -5.298 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.265 -5.655 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.427 -6.185 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.155 -5.168 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.204 -4.511 -3.351 1.00 0.00 H new ATOM 1094 N LEU A 68 11.178 -0.125 -1.110 1.00 0.00 N ATOM 1095 CA LEU A 68 11.078 1.145 -1.809 1.00 0.00 C ATOM 1096 C LEU A 68 12.188 2.079 -1.323 1.00 0.00 C ATOM 1097 O LEU A 68 12.466 3.099 -1.952 1.00 0.00 O ATOM 1098 CB LEU A 68 9.672 1.730 -1.659 1.00 0.00 C ATOM 1099 CG LEU A 68 8.524 0.856 -2.169 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.307 0.957 -1.248 1.00 0.00 C ATOM 1101 CD2 LEU A 68 8.176 1.201 -3.619 1.00 0.00 C ATOM 0 H LEU A 68 10.564 -0.216 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 68 11.227 1.003 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.499 1.943 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.638 2.683 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 68 8.853 -0.183 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.506 0.326 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.580 0.625 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.967 1.992 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.357 0.566 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.874 2.246 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.048 1.037 -4.252 1.00 0.00 H new ATOM 1113 N GLY A 69 12.792 1.698 -0.207 1.00 0.00 N ATOM 1114 CA GLY A 69 13.865 2.488 0.371 1.00 0.00 C ATOM 1115 C GLY A 69 13.449 3.953 0.518 1.00 0.00 C ATOM 1116 O GLY A 69 14.298 4.835 0.632 1.00 0.00 O ATOM 0 H GLY A 69 12.558 0.852 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.135 2.083 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.752 2.419 -0.259 1.00 0.00 H new ATOM 1120 N VAL A 70 12.141 4.167 0.511 1.00 0.00 N ATOM 1121 CA VAL A 70 11.602 5.510 0.642 1.00 0.00 C ATOM 1122 C VAL A 70 10.341 5.467 1.508 1.00 0.00 C ATOM 1123 O VAL A 70 9.626 4.466 1.519 1.00 0.00 O ATOM 1124 CB VAL A 70 11.355 6.113 -0.743 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.639 6.115 -1.576 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.231 5.373 -1.470 1.00 0.00 C ATOM 0 H VAL A 70 11.439 3.433 0.417 1.00 0.00 H new ATOM 0 HA VAL A 70 12.319 6.161 1.142 1.00 0.00 H new ATOM 0 HB VAL A 70 11.042 7.148 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.437 6.548 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.401 6.706 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.995 5.092 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.076 5.821 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.503 4.324 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.312 5.445 -0.888 1.00 0.00 H new ATOM 1136 N ARG A 71 10.108 6.564 2.213 1.00 0.00 N ATOM 1137 CA ARG A 71 8.946 6.664 3.080 1.00 0.00 C ATOM 1138 C ARG A 71 7.726 6.032 2.407 1.00 0.00 C ATOM 1139 O ARG A 71 7.479 6.258 1.223 1.00 0.00 O ATOM 1140 CB ARG A 71 8.635 8.123 3.418 1.00 0.00 C ATOM 1141 CG ARG A 71 9.767 8.750 4.235 1.00 0.00 C ATOM 1142 CD ARG A 71 9.716 8.282 5.691 1.00 0.00 C ATOM 1143 NE ARG A 71 10.358 9.286 6.568 1.00 0.00 N ATOM 1144 CZ ARG A 71 9.836 10.490 6.838 1.00 0.00 C ATOM 1145 NH1 ARG A 71 8.662 10.848 6.301 1.00 0.00 N ATOM 1146 NH2 ARG A 71 10.489 11.338 7.646 1.00 0.00 N ATOM 0 H ARG A 71 10.704 7.392 2.202 1.00 0.00 H new ATOM 0 HA ARG A 71 9.174 6.130 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.488 8.690 2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.702 8.179 3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.728 8.482 3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.690 9.837 4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.681 8.129 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.223 7.322 5.791 1.00 0.00 H new ATOM 0 HE ARG A 71 11.254 9.047 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.165 10.204 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.265 11.765 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.383 11.066 8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.092 12.255 7.852 1.00 0.00 H new ATOM 1160 N VAL A 72 6.995 5.253 3.190 1.00 0.00 N ATOM 1161 CA VAL A 72 5.806 4.587 2.685 1.00 0.00 C ATOM 1162 C VAL A 72 4.659 4.778 3.679 1.00 0.00 C ATOM 1163 O VAL A 72 4.874 4.772 4.890 1.00 0.00 O ATOM 1164 CB VAL A 72 6.112 3.115 2.400 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.852 2.258 2.534 1.00 0.00 C ATOM 1166 CG2 VAL A 72 6.748 2.945 1.019 1.00 0.00 C ATOM 0 H VAL A 72 7.203 5.068 4.171 1.00 0.00 H new ATOM 0 HA VAL A 72 5.493 5.029 1.739 1.00 0.00 H new ATOM 0 HB VAL A 72 6.831 2.771 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.097 1.216 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.460 2.344 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.100 2.603 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.955 