USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 hydrogens (29 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 -159:sc= -0.23 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.13 (180deg=0.997) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -179:sc= -0.0553 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= 0.231 USER MOD Single : A 21 THR OG1 : rot -81:sc= 1.23 USER MOD Single : A 24 THR OG1 : rot 57:sc= 0.0351 USER MOD Single : A 27 SER OG : rot -101:sc= 1.27 USER MOD Single : A 40 TYR OH : rot -149:sc= 0.132 USER MOD Single : A 46 MET CE :methyl -131:sc= -3.59! (180deg=-5.55!) USER MOD Single : A 48 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 54 SER OG : rot 81:sc= 1.12 USER MOD Single : A 56 TYR OH : rot 16:sc= 1.16 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -53:sc= -1.08! USER MOD Single : A 79 ASN :FLIP amide:sc= -1.87! C(o=-3.6!,f=-1.9!) USER MOD Single : A 87 SXD O33 : rot 8:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.452 6.464 1.446 1.00 3.46 N ATOM 2 CA MET A 1 -19.067 7.121 0.204 1.00 2.87 C ATOM 3 C MET A 1 -17.758 6.539 -0.261 1.00 2.37 C ATOM 4 O MET A 1 -16.956 6.070 0.560 1.00 2.84 O ATOM 5 CB MET A 1 -18.873 8.621 0.430 1.00 3.22 C ATOM 6 CG MET A 1 -20.068 9.339 1.028 1.00 3.84 C ATOM 7 SD MET A 1 -19.771 11.105 1.230 1.00 4.72 S ATOM 8 CE MET A 1 -18.307 11.085 2.277 1.00 5.39 C ATOM 0 H1 MET A 1 -20.472 6.589 1.603 1.00 3.46 H new ATOM 0 H2 MET A 1 -19.233 5.449 1.384 1.00 3.46 H new ATOM 0 H3 MET A 1 -18.926 6.884 2.239 1.00 3.46 H new ATOM 0 HA MET A 1 -19.851 6.967 -0.537 1.00 2.87 H new ATOM 0 HB2 MET A 1 -18.015 8.766 1.086 1.00 3.22 H new ATOM 0 HB3 MET A 1 -18.627 9.088 -0.524 1.00 3.22 H new ATOM 0 HG2 MET A 1 -20.937 9.190 0.387 1.00 3.84 H new ATOM 0 HG3 MET A 1 -20.306 8.899 1.997 1.00 3.84 H new ATOM 0 HE1 MET A 1 -18.214 12.042 2.791 1.00 5.39 H new ATOM 0 HE2 MET A 1 -18.397 10.285 3.012 1.00 5.39 H new ATOM 0 HE3 MET A 1 -17.423 10.916 1.663 1.00 5.39 H new ATOM 20 N ALA A 2 -17.525 6.553 -1.547 1.00 2.00 N ATOM 21 CA ALA A 2 -16.280 6.077 -2.099 1.00 1.85 C ATOM 22 C ALA A 2 -15.206 7.137 -1.923 1.00 1.39 C ATOM 23 O ALA A 2 -15.085 8.066 -2.726 1.00 1.40 O ATOM 24 CB ALA A 2 -16.429 5.705 -3.573 1.00 2.44 C ATOM 0 H ALA A 2 -18.190 6.893 -2.242 1.00 2.00 H new ATOM 0 HA ALA A 2 -15.988 5.174 -1.562 1.00 1.85 H new ATOM 0 HB1 ALA A 2 -15.473 5.350 -3.957 1.00 2.44 H new ATOM 0 HB2 ALA A 2 -17.176 4.918 -3.676 1.00 2.44 H new ATOM 0 HB3 ALA A 2 -16.745 6.581 -4.139 1.00 2.44 H new ATOM 30 N THR A 3 -14.510 7.059 -0.829 1.00 1.35 N ATOM 31 CA THR A 3 -13.430 7.953 -0.566 1.00 1.15 C ATOM 32 C THR A 3 -12.141 7.247 -0.967 1.00 1.02 C ATOM 33 O THR A 3 -11.703 6.308 -0.328 1.00 1.25 O ATOM 34 CB THR A 3 -13.427 8.404 0.947 1.00 1.52 C ATOM 35 OG1 THR A 3 -12.287 9.230 1.246 1.00 2.18 O ATOM 36 CG2 THR A 3 -13.495 7.224 1.927 1.00 1.91 C ATOM 0 H THR A 3 -14.678 6.372 -0.094 1.00 1.35 H new ATOM 0 HA THR A 3 -13.534 8.869 -1.148 1.00 1.15 H new ATOM 0 HB THR A 3 -14.336 8.989 1.084 1.00 1.52 H new ATOM 0 HG1 THR A 3 -12.313 9.495 2.189 1.00 2.18 H new ATOM 0 HG21 THR A 3 -13.490 7.600 2.950 1.00 1.91 H new ATOM 0 HG22 THR A 3 -14.411 6.659 1.753 1.00 1.91 H new ATOM 0 HG23 THR A 3 -12.633 6.574 1.775 1.00 1.91 H new ATOM 44 N LEU A 4 -11.586 7.668 -2.063 1.00 0.80 N ATOM 45 CA LEU A 4 -10.402 7.063 -2.602 1.00 0.74 C ATOM 46 C LEU A 4 -9.188 7.639 -1.898 1.00 0.68 C ATOM 47 O LEU A 4 -9.217 8.803 -1.456 1.00 0.89 O ATOM 48 CB LEU A 4 -10.341 7.316 -4.113 1.00 0.74 C ATOM 49 CG LEU A 4 -11.582 6.867 -4.906 1.00 0.89 C ATOM 50 CD1 LEU A 4 -11.425 7.167 -6.383 1.00 1.00 C ATOM 51 CD2 LEU A 4 -11.867 5.387 -4.689 1.00 1.10 C ATOM 0 H LEU A 4 -11.944 8.448 -2.614 1.00 0.80 H new ATOM 0 HA LEU A 4 -10.419 5.985 -2.439 1.00 0.74 H new ATOM 0 HB2 LEU A 4 -10.190 8.382 -4.280 1.00 0.74 H new ATOM 0 HB3 LEU A 4 -9.468 6.803 -4.516 1.00 0.74 H new ATOM 0 HG LEU A 4 -12.434 7.436 -4.532 1.00 0.89 H new ATOM 0 HD11 LEU A 4 -12.316 6.839 -6.918 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -11.291 8.239 -6.524 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -10.554 6.639 -6.771 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -12.749 5.099 -5.261 1.00 1.10 H new ATOM 0 HD22 LEU A 4 -11.011 4.799 -5.020 1.00 1.10 H new ATOM 0 HD23 LEU A 4 -12.046 5.202 -3.630 1.00 1.10 H new ATOM 63 N LEU A 5 -8.150 6.839 -1.759 1.00 0.59 N ATOM 64 CA LEU A 5 -6.948 7.254 -1.057 1.00 0.61 C ATOM 65 C LEU A 5 -6.138 8.215 -1.865 1.00 0.53 C ATOM 66 O LEU A 5 -6.060 8.112 -3.095 1.00 0.53 O ATOM 67 CB LEU A 5 -6.060 6.069 -0.698 1.00 0.76 C ATOM 68 CG LEU A 5 -6.580 5.107 0.336 1.00 0.75 C ATOM 69 CD1 LEU A 5 -5.570 4.008 0.551 1.00 1.16 C ATOM 70 CD2 LEU A 5 -6.853 5.832 1.634 1.00 1.48 C ATOM 0 H LEU A 5 -8.114 5.888 -2.126 1.00 0.59 H new ATOM 0 HA LEU A 5 -7.292 7.740 -0.144 1.00 0.61 H new ATOM 0 HB2 LEU A 5 -5.860 5.508 -1.611 1.00 0.76 H new ATOM 0 HB3 LEU A 5 -5.104 6.458 -0.347 1.00 0.76 H new ATOM 0 HG LEU A 5 -7.515 4.670 -0.016 1.00 0.75 H new ATOM 0 HD11 LEU A 5 -5.945 3.310 1.300 1.00 1.16 H new ATOM 0 HD12 LEU A 5 -5.403 3.478 -0.387 1.00 1.16 H new ATOM 0 HD13 LEU A 5 -4.630 4.440 0.896 1.00 1.16 H new ATOM 0 HD21 LEU A 5 -7.229 5.125 2.374 1.00 1.48 H new ATOM 0 HD22 LEU A 5 -5.931 6.284 1.999 1.00 1.48 H new ATOM 0 HD23 LEU A 5 -7.597 6.611 1.466 1.00 1.48 H new ATOM 82 N THR A 6 -5.542 9.129 -1.187 1.00 0.60 N ATOM 83 CA THR A 6 -4.678 10.063 -1.791 1.00 0.62 C ATOM 84 C THR A 6 -3.223 9.585 -1.674 1.00 0.56 C ATOM 85 O THR A 6 -2.925 8.676 -0.875 1.00 0.55 O ATOM 86 CB THR A 6 -4.878 11.456 -1.174 1.00 0.80 C ATOM 87 OG1 THR A 6 -4.840 11.355 0.263 1.00 0.88 O ATOM 88 CG2 THR A 6 -6.213 12.057 -1.602 1.00 0.93 C ATOM 0 H THR A 6 -5.647 9.246 -0.179 1.00 0.60 H new ATOM 0 HA THR A 6 -4.916 10.142 -2.852 1.00 0.62 H new ATOM 0 HB THR A 6 -4.076 12.106 -1.525 1.00 0.80 H new ATOM 0 HG1 THR A 6 -4.982 12.241 0.657 1.00 0.88 H new ATOM 0 HG21 THR A 6 -6.329 13.043 -1.151 1.00 0.93 H new ATOM 0 HG22 THR A 6 -6.239 12.149 -2.688 1.00 0.93 H new ATOM 0 HG23 THR A 6 -7.026 11.409 -1.273 1.00 0.93 H new ATOM 96 N THR A 7 -2.327 10.192 -2.428 1.00 0.59 N ATOM 97 CA THR A 7 -0.935 9.810 -2.445 1.00 0.58 C ATOM 98 C THR A 7 -0.265 10.101 -1.080 1.00 0.47 C ATOM 99 O THR A 7 0.645 9.384 -0.645 1.00 0.45 O ATOM 100 CB THR A 7 -0.223 10.565 -3.584 1.00 0.70 C ATOM 101 OG1 THR A 7 -1.015 10.426 -4.786 1.00 1.31 O ATOM 102 CG2 THR A 7 1.149 9.978 -3.842 1.00 1.10 C ATOM 0 H THR A 7 -2.550 10.970 -3.049 1.00 0.59 H new ATOM 0 HA THR A 7 -0.856 8.737 -2.621 1.00 0.58 H new ATOM 0 HB THR A 7 -0.111 11.612 -3.302 1.00 0.70 H new ATOM 0 HG1 THR A 7 -0.578 10.902 -5.523 1.00 1.31 H new ATOM 0 HG21 THR A 7 1.633 10.526 -4.650 1.00 1.10 H new ATOM 0 HG22 THR A 7 1.753 10.055 -2.938 1.00 1.10 H new ATOM 0 HG23 THR A 7 1.049 8.930 -4.124 1.00 1.10 H new ATOM 110 N ASP A 8 -0.772 11.117 -0.395 1.00 0.52 N ATOM 111 CA ASP A 8 -0.282 11.505 0.919 1.00 0.54 C ATOM 112 C ASP A 8 -0.535 10.424 1.945 1.00 0.48 C ATOM 113 O ASP A 8 0.333 10.132 2.757 1.00 0.52 O ATOM 114 CB ASP A 8 -0.867 12.861 1.392 1.00 0.71 C ATOM 115 CG ASP A 8 -2.387 12.925 1.383 1.00 1.19 C ATOM 116 OD1 ASP A 8 -2.996 13.297 0.369 1.00 1.79 O ATOM 117 OD2 ASP A 8 -3.003 12.610 2.423 1.00 1.67 O ATOM 0 H ASP A 8 -1.538 11.697 -0.737 1.00 0.52 H new ATOM 0 HA ASP A 8 0.796 11.636 0.820 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -0.513 13.063 2.403 1.00 0.71 H new ATOM 0 HB3 ASP A 8 -0.478 13.654 0.753 1.00 0.71 H new ATOM 122 N ASP A 9 -1.686 9.780 1.889 1.00 0.50 N ATOM 123 CA ASP A 9 -1.974 8.739 2.868 1.00 0.59 C ATOM 124 C ASP A 9 -1.320 7.445 2.449 1.00 0.52 C ATOM 125 O ASP A 9 -0.894 6.643 3.288 1.00 0.60 O ATOM 126 CB ASP A 9 -3.465 8.537 3.093 1.00 0.80 C ATOM 127 CG ASP A 9 -3.733 7.730 4.352 1.00 1.24 C ATOM 128 OD1 ASP A 9 -3.429 8.191 5.464 1.00 1.68 O ATOM 129 OD2 ASP A 9 -4.229 6.569 4.228 1.00 2.00 O ATOM 0 H ASP A 9 -2.419 9.949 1.200 1.00 0.50 H new ATOM 0 HA ASP A 9 -1.559 9.067 3.821 1.00 0.59 H new ATOM 0 HB2 ASP A 9 -3.957 9.507 3.169 1.00 0.80 H new ATOM 0 HB3 ASP A 9 -3.898 8.026 2.233 1.00 0.80 H new ATOM 134 N LEU A 10 -1.199 7.268 1.137 1.00 0.46 N ATOM 135 CA LEU A 10 -0.521 6.117 0.563 1.00 0.48 C ATOM 136 C LEU A 10 0.933 6.088 1.031 1.00 0.45 C