1.890 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.063 3.314 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.679 3.510 0.975 1.00 0.00 H new ATOM 1176 N ASP A 73 3.464 4.943 3.130 1.00 0.00 N ATOM 1177 CA ASP A 73 2.282 5.135 3.953 1.00 0.00 C ATOM 1178 C ASP A 73 1.264 4.037 3.639 1.00 0.00 C ATOM 1179 O ASP A 73 0.701 4.001 2.546 1.00 0.00 O ATOM 1180 CB ASP A 73 1.625 6.486 3.665 1.00 0.00 C ATOM 1181 CG ASP A 73 1.768 7.525 4.779 1.00 0.00 C ATOM 1182 OD1 ASP A 73 2.926 7.912 5.049 1.00 0.00 O ATOM 1183 OD2 ASP A 73 0.717 7.910 5.335 1.00 0.00 O ATOM 0 H ASP A 73 3.289 4.948 2.125 1.00 0.00 H new ATOM 0 HA ASP A 73 2.589 5.099 4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.055 6.894 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.564 6.324 3.474 1.00 0.00 H new ATOM 1188 N ILE A 74 1.058 3.168 4.618 1.00 0.00 N ATOM 1189 CA ILE A 74 0.117 2.072 4.461 1.00 0.00 C ATOM 1190 C ILE A 74 -1.181 2.411 5.196 1.00 0.00 C ATOM 1191 O ILE A 74 -1.150 2.925 6.314 1.00 0.00 O ATOM 1192 CB ILE A 74 0.752 0.754 4.907 1.00 0.00 C ATOM 1193 CG1 ILE A 74 1.939 0.387 4.015 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.291 -0.365 4.963 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.455 -1.017 4.339 1.00 0.00 C ATOM 0 H ILE A 74 1.527 3.201 5.523 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.139 1.936 3.410 1.00 0.00 H new ATOM 0 HB ILE A 74 1.138 0.886 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.640 0.436 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.740 1.113 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.186 -1.291 5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.075 -0.097 5.672 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.728 -0.505 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.299 -1.253 3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.775 -1.056 5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.659 -1.744 4.177 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.291 2.109 4.540 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.598 2.374 5.118 1.00 0.00 C ATOM 1209 C VAL A 75 -4.369 1.059 5.249 1.00 0.00 C ATOM 1210 O VAL A 75 -4.233 0.169 4.411 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.337 3.420 4.281 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.796 3.547 4.726 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.626 4.773 4.341 1.00 0.00 C ATOM 0 H VAL A 75 -2.313 1.683 3.613 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.496 2.792 6.120 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.331 3.084 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.299 4.297 4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.298 2.587 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.832 3.848 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.172 5.498 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.586 5.118 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.612 4.669 3.954 1.00 0.00 H new ATOM 1223 N SER A 76 -5.162 0.979 6.307 1.00 0.00 N ATOM 1224 CA SER A 76 -5.956 -0.212 6.559 1.00 0.00 C ATOM 1225 C SER A 76 -7.446 0.118 6.448 1.00 0.00 C ATOM 1226 O SER A 76 -7.913 1.095 7.032 1.00 0.00 O ATOM 1227 CB SER A 76 -5.644 -0.801 7.936 1.00 0.00 C ATOM 1228 OG SER A 76 -6.175 -0.003 8.991 1.00 0.00 O ATOM 0 H SER A 76 -5.272 1.719 7.000 1.00 0.00 H new ATOM 0 HA SER A 76 -5.699 -0.959 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.055 -1.808 8.001 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.564 -0.889 8.056 1.00 0.00 H new ATOM 0 HG SER A 76 -5.956 -0.413 9.854 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.149 -0.715 5.696 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.577 -0.523 5.501 1.00 0.00 C ATOM 1236 C GLU A 77 -10.245 -0.135 6.822 1.00 0.00 C ATOM 1237 O GLU A 77 -11.009 0.827 6.875 1.00 0.00 O ATOM 1238 CB GLU A 77 -10.222 -1.777 4.908 1.00 0.00 C ATOM 1239 CG GLU A 77 -10.507 -1.593 3.416 1.00 0.00 C ATOM 1240 CD GLU A 77 -11.327 -2.762 2.866 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -12.461 -2.942 3.360 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -10.801 -3.450 1.964 1.00 0.00 O ATOM 0 H GLU A 77 -7.757 -1.524 5.214 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.721 0.291 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.563 -2.633 5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.150 -1.997 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.047 -0.659 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.567 -1.515 2.870 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.933 -0.904 7.855 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.494 -0.653 9.171 1.00 0.00 C ATOM 1251 C ARG A 78 -10.284 0.811 9.567 1.00 0.00 C ATOM 1252 O ARG A 78 -11.239 1.509 9.903 1.00 0.00 O ATOM 1253 CB ARG A 78 -9.851 -1.556 10.225 1.00 0.00 C ATOM 1254 CG ARG A 78 -10.905 -2.119 11.181 1.00 0.00 C ATOM 1255 CD ARG A 78 -10.335 -3.276 12.005 1.00 0.00 C ATOM 1256 NE ARG A 78 -8.948 -2.968 12.418 1.00 0.00 N ATOM 1257 CZ ARG A 78 -8.627 -2.325 13.549 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -9.591 -1.918 14.386 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -7.341 -2.089 13.844 1.00 0.00 N ATOM 0 H ARG A 78 -9.299 -1.701 7.807 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.561 -0.871 9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.325 -2.375 9.735 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.108 -0.991 10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.255 -1.331 11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.769 -2.463 10.613 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.956 -3.447 12.885 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.353 -4.195 11.418 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.189 -3.263 11.804 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.570 -2.098 14.162 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.346 -1.429 15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.607 -2.399 13.208 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.097 -1.600 14.705 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.029 1.231 9.513 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.682 2.598 9.862 1.00 0.00 C ATOM 1275 C GLY A 79 -9.337 3.592 8.901 1.00 0.00 C ATOM 1276 O GLY A 79 -9.612 4.731 9.273 1.00 0.00 O ATOM 0 H GLY A 79 -8.240 0.649 9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.001 2.809 10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.599 2.720 9.835 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.567 3.124 7.683 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.185 3.958 6.666 1.00 0.00 C ATOM 1282 C LEU A 80 -11.593 4.348 7.118 1.00 0.00 C ATOM 1283 O LEU A 80 -12.000 4.032 8.235 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.147 3.259 5.305 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.178 3.845 4.277 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.292 3.115 2.937 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.383 5.354 4.127 1.00 0.00 C ATOM 0 H LEU A 80 -9.337 2.178 7.378 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.623 4.884 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.888 2.212 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.151 3.278 4.881 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.162 3.693 4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.592 3.551 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.057 2.060 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.308 3.213 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.681 5.745 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.403 5.552 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.211 5.842 5.086 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.299 5.029 6.227 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.653 5.466 6.521 1.00 0.00 C ATOM 1301 C ALA A 81 -14.626 4.777 5.561 1.00 0.00 C ATOM 1302 O ALA A 81 -14.205 4.141 4.596 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.729 6.991 6.433 1.00 0.00 C ATOM 0 H ALA A 81 -11.959 5.289 5.301 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.935 5.184 7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.745 7.318 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.041 7.432 7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.455 7.312 5.428 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.942 4.933 5.866 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.978 4.334 5.042 1.00 0.00 C ATOM 1311 C PRO A 82 -17.154 5.109 3.734 1.00 0.00 C ATOM 1312 O PRO A 82 -17.252 4.512 2.663 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.225 4.342 5.910 1.00 0.00 C ATOM 1314 CG PRO A 82 -17.963 5.360 7.008 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.477 5.680 7.001 1.00 0.00 C ATOM 0 HA PRO A 82 -16.733 3.319 4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.105 4.614 5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.414 3.354 6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.549 6.263 6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.263 4.962 7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.303 6.750 6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.002 5.376 7.934 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.189 6.427 3.865 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.352 7.290 2.707 1.00 0.00 C ATOM 1325 C ARG A 83 -16.026 7.424 1.955 1.00 0.00 C ATOM 1326 O ARG A 83 -16.015 7.692 0.754 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.839 8.680 3.121 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.762 9.425 3.912 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.336 10.682 4.570 1.00 0.00 C ATOM 1330 NE ARG A 83 -16.322 11.759 4.575 1.00 0.00 N ATOM 1331 