ATOM 137 O LEU A 10 1.445 5.038 1.413 1.00 0.51 O ATOM 138 CB LEU A 10 -0.577 6.162 -0.970 1.00 0.52 C ATOM 139 CG LEU A 10 0.068 4.978 -1.697 1.00 0.65 C ATOM 140 CD1 LEU A 10 -0.684 3.688 -1.417 1.00 1.07 C ATOM 141 CD2 LEU A 10 0.160 5.246 -3.188 1.00 1.19 C ATOM 0 H LEU A 10 -1.569 7.919 0.445 1.00 0.46 H new ATOM 0 HA LEU A 10 -1.027 5.212 0.899 1.00 0.48 H new ATOM 0 HB2 LEU A 10 -1.622 6.225 -1.275 1.00 0.52 H new ATOM 0 HB3 LEU A 10 -0.091 7.078 -1.306 1.00 0.52 H new ATOM 0 HG LEU A 10 1.081 4.859 -1.314 1.00 0.65 H new ATOM 0 HD11 LEU A 10 -0.204 2.865 -1.946 1.00 1.07 H new ATOM 0 HD12 LEU A 10 -0.674 3.486 -0.346 1.00 1.07 H new ATOM 0 HD13 LEU A 10 -1.715 3.786 -1.758 1.00 1.07 H new ATOM 0 HD21 LEU A 10 0.621 4.392 -3.683 1.00 1.19 H new ATOM 0 HD22 LEU A 10 -0.840 5.403 -3.592 1.00 1.19 H new ATOM 0 HD23 LEU A 10 0.765 6.136 -3.361 1.00 1.19 H new ATOM 153 N ARG A 11 1.584 7.265 1.026 1.00 0.42 N ATOM 154 CA ARG A 11 2.961 7.383 1.503 1.00 0.47 C ATOM 155 C ARG A 11 3.049 6.911 2.936 1.00 0.47 C ATOM 156 O ARG A 11 3.903 6.095 3.272 1.00 0.53 O ATOM 157 CB ARG A 11 3.495 8.831 1.400 1.00 0.56 C ATOM 158 CG ARG A 11 4.942 8.970 1.892 1.00 0.83 C ATOM 159 CD ARG A 11 5.476 10.396 1.803 1.00 0.87 C ATOM 160 NE ARG A 11 4.744 11.335 2.650 1.00 0.97 N ATOM 161 CZ ARG A 11 5.205 12.504 3.107 1.00 1.40 C ATOM 162 NH1 ARG A 11 6.500 12.803 3.039 1.00 1.87 N ATOM 163 NH2 ARG A 11 4.369 13.340 3.702 1.00 1.87 N ATOM 0 H ARG A 11 1.176 8.140 0.697 1.00 0.42 H new ATOM 0 HA ARG A 11 3.582 6.757 0.863 1.00 0.47 H new ATOM 0 HB2 ARG A 11 3.436 9.162 0.363 1.00 0.56 H new ATOM 0 HB3 ARG A 11 2.853 9.492 1.983 1.00 0.56 H new ATOM 0 HG2 ARG A 11 5.001 8.632 2.926 1.00 0.83 H new ATOM 0 HG3 ARG A 11 5.583 8.312 1.305 1.00 0.83 H new ATOM 0 HD2 ARG A 11 6.528 10.402 2.088 1.00 0.87 H new ATOM 0 HD3 ARG A 11 5.424 10.733 0.768 1.00 0.87 H new ATOM 0 HE ARG A 11 3.795 11.075 2.917 1.00 0.97 H new ATOM 0 HH11 ARG A 11 7.157 12.136 2.634 1.00 1.87 H new ATOM 0 HH12 ARG A 11 6.836 13.699 3.392 1.00 1.87 H new ATOM 0 HH21 ARG A 11 3.386 13.089 3.807 1.00 1.87 H new ATOM 0 HH22 ARG A 11 4.708 14.235 4.055 1.00 1.87 H new ATOM 177 N ARG A 12 2.113 7.396 3.758 1.00 0.46 N ATOM 178 CA ARG A 12 2.054 7.044 5.188 1.00 0.52 C ATOM 179 C ARG A 12 2.055 5.539 5.376 1.00 0.55 C ATOM 180 O ARG A 12 2.854 5.020 6.127 1.00 0.65 O ATOM 181 CB ARG A 12 0.801 7.628 5.838 1.00 0.53 C ATOM 182 CG ARG A 12 0.726 9.125 5.743 1.00 1.03 C ATOM 183 CD ARG A 12 -0.606 9.654 6.197 1.00 1.16 C ATOM 184 NE ARG A 12 -0.727 11.086 5.948 1.00 1.72 N ATOM 185 CZ ARG A 12 -1.846 11.688 5.546 1.00 2.32 C ATOM 186 NH1 ARG A 12 -2.962 10.971 5.368 1.00 2.40 N ATOM 187 NH2 ARG A 12 -1.850 13.004 5.319 1.00 3.33 N ATOM 0 H ARG A 12 1.379 8.038 3.459 1.00 0.46 H new ATOM 0 HA ARG A 12 2.939 7.465 5.666 1.00 0.52 H new ATOM 0 HB2 ARG A 12 -0.081 7.196 5.364 1.00 0.53 H new ATOM 0 HB3 ARG A 12 0.775 7.336 6.888 1.00 0.53 H new ATOM 0 HG2 ARG A 12 1.517 9.566 6.350 1.00 1.03 H new ATOM 0 HG3 ARG A 12 0.906 9.432 4.713 1.00 1.03 H new ATOM 0 HD2 ARG A 12 -1.405 9.125 5.677 1.00 1.16 H new ATOM 0 HD3 ARG A 12 -0.733 9.457 7.262 1.00 1.16 H new ATOM 0 HE ARG A 12 0.100 11.665 6.091 1.00 1.72 H new ATOM 0 HH11 ARG A 12 -2.955 9.966 5.540 1.00 2.40 H new ATOM 0 HH12 ARG A 12 -3.819 11.430 5.060 1.00 2.40 H new ATOM 0 HH21 ARG A 12 -0.997 13.547 5.453 1.00 3.33 H new ATOM 0 HH22 ARG A 12 -2.706 13.466 5.011 1.00 3.33 H new ATOM 201 N ALA A 13 1.190 4.855 4.633 1.00 0.52 N ATOM 202 CA ALA A 13 1.037 3.403 4.725 1.00 0.58 C ATOM 203 C ALA A 13 2.364 2.671 4.517 1.00 0.59 C ATOM 204 O ALA A 13 2.766 1.852 5.355 1.00 0.67 O ATOM 205 CB ALA A 13 0.012 2.928 3.725 1.00 0.62 C ATOM 0 H ALA A 13 0.573 5.291 3.948 1.00 0.52 H new ATOM 0 HA ALA A 13 0.695 3.170 5.733 1.00 0.58 H new ATOM 0 HB1 ALA A 13 -0.096 1.846 3.800 1.00 0.62 H new ATOM 0 HB2 ALA A 13 -0.947 3.403 3.933 1.00 0.62 H new ATOM 0 HB3 ALA A 13 0.337 3.191 2.718 1.00 0.62 H new ATOM 211 N LEU A 14 3.043 2.975 3.420 1.00 0.56 N ATOM 212 CA LEU A 14 4.325 2.368 3.127 1.00 0.63 C ATOM 213 C LEU A 14 5.371 2.695 4.189 1.00 0.73 C ATOM 214 O LEU A 14 6.062 1.789 