CZ ARG A 83 -16.505 12.962 5.137 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -17.665 13.248 5.743 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -15.529 13.878 5.093 1.00 0.00 N ATOM 0 H ARG A 83 -17.107 6.918 4.755 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.099 6.835 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.107 9.254 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.741 8.588 3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.347 8.768 4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.943 9.700 3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.225 11.011 4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.646 10.459 5.591 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.427 11.574 4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.408 12.550 5.777 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.805 14.163 6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.646 13.660 4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.669 14.793 5.521 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.942 7.232 2.691 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.615 7.328 2.109 1.00 0.00 C ATOM 1349 C LEU A 84 -13.256 5.997 1.446 1.00 0.00 C ATOM 1350 O LEU A 84 -12.767 5.973 0.317 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.600 7.785 3.159 1.00 0.00 C ATOM 1352 CG LEU A 84 -12.644 9.269 3.532 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -11.447 9.649 4.406 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -12.743 10.146 2.283 1.00 0.00 C ATOM 0 H LEU A 84 -14.956 7.010 3.686 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.596 8.089 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.754 7.198 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.600 7.552 2.795 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.543 9.447 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.502 10.708 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.463 9.058 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.523 9.452 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.773 11.195 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.876 9.972 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -13.651 9.897 1.735 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.511 4.921 2.176 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.221 3.589 1.672 1.00 0.00 C ATOM 1368 C ARG A 85 -13.863 3.390 0.298 1.00 0.00 C ATOM 1369 O ARG A 85 -13.194 2.979 -0.650 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.739 2.514 2.630 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.646 1.124 1.996 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.277 0.065 2.902 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.618 -1.139 2.111 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.559 -2.026 2.462 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.258 -1.850 3.592 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -15.801 -3.089 1.683 1.00 0.00 N ATOM 0 H ARG A 85 -13.915 4.944 3.112 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.138 3.494 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.161 2.536 3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.774 2.728 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.149 1.127 1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.601 0.874 1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.586 -0.199 3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.174 0.466 3.374 1.00 0.00 H new ATOM 0 HE ARG A 85 -14.105 -1.304 1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.074 -1.041 4.185 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.974 -2.525 3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -15.269 -3.223 0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.517 -3.764 1.950 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.152 3.690 0.232 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.891 3.548 -1.011 1.00 0.00 C ATOM 1392 C GLU A 86 -15.209 4.342 -2.127 1.00 0.00 C ATOM 1393 O GLU A 86 -15.106 3.868 -3.257 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.346 3.987 -0.836 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.247 3.329 -1.883 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.568 4.088 -2.025 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.512 5.237 -2.514 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.603 3.501 -1.642 1.00 0.00 O ATOM 0 H GLU A 86 -15.704 4.031 1.019 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.895 2.495 -1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.691 3.723 0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.415 5.071 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.734 3.302 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.446 2.296 -1.599 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.762 5.538 -1.771 1.00 0.00 N ATOM 1406 CA GLN A 87 -14.093 6.402 -2.728 1.00 0.00 C ATOM 1407 C GLN A 87 -12.699 5.859 -3.050 1.00 0.00 C ATOM 1408 O GLN A 87 -12.247 5.938 -4.191 1.00 0.00 O ATOM 1409 CB GLN A 87 -14.015 7.839 -2.208 1.00 0.00 C ATOM 1410 CG GLN A 87 -15.228 8.653 -2.663 1.00 0.00 C ATOM 1411 CD GLN A 87 -14.792 9.916 -3.409 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -13.641 10.319 -3.380 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -15.774 10.515 -4.077 1.00 0.00 N ATOM 0 H GLN A 87 -14.850 5.928 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.678 6.414 -3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.964 7.833 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.100 8.311 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.858 8.043 -3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.832 8.927 -1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.716 10.124 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.585 11.366 -4.607 1.00 0.00 H new ATOM 1422 N VAL A 88 -12.057 5.319 -2.024 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.725 4.763 -2.184 1.00 0.00 C ATOM 1424 C VAL A 88 -10.768 3.635 -3.216 1.00 0.00 C ATOM 1425 O VAL A 88 -9.884 3.532 -4.066 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.180 4.312 -0.827 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.943 3.427 -1.000 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -9.874 5.514 0.068 1.00 0.00 C ATOM 0 H VAL A 88 -12.435 5.255 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.038 5.521 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.951 3.718 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.575 3.120 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.206 2.544 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.165 3.986 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.488 5.165 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.129 6.147 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.786 6.088 0.231 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.804 2.817 -3.109 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.974 1.700 -4.023 1.00 0.00 C ATOM 1440 C LEU A 89 -11.987 2.221 -5.461 1.00 0.00 C ATOM 1441 O LEU A 89 -11.454 1.577 -6.363 1.00 0.00 O ATOM 1442 CB LEU A 89 -13.217 0.888 -3.651 1.00 0.00 C ATOM 1443 CG LEU A 89 -13.255 0.335 -2.225 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.696 0.145 -1.749 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -12.441 -0.956 -2.116 1.00 0.00 C ATOM 0 H LEU A 89 -12.535 2.905 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.135 1.010 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.095 1.517 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.302 0.053 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.791 1.066 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.695 -0.249 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.214 1.104 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.208 -0.555 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.484 -1.328 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.854 -1.705 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.404 -0.756 -2.386 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.603 3.382 -5.631 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.693 3.996 -6.944 1.00 0.00 C ATOM 1459 C ARG A 90 -11.293 4.254 -7.507 1.00 0.00 C ATOM 1460 O ARG A 90 -11.118 4.362 -8.719 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.461 5.318 -6.883 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.772 5.228 -7.667 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.978 5.383 -6.739 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.905 6.401 -7.281 1.00 0.00 N ATOM 1465 CZ ARG A 90 -18.000 6.836 -6.642 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -18.312 6.343 -5.436 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -18.784 7.762 -7.211 1.00 0.00 N ATOM 0 H ARG A 90 -13.045 3.913 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.230 3.306 -7.596 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.671 5.573 -5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.845 6.120 -7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.796 6.003 -8.433 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.826 4.269 -8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.493 4.428 -6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.646 5.675 -5.743 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.698 6.796 -8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.716 5.637 -5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -19.145 6.674 -4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.547 8.136 -8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.617 8.093 -6.725 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.333 4.344 -6.598 1.00 0.00 N ATOM 1482 CA GLU A 91 -8.954 4.586 -6.989 1.00 0.00 