4.683 1.00 0.95 O ATOM 215 CB LEU A 14 4.836 2.743 1.725 1.00 0.64 C ATOM 216 CG LEU A 14 4.206 2.005 0.530 1.00 0.72 C ATOM 217 CD1 LEU A 14 2.747 2.365 0.302 1.00 1.05 C ATOM 218 CD2 LEU A 14 5.030 2.210 -0.726 1.00 1.24 C ATOM 0 H LEU A 14 2.722 3.642 2.718 1.00 0.56 H new ATOM 0 HA LEU A 14 4.162 1.290 3.143 1.00 0.63 H new ATOM 0 HB2 LEU A 14 4.680 3.812 1.583 1.00 0.64 H new ATOM 0 HB3 LEU A 14 5.912 2.571 1.700 1.00 0.64 H new ATOM 0 HG LEU A 14 4.215 0.945 0.782 1.00 0.72 H new ATOM 0 HD11 LEU A 14 2.365 1.810 -0.555 1.00 1.05 H new ATOM 0 HD12 LEU A 14 2.166 2.109 1.188 1.00 1.05 H new ATOM 0 HD13 LEU A 14 2.662 3.434 0.109 1.00 1.05 H new ATOM 0 HD21 LEU A 14 4.565 1.679 -1.557 1.00 1.24 H new ATOM 0 HD22 LEU A 14 5.081 3.274 -0.958 1.00 1.24 H new ATOM 0 HD23 LEU A 14 6.037 1.825 -0.567 1.00 1.24 H new ATOM 230 N VAL A 15 5.459 3.965 4.565 1.00 0.69 N ATOM 231 CA VAL A 15 6.421 4.422 5.574 1.00 0.80 C ATOM 232 C VAL A 15 6.217 3.670 6.899 1.00 0.85 C ATOM 233 O VAL A 15 7.183 3.229 7.521 1.00 1.00 O ATOM 234 CB VAL A 15 6.333 5.963 5.787 1.00 0.85 C ATOM 235 CG1 VAL A 15 7.277 6.426 6.883 1.00 0.98 C ATOM 236 CG2 VAL A 15 6.675 6.683 4.499 1.00 0.93 C ATOM 0 H VAL A 15 4.872 4.707 4.185 1.00 0.69 H new ATOM 0 HA VAL A 15 7.422 4.199 5.206 1.00 0.80 H new ATOM 0 HB VAL A 15 5.312 6.199 6.087 1.00 0.85 H new ATOM 0 HG11 VAL A 15 7.190 7.506 7.006 1.00 0.98 H new ATOM 0 HG12 VAL A 15 7.017 5.932 7.819 1.00 0.98 H new ATOM 0 HG13 VAL A 15 8.302 6.173 6.611 1.00 0.98 H new ATOM 0 HG21 VAL A 15 6.611 7.760 4.656 1.00 0.93 H new ATOM 0 HG22 VAL A 15 7.688 6.420 4.193 1.00 0.93 H new ATOM 0 HG23 VAL A 15 5.973 6.388 3.720 1.00 0.93 H new ATOM 246 N GLU A 16 4.961 3.468 7.274 1.00 0.83 N ATOM 247 CA GLU A 16 4.593 2.724 8.486 1.00 0.98 C ATOM 248 C GLU A 16 5.155 1.295 8.489 1.00 1.01 C ATOM 249 O GLU A 16 5.422 0.731 9.549 1.00 1.21 O ATOM 250 CB GLU A 16 3.074 2.649 8.630 1.00 1.12 C ATOM 251 CG GLU A 16 2.391 3.972 8.893 1.00 1.25 C ATOM 252 CD GLU A 16 2.767 4.553 10.212 1.00 1.62 C ATOM 253 OE1 GLU A 16 2.238 4.115 11.245 1.00 1.93 O ATOM 254 OE2 GLU A 16 3.600 5.477 10.232 1.00 2.18 O ATOM 0 H GLU A 16 4.159 3.815 6.747 1.00 0.83 H new ATOM 0 HA GLU A 16 5.028 3.268 9.324 1.00 0.98 H new ATOM 0 HB2 GLU A 16 2.659 2.218 7.719 1.00 1.12 H new ATOM 0 HB3 GLU A 16 2.835 1.965 9.445 1.00 1.12 H new ATOM 0 HG2 GLU A 16 2.651 4.675 8.102 1.00 1.25 H new ATOM 0 HG3 GLU A 16 1.310 3.834 8.855 1.00 1.25 H new ATOM 261 N SER A 17 5.340 0.719 7.320 1.00 0.92 N ATOM 262 CA SER A 17 5.806 -0.648 7.224 1.00 1.03 C ATOM 263 C SER A 17 7.332 -0.701 6.961 1.00 1.14 C ATOM 264 O SER A 17 7.943 -1.775 6.935 1.00 1.40 O ATOM 265 CB SER A 17 5.007 -1.389 6.126 1.00 0.97 C ATOM 266 OG SER A 17 5.244 -2.790 6.143 1.00 1.65 O ATOM 0 H SER A 17 5.175 1.176 6.423 1.00 0.92 H new ATOM 0 HA SER A 17 5.635 -1.152 8.175 1.00 1.03 H new ATOM 0 HB2 SER A 17 3.942 -1.201 6.264 1.00 0.97 H new ATOM 0 HB3 SER A 17 5.278 -0.988 5.149 1.00 0.97 H new ATOM 0 HG SER A 17 4.610 -3.236 5.544 1.00 1.65 H new ATOM 272 N ALA A 18 7.948 0.450 6.806 1.00 1.07 N ATOM 273 CA ALA A 18 9.370 0.499 6.522 1.00 1.24 C ATOM 274 C ALA A 18 10.118 1.195 7.644 1.00 1.33 C ATOM 275 O ALA A 18 10.916 0.579 8.361 1.00 1.59 O ATOM 276 CB ALA A 18 9.619 1.196 5.196 1.00 1.29 C ATOM 0 H ALA A 18 7.493 1.360 6.871 1.00 1.07 H new ATOM 0 HA ALA A 18 9.744 -0.522 6.450 1.00 1.24 H new ATOM 0 HB1 ALA A 18 10.690 1.225 4.996 1.00 1.29 H new ATOM 0 HB2 ALA A 18 9.116 0.650 4.398 1.00 1.29 H new ATOM 0 HB3 ALA A 18 9.230 2.213 5.241 1.00 1.29 H new ATOM 282 N GLY A 19 9.813 2.446 7.830 1.00 1.34 N ATOM 283 CA GLY A 19 10.445 3.259 8.822 1.00 1.54 C ATOM 284 C GLY A 19 10.351 4.693 8.405 1.00 1.61 C ATOM 285 O GLY A 19 10.150 4.962 7.221 1.00 2.24 O ATOM 0 H GLY A 19 9.104 2.937 7.285 1.00 1.34 H new ATOM 0 HA2 GLY A 19 9.964 3.115 9.789 1.00 1.54 H new ATOM 0 HA3 GLY A 19 11.489 2.968 8.939 1.00 1.54 H new ATOM 289 N GLU A 20 10.483 5.607 9.341 1.00 1.53 N ATOM 290 CA GLU A 20 10.402 7.034 9.047 1.00 1.66 C ATOM 291 C GLU A 20 11.621 7.479 8.264 1.00 1.69 C ATOM 292 O GLU A 20 12.643 7.850 8.860 1.00 2.04 O ATOM 293 CB