C ATOM 1483 C GLU A 91 -8.131 3.303 -6.856 1.00 0.00 C ATOM 1484 O GLU A 91 -7.341 2.974 -7.739 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.342 5.719 -6.162 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.225 6.967 -6.202 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.860 7.860 -7.389 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -9.083 7.405 -8.532 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -8.365 8.978 -7.127 1.00 0.00 O ATOM 0 H GLU A 91 -10.482 4.254 -5.593 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.941 4.895 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.215 5.393 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.350 5.959 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.272 6.673 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.112 7.526 -5.273 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.345 2.614 -5.745 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.633 1.374 -5.485 1.00 0.00 C ATOM 1498 C ALA A 92 -7.531 0.568 -6.781 1.00 0.00 C ATOM 1499 O ALA A 92 -8.545 0.148 -7.336 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.343 0.601 -4.372 1.00 0.00 C ATOM 0 H ALA A 92 -9.001 2.891 -5.015 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.618 1.579 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.809 -0.329 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.363 1.205 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.364 0.375 -4.680 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.298 0.377 -7.226 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.051 -0.372 -8.447 1.00 0.00 C ATOM 1508 C ILE A 93 -5.205 -1.604 -8.122 1.00 0.00 C ATOM 1509 O ILE A 93 -4.338 -1.554 -7.251 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.434 0.534 -9.515 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.027 0.979 -9.110 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.346 1.724 -9.819 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -2.967 0.043 -9.694 1.00 0.00 C ATOM 0 H ILE A 93 -5.459 0.728 -6.763 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.989 -0.732 -8.870 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.338 -0.041 -10.436 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.850 1.997 -9.457 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.945 0.994 -8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.884 2.351 -10.581 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.308 1.362 -10.182 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.497 2.308 -8.911 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.976 0.382 -9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.133 -0.969 -9.326 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.036 0.049 -10.782 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.493 -2.710 -8.859 1.00 0.00 N ATOM 1526 CA PRO A 94 -4.768 -3.953 -8.659 1.00 0.00 C ATOM 1527 C PRO A 94 -3.365 -3.874 -9.263 1.00 0.00 C ATOM 1528 O PRO A 94 -3.179 -3.303 -10.336 1.00 0.00 O ATOM 1529 CB PRO A 94 -5.634 -5.022 -9.305 1.00 0.00 C ATOM 1530 CG PRO A 94 -6.574 -4.285 -10.245 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.513 -2.806 -9.900 1.00 0.00 C ATOM 0 HA PRO A 94 -4.601 -4.177 -7.605 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.024 -5.743 -9.849 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.192 -5.580 -8.553 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.281 -4.447 -11.282 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.592 -4.660 -10.139 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.248 -2.207 -10.771 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.477 -2.442 -9.545 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.413 -4.455 -8.548 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.033 -4.458 -9.000 1.00 0.00 C ATOM 1541 C LEU A 95 -0.594 -5.897 -9.276 1.00 0.00 C ATOM 1542 O LEU A 95 -1.115 -6.835 -8.676 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.139 -3.724 -7.998 1.00 0.00 C ATOM 1544 CG LEU A 95 1.292 -4.248 -7.867 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.309 -5.654 -7.263 1.00 0.00 C ATOM 1546 CD2 LEU A 95 2.022 -4.192 -9.210 1.00 0.00 C ATOM 0 H LEU A 95 -2.571 -4.927 -7.658 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.939 -3.910 -9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.095 -2.673 -8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.613 -3.769 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 95 1.832 -3.596 -7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.339 -6.002 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.854 -5.630 -6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.746 -6.332 -7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.037 -4.570 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.491 -4.805 -9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.059 -3.161 -9.561 1.00 0.00 H new