GLU A 20 10.286 7.859 10.329 1.00 2.11 C ATOM 294 CG GLU A 20 9.027 7.617 11.128 1.00 2.61 C ATOM 295 CD GLU A 20 7.790 7.969 10.359 1.00 3.24 C ATOM 296 OE1 GLU A 20 7.582 9.167 10.056 1.00 3.36 O ATOM 297 OE2 GLU A 20 6.993 7.077 10.069 1.00 3.97 O ATOM 0 H GLU A 20 10.649 5.391 10.324 1.00 1.53 H new ATOM 0 HA GLU A 20 9.506 7.199 8.449 1.00 1.66 H new ATOM 0 HB2 GLU A 20 11.147 7.644 10.961 1.00 2.11 H new ATOM 0 HB3 GLU A 20 10.337 8.916 10.069 1.00 2.11 H new ATOM 0 HG2 GLU A 20 8.983 6.569 11.424 1.00 2.61 H new ATOM 0 HG3 GLU A 20 9.062 8.206 12.045 1.00 2.61 H new ATOM 304 N THR A 21 11.529 7.373 6.941 1.00 1.88 N ATOM 305 CA THR A 21 12.606 7.717 6.047 1.00 2.20 C ATOM 306 C THR A 21 13.838 6.839 6.388 1.00 2.10 C ATOM 307 O THR A 21 14.853 7.302 6.897 1.00 2.75 O ATOM 308 CB THR A 21 12.923 9.243 6.132 1.00 2.92 C ATOM 309 OG1 THR A 21 11.699 9.982 5.915 1.00 3.25 O ATOM 310 CG2 THR A 21 13.933 9.669 5.081 1.00 3.47 C ATOM 0 H THR A 21 10.691 7.041 6.464 1.00 1.88 H new ATOM 0 HA THR A 21 12.317 7.518 5.015 1.00 2.20 H new ATOM 0 HB THR A 21 13.345 9.447 7.116 1.00 2.92 H new ATOM 0 HG1 THR A 21 11.520 10.044 4.953 1.00 3.25 H new ATOM 0 HG21 THR A 21 14.126 10.738 5.174 1.00 3.47 H new ATOM 0 HG22 THR A 21 14.863 9.118 5.225 1.00 3.47 H new ATOM 0 HG23 THR A 21 13.536 9.457 4.088 1.00 3.47 H new ATOM 318 N ASP A 22 13.678 5.543 6.194 1.00 1.66 N ATOM 319 CA ASP A 22 14.730 4.540 6.501 1.00 1.92 C ATOM 320 C ASP A 22 15.455 4.196 5.198 1.00 2.00 C ATOM 321 O ASP A 22 15.998 3.109 5.004 1.00 2.52 O ATOM 322 CB ASP A 22 14.042 3.289 7.119 1.00 2.44 C ATOM 323 CG ASP A 22 14.997 2.179 7.551 1.00 3.14 C ATOM 324 OD1 ASP A 22 15.871 2.431 8.402 1.00 3.81 O ATOM 325 OD2 ASP A 22 14.844 1.024 7.080 1.00 3.47 O ATOM 0 H ASP A 22 12.821 5.136 5.819 1.00 1.66 H new ATOM 0 HA ASP A 22 15.460 4.922 7.214 1.00 1.92 H new ATOM 0 HB2 ASP A 22 13.458 3.603 7.984 1.00 2.44 H new ATOM 0 HB3 ASP A 22 13.340 2.882 6.392 1.00 2.44 H new ATOM 330 N GLY A 23 15.493 5.177 4.325 1.00 1.96 N ATOM 331 CA GLY A 23 15.967 4.998 2.976 1.00 2.29 C ATOM 332 C GLY A 23 14.778 4.890 2.090 1.00 1.79 C ATOM 333 O GLY A 23 14.745 5.410 0.974 1.00 2.14 O ATOM 0 H GLY A 23 15.193 6.129 4.535 1.00 1.96 H new ATOM 0 HA2 GLY A 23 16.593 5.839 2.676 1.00 2.29 H new ATOM 0 HA3 GLY A 23 16.582 4.101 2.902 1.00 2.29 H new ATOM 337 N THR A 24 13.791 4.244 2.627 1.00 1.42 N ATOM 338 CA THR A 24 12.517 4.087 2.057 1.00 1.57 C ATOM 339 C THR A 24 11.697 5.346 2.312 1.00 1.79 C ATOM 340 O THR A 24 10.968 5.463 3.307 1.00 2.50 O ATOM 341 CB THR A 24 11.874 2.875 2.713 1.00 2.00 C ATOM 342 OG1 THR A 24 12.386 2.782 4.073 1.00 2.76 O ATOM 343 CG2 THR A 24 12.215 1.609 1.950 1.00 2.01 C ATOM 0 H THR A 24 13.874 3.787 3.535 1.00 1.42 H new ATOM 0 HA THR A 24 12.575 3.936 0.979 1.00 1.57 H new ATOM 0 HB THR A 24 10.790 2.985 2.713 1.00 2.00 H new ATOM 0 HG1 THR A 24 12.196 3.616 4.552 1.00 2.76 H new ATOM 0 HG21 THR A 24 11.745 0.754 2.436 1.00 2.01 H new ATOM 0 HG22 THR A 24 11.849 1.691 0.927 1.00 2.01 H new ATOM 0 HG23 THR A 24 13.296 1.471 1.939 1.00 2.01 H new ATOM 351 N ASP A 25 11.948 6.336 1.509 1.00 1.60 N ATOM 352 CA ASP A 25 11.228 7.564 1.594 1.00 1.91 C ATOM 353 C ASP A 25 10.420 7.692 0.342 1.00 1.36 C ATOM 354 O ASP A 25 10.953 7.547 -0.769 1.00 1.34 O ATOM 355 CB ASP A 25 12.158 8.753 1.747 1.00 2.62 C ATOM 356 CG ASP A 25 11.389 10.007 2.054 1.00 3.27 C ATOM 357 OD1 ASP A 25 10.827 10.616 1.140 1.00 3.69 O ATOM 358 OD2 ASP A 25 11.315 10.395 3.244 1.00 3.79 O ATOM 0 H ASP A 25 12.658 6.312 0.777 1.00 1.60 H new ATOM 0 HA ASP A 25 10.588 7.555 2.476 1.00 1.91 H new ATOM 0 HB2 ASP A 25 12.874 8.558 2.545 1.00 2.62 H new ATOM 0 HB3 ASP A 25 12.732 8.890 0.830 1.00 2.62 H new ATOM 363 N LEU A 26 9.164 7.948 0.495 1.00 1.18 N ATOM 364 CA LEU A 26 8.248 7.936 -0.612 1.00 0.83 C ATOM 365 C LEU A 26 7.608 9.304 -0.805 1.00 0.82 C ATOM 366 O LEU A 26 6.456 9.399 -1.203 1.00 0.85 O ATOM 367 CB LEU A 26 7.150 6.858 -0.386 1.00 1.19 C ATOM 368 CG LEU A 26 7.577 5.361 -0.349 1.00 0.80 C ATOM 369 CD1 LEU A 26 8.395 4.978 -1.573 1.00 0.94 C ATOM 370 CD2 LEU A 26 8.293 4.967 0.950 1.00 0.87 C ATOM 0 H LEU A 26 8.735 8.173 1.393 1.00 1.18 H new ATOM 0 HA LEU A 26 8.807 7.691 -1.515 1.00 0.83 H new ATOM 0 HB2 LEU A 26 6.652 7.084 0.557 1.00 1.19 H new ATOM 0 HB3 LEU A 26 6.406 6.971 -1.175 1.00 1.19 H new ATOM 0 HG LEU A 26 6.651 4.787 -0.372 1.00 0.80 H new ATOM 0 HD11 LEU A 26 8.674 3.926 -1.510 1.00 0.94 H new ATOM 0 HD12 LEU A 26 7.802 5.143 -2.473 1.00 0.94 H new ATOM 0 HD13 LEU A 26 9.296 5.590 -1.615 1.00 0.94 H new ATOM 0 HD21 LEU A 26 8.563 3.912 0.911 1.00 0.87 H new ATOM 0 HD22 LEU A 26 9.195 5.569 1.065 1.00 0.87 H new ATOM 0 HD23 LEU A 26 7.630 5.140 1.798 1.00 0.87 H new ATOM 382 N SER A 27 8.351 10.353 -0.526 1.00 0.91 N ATOM 383 CA SER A 27 7.840 11.704 -0.699 1.00 0.99 C ATOM 384 C SER A 27 7.566 12.049 -2.174 1.00 1.04 C ATOM 385 O SER A 27 8.478 12.010 -3.040 1.00 1.44 O ATOM 386 CB SER A 27 8.771 12.729 -0.040 1.00 1.16 C ATOM 387 OG SER A 27 10.125 12.530 -0.433 1.00 1.55 O ATOM 0 H SER A 27 9.309 10.302 -0.179 1.00 0.91 H new ATOM 0 HA SER A 27 6.876 11.749 -0.193 1.00 0.99 H new ATOM 0 HB2 SER A 27 8.456 13.736 -0.312 1.00 1.16 H new ATOM 0 HB3 SER A 27 8.690 12.652 1.044 1.00 1.16 H new ATOM 0 HG SER A 27 10.608 12.063 0.281 1.00 1.55 H new ATOM 393 N GLY A 28 6.321 12.342 -2.456 1.00 1.36 N ATOM 394 CA GLY A 28 5.912 12.727 -3.767 1.00 1.53 C ATOM 395 C GLY A 28 5.112 11.649 -4.443 1.00 1.44 C ATOM 396 O GLY A 28 4.375 10.903 -3.796 1.00 2.11 O ATOM 0 H GLY A 28 5.565 12.317 -1.772 1.00 1.36 H new ATOM 0 HA2 GLY A 28 5.317 13.638 -3.709 1.00 1.53 H new ATOM 0 HA3 GLY A 28 6.791 12.958 -4.368 1.00 1.53 H new ATOM 400 N ASP A 29 5.253 11.576 -5.732 1.00 1.11 N ATOM 401 CA ASP A 29 4.587 10.584 -6.550 1.00 1.05 C ATOM 402 C ASP A 29 5.503 9.392 -6.753 1.00 0.88 C ATOM 403 O ASP A 29 6.535 9.484 -7.429 1.00 1.07 O ATOM 404 CB ASP A 29 4.167 11.196 -7.884 1.00 1.32 C ATOM 405 CG ASP A 29 3.755 10.173 -8.908 1.00 1.67 C ATOM 406 OD1 ASP A 29 3.041 9.221 -8.543 1.00 2.12 O ATOM 407 OD2 ASP A 29 4.137 10.284 -10.090 1.00 2.27 O ATOM 0 H ASP A 29 5.845 12.214 -6.264 1.00 1.11 H new ATOM 0 HA ASP A 29 3.685 10.241 -6.044 1.00 1.05 H new ATOM 0 HB2 ASP A 29 3.339 11.884 -7.715 1.00 1.32 H new ATOM 0 HB3 ASP A 29 4.994 11.785 -8.282 1.00 1.32 H new ATOM 412 N PHE A 30 5.125 8.284 -6.184 1.00 0.67 N ATOM 413 CA PHE A 30 5.969 7.102 -6.161 1.00 0.55 C ATOM 414 C PHE A 30 5.242 5.870 -6.701 1.00 0.42 C ATOM 415 O PHE A 30 5.629 4.738 -6.422 1.00 0.41 O ATOM 416 CB PHE A 30 6.456 6.859 -4.717 1.00 0.56 C ATOM 417 CG PHE A 30 5.356 6.653 -3.697 1.00 0.54 C ATOM 418 CD1 PHE A 30 4.690 7.734 -3.145 1.00 0.68 C ATOM 419 CD2 PHE A 30 4.997 5.381 -3.289 1.00 0.52 C ATOM 420 CE1 PHE A 30 3.695 7.552 -2.214 1.00 0.74 C ATOM 421 CE2 PHE A 30 4.003 5.195 -2.356 1.00 0.60 C ATOM 422 CZ PHE A 30 3.353 6.282 -1.820 1.00 0.69 C ATOM 0 H PHE A 30 4.225 8.164 -5.720 1.00 0.67 H new ATOM 0 HA PHE A 30 6.824 7.274 -6.815 1.00 0.55 H new ATOM 0 HB2 PHE A 30 7.105 5.983 -4.711 1.00 0.56 H new ATOM 0 HB3 PHE A 30 7.064 7.709 -4.407 1.00 0.56 H new ATOM 0 HD1 PHE A 30 4.956 8.735 -3.450 1.00 0.68 H new ATOM 0 HD2 PHE A 30 5.503 4.524 -3.708 1.00 0.52 H new ATOM 0 HE1 PHE A 30 3.184 8.406 -1.794 1.00 0.74 H new ATOM 0 HE2 PHE A 30 3.734 4.196 -2.045 1.00 0.60 H new ATOM 0 HZ PHE A 30 2.572 6.136 -1.088 1.00 0.69 H new ATOM 432 N LEU A 31 4.239 6.081 -7.514 1.00 0.39 N ATOM 433 CA LEU A 31 3.446 4.970 -8.030 1.00 0.35 C ATOM 434 C LEU A 31 4.179 4.154 -9.100 1.00 0.38 C ATOM 435 O LEU A 31 3.906 2.965 -9.260 1.00 0.50 O ATOM 436 CB LEU A 31 2.070 5.428 -8.552 1.00 0.39 C ATOM 437 CG LEU A 31 0.983 5.757 -7.506 1.00 0.54 C ATOM 438 CD1 LEU A 31 1.356 6.942 -6.622 1.00 1.17 C ATOM 439 CD2 LEU A 31 -0.348 5.999 -8.197 1.00 1.45 C ATOM 0 H LEU A 31 3.945 7.002 -7.838 1.00 0.39 H new ATOM 0 HA LEU A 31 3.285 4.312 -7.176 1.00 0.35 H new ATOM 0 HB2 LEU A 31 2.222 6.314 -9.169 1.00 0.39 H new ATOM 0 HB3 LEU A 31 1.682 4.647 -9.206 1.00 0.39 H new ATOM 0 HG LEU A 31 0.897 4.894 -6.846 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.556 7.128 -5.906 1.00 1.17 H new ATOM 0 HD12 LEU A 31 2.278 6.720 -6.086 1.00 1.17 H new ATOM 0 HD13 LEU A 31 1.501 7.827 -7.242 1.00 1.17 H new ATOM 0 HD21 LEU A 31 -1.108 6.230 -7.451 1.00 1.45 H new ATOM 0 HD22 LEU A 31 -0.252 6.836 -8.889 1.00 1.45 H new ATOM 0 HD23 LEU A 31 -0.640 5.105 -8.748 1.00 1.45 H new ATOM 451 N ASP A 32 5.145 4.767 -9.775 1.00 0.44 N ATOM 452 CA ASP A 32 5.851 4.111 -10.895 1.00 0.57 C ATOM 453 C ASP A 32 7.006 3.252 -10.403 1.00 0.48 C ATOM 454 O ASP A 32 7.718 2.606 -11.177 1.00 0.54 O ATOM 455 CB ASP A 32 6.342 5.156 -11.908 1.00 0.84 C ATOM 456 CG ASP A 32 6.899 4.547 -13.182 1.00 1.69 C ATOM 457 OD1 ASP A 32 6.143 3.857 -13.902 1.00 2.45 O ATOM 458 OD2 ASP A 32 8.098 4.759 -13.498 1.00 2.24 O ATOM 0 H ASP A 32 5.464 5.715 -9.575 1.00 0.44 H new ATOM 0 HA ASP A 32 5.141 3.450 -11.393 1.00 0.57 H new ATOM 0 HB2 ASP A 32 5.516 5.820 -12.163 1.00 0.84 H new ATOM 0 HB3 ASP A 32 7.112 5.770 -11.441 1.00 0.84 H new ATOM 463 N LEU A 33 7.172 3.229 -9.115 1.00 0.43 N ATOM 464 CA LEU A 33 8.203 2.445 -8.498 1.00 0.40 C ATOM 465 C LEU A 33 7.761 0.993 -8.423 1.00 0.33 C ATOM 466 O LEU A 33 6.627 0.661 -8.761 1.00 0.36 O ATOM 467 CB LEU A 33 8.474 2.955 -7.084 1.00 0.44 C ATOM 468 CG LEU A 33 8.901 4.422 -6.952 1.00 0.57 C ATOM 469 CD1 LEU A 33 9.213 4.752 -5.504 1.00 0.67 C ATOM 470 CD2 LEU A 33 10.096 4.737 -7.842 1.00 0.71 C ATOM 0 H LEU A 33 6.595 3.755 -8.459 1.00 0.43 H new ATOM 0 HA LEU A 33 9.112 2.527 -9.094 1.00 0.40 H new ATOM 0 HB2 LEU A 33 7.572 2.808 -6.490 1.00 0.44 H new ATOM 0 HB3 LEU A 33 9.252 2.333 -6.641 1.00 0.44 H new ATOM 0 HG LEU A 33 8.069 5.044 -7.283 1.00 0.57 H new ATOM 0 HD11 LEU A 33 9.515 5.796 -5.426 1.00 0.67 H new ATOM 0 HD12 LEU A 33 8.326 4.584 -4.893 1.00 0.67 H new ATOM 0 HD13 LEU A 33 10.023 4.113 -5.152 1.00 0.67 H new ATOM 0 HD21 LEU A 33 10.372 5.785 -7.723 1.00 0.71 H new ATOM 0 HD22 LEU A 33 10.938 4.106 -7.558 1.00 0.71 H new ATOM 0 HD23 LEU A 33 9.835 4.546 -8.883 1.00 0.71 H new ATOM 482 N ARG A 34 8.643 0.141 -8.001 1.00 0.31 N ATOM 483 CA ARG A 34 8.319 -1.241 -7.774 1.00 0.32 C ATOM 484 C ARG A 34 8.786 -1.639 -6.409 1.00 0.36 C ATOM 485 O ARG A 34 9.795 -1.124 -5.917 1.00 0.48 O ATOM 486 CB ARG A 34 8.899 -2.156 -8.850 1.00 0.43 C ATOM 487 CG ARG A 34 8.189 -2.043 -10.183 1.00 0.59 C ATOM 488 CD ARG A 34 8.767 -2.984 -11.198 1.00 0.89 C ATOM 489 NE ARG A 34 7.992 -3.012 -12.439 1.00 1.94 N ATOM 490 CZ ARG A 34 8.516 -3.111 -13.654 1.00 2.65 C ATOM 491 NH1 ARG A 34 9.841 -3.046 -13.821 1.00 2.65 N ATOM 492 NH2 ARG A 34 7.720 -3.266 -14.708 1.00 3.76 N ATOM 0 H ARG A 34 9.614 0.382 -7.802 1.00 0.31 H new ATOM 0 HA ARG A 34 7.236 -1.355 -7.832 1.00 0.32 H new ATOM 0 HB2 ARG A 34 9.954 -1.919 -8.988 1.00 0.43 H new ATOM 0 HB3 ARG A 34 8.846 -3.189 -8.505 1.00 0.43 H new ATOM 0 HG2 ARG A 34 7.128 -2.257 -10.050 1.00 0.59 H new ATOM 0 HG3 ARG A 34 8.264 -1.020 -10.550 1.00 0.59 H new ATOM 0 HD2 ARG A 34 9.793 -2.689 -11.420 1.00 0.89 H new ATOM 0 HD3 ARG A 34 8.808 -3.988 -10.776 1.00 0.89 H new ATOM 0 HE ARG A 34 6.977 -2.951 -12.365 1.00 1.94 H new ATOM 0 HH11 ARG A 34 10.451 -2.920 -13.013 1.00 2.65 H new ATOM 0 HH12 ARG A 34 10.242 -3.122 -14.756 1.00 2.65 H new ATOM 0 HH21 ARG A 34 6.709 -3.309 -14.582 1.00 3.76 H new ATOM 0 HH22 ARG A 34 8.121 -3.342 -15.643 1.00 3.76 H new ATOM 506 N PHE A 35 8.074 -2.543 -5.791 1.00 0.35 N ATOM 507 CA PHE A 35 8.374 -2.956 -4.436 1.00 0.41 C ATOM 508 C PHE A 35 9.691 -3.694 -4.325 1.00 0.48 C ATOM 509 O PHE A 35 10.358 -3.610 -3.310 1.00 0.54 O ATOM 510 CB PHE A 35 7.227 -3.747 -3.827 1.00 0.41 C ATOM 511 CG PHE A 35 5.995 -2.920 -3.616 1.00 0.39 C ATOM 512 CD1 PHE A 35 6.011 -1.823 -2.785 1.00 0.40 C ATOM 513 CD2 PHE A 35 4.811 -3.255 -4.248 1.00 0.42 C ATOM 514 CE1 PHE A 35 4.876 -1.067 -2.595 1.00 0.44 C ATOM 515 CE2 PHE A 35 3.674 -2.505 -4.061 1.00 0.46 C ATOM 516 CZ PHE A 35 3.732 -1.375 -3.217 1.00 0.46 C ATOM 0 H PHE A 35 7.271 -3.016 -6.206 1.00 0.35 H new ATOM 0 HA PHE A 35 8.490 -2.043 -3.852 1.00 0.41 H new ATOM 0 HB2 PHE A 35 6.987 -4.588 -4.477 1.00 0.41 H new ATOM 0 HB3 PHE A 35 7.547 -4.164 -2.872 1.00 0.41 H new ATOM 0 HD1 PHE A 35 6.924 -1.552 -2.276 1.00 0.40 H new ATOM 0 HD2 PHE A 35 4.779 -4.118 -4.897 1.00 0.42 H new ATOM 0 HE1 PHE A 35 4.910 -0.213 -1.934 1.00 0.44 H new ATOM 0 HE2 PHE A 35 2.751 -2.776 -4.552 1.00 0.46 H new ATOM 0 HZ PHE A 35 2.855 -0.761 -3.074 1.00 0.46 H new ATOM 526 N GLU A 36 10.082 -4.364 -5.389 1.00 0.56 N ATOM 527 CA GLU A 36 11.348 -5.082 -5.419 1.00 0.70 C ATOM 528 C GLU A 36 12.515 -4.081 -5.321 1.00 0.69 C ATOM 529 O GLU A 36 13.550 -4.351 -4.702 1.00 0.80 O ATOM 530 CB GLU A 36 11.452 -5.880 -6.719 1.00 0.88 C ATOM 531 CG GLU A 36 12.597 -6.869 -6.748 1.00 1.65 C ATOM 532 CD GLU A 36 12.453 -7.913 -5.677 1.00 2.01 C ATOM 533 OE1 GLU A 36 11.634 -8.835 -5.829 1.00 2.26 O ATOM 534 OE2 GLU A 36 13.165 -7.822 -4.652 1.00 2.71 O ATOM 0 H GLU A 36 9.541 -4.429 -6.251 1.00 0.56 H new ATOM 0 HA GLU A 36 11.397 -5.768 -4.573 1.00 0.70 H new ATOM 0 HB2 GLU A 36 10.517 -6.418 -6.878 1.00 0.88 H new ATOM 0 HB3 GLU A 36 11.565 -5.185 -7.551 1.00 0.88 H new ATOM 0 HG2 GLU A 36 12.637 -7.352 -7.724 1.00 1.65 H new ATOM 0 HG3 GLU A 36 13.540 -6.339 -6.616 1.00 1.65 H new ATOM 541 N ASP A 37 12.298 -2.912 -5.908 1.00 0.67 N ATOM 542 CA ASP A 37 13.282 -1.834 -5.925 1.00 0.76 C ATOM 543 C ASP A 37 13.380 -1.209 -4.548 1.00 0.72 C ATOM 544 O ASP A 37 14.465 -1.077 -3.981 1.00 0.87 O ATOM 545 CB ASP A 37 12.847 -0.756 -6.932 1.00 0.88 C ATOM 546 CG ASP A 37 13.828 0.404 -7.076 1.00 1.13 C ATOM 547 OD1 ASP A 37 13.926 1.253 -6.173 1.00 1.61 O ATOM 548 OD2 ASP A 37 14.476 0.512 -8.148 1.00 1.43 O ATOM 0 H ASP A 37 11.429 -2.682 -6.390 1.00 0.67 H new ATOM 0 HA ASP A 37 14.251 -2.241 -6.213 1.00 0.76 H new ATOM 0 HB2 ASP A 37 12.708 -1.222 -7.908 1.00 0.88 H new ATOM 0 HB3 ASP A 37 11.878 -0.361 -6.627 1.00 0.88 H new ATOM 553 N ILE A 38 12.228 -0.882 -3.988 1.00 0.59 N ATOM 554 CA ILE A 38 12.180 -0.188 -2.713 1.00 0.62 C ATOM 555 C ILE A 38 12.231 -1.120 -1.501 1.00 0.60 C ATOM 556 O ILE A 38 12.085 -0.681 -0.369 1.00 0.66 O ATOM 557 CB ILE A 38 11.003 0.816 -2.608 1.00 0.61 C ATOM 558 CG1 ILE A 38 9.654 0.113 -2.848 1.00 0.52 C ATOM 559 CG2 ILE A 38 11.208 1.954 -3.602 1.00 0.70 C ATOM 560 CD1 ILE A 38 8.445 1.024 -2.739 1.00 0.57 C ATOM 0 H ILE A 38 11.315 -1.085 -4.395 1.00 0.59 H new ATOM 0 HA ILE A 38 13.100 0.396 -2.689 1.00 0.62 H new ATOM 0 HB ILE A 38 10.983 1.228 -1.599 1.00 0.61 H new ATOM 0 HG12 ILE A 38 9.665 -0.339 -3.840 1.00 0.52 H new ATOM 0 HG13 ILE A 38 9.548 -0.699 -2.129 1.00 0.52 H new ATOM 0 HG21 ILE A 38 10.379 2.658 -3.526 1.00 0.70 H new ATOM 0 HG22 ILE A 38 12.143 2.469 -3.378 1.00 0.70 H new ATOM 0 HG23 ILE A 38 11.249 1.550 -4.614 1.00 0.70 H new ATOM 0 HD11 ILE A 38 7.538 0.448 -2.922 1.00 0.57 H new ATOM 0 HD12 ILE A 38 8.405 1.457 -1.739 1.00 0.57 H new ATOM 0 HD13 ILE A 38 8.523 1.822 -3.477 1.00 0.57 H new ATOM 572 N GLY A 39 12.492 -2.385 -1.746 1.00 0.57 N ATOM 573 CA GLY A 39 12.707 -3.334 -0.671 1.00 0.58 C ATOM 574 C GLY A 39 11.454 -3.679 0.108 1.00 0.50 C ATOM 575 O GLY A 39 11.440 -3.617 1.332 1.00 0.57 O ATOM 0 H GLY A 39 12.561 -2.783 -2.682 1.00 0.57 H new ATOM 0 HA2 GLY A 39 13.127 -4.250 -1.087 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.449 -2.927 0.016 1.00 0.58 H new ATOM 579 N TYR A 40 10.418 -4.026 -0.589 1.00 0.43 N ATOM 580 CA TYR A 40 9.172 -4.406 0.028 1.00 0.41 C ATOM 581 C TYR A 40 8.766 -5.780 -0.404 1.00 0.45 C ATOM 582 O TYR A 40 8.657 -6.054 -1.600 1.00 0.67 O ATOM 583 CB TYR A 40 8.056 -3.444 -0.355 1.00 0.44 C ATOM 584 CG TYR A 40 7.972 -2.173 0.434 1.00 0.49 C ATOM 585 CD1 TYR A 40 8.933 -1.191 0.326 1.00 0.66 C ATOM 586 CD2 TYR A 40 6.889 -1.945 1.266 1.00 0.61 C ATOM 587 CE1 TYR A 40 8.829 -0.016 1.022 1.00 0.88 C ATOM 588 CE2 TYR A 40 6.769 -0.781 1.973 1.00 0.86 C ATOM 589 CZ TYR A 40 7.754 0.192 1.845 1.00 0.98 C ATOM 590 OH TYR A 40 7.653 1.374 2.520 1.00 1.26 O ATOM 0 H TYR A 40 10.406 -4.056 -1.608 1.00 0.43 H new ATOM 0 HA TYR A 40 9.328 -4.381 1.107 1.00 0.41 H new ATOM 0 HB2 TYR A 40 8.174 -3.186 -1.407 1.00 0.44 H new ATOM 0 HB3 TYR A 40 7.105 -3.969 -0.260 1.00 0.44 H new ATOM 0 HD1 TYR A 40 9.784 -1.351 -0.320 1.00 0.66 H new ATOM 0 HD2 TYR A 40 6.124 -2.702 1.358 1.00 0.61 H new ATOM 0 HE1 TYR A 40 9.591 0.743 0.922 1.00 0.88 H new ATOM 0 HE2 TYR A 40 5.921 -0.619 2.622 1.00 0.86 H new ATOM 0 HH TYR A 40 7.192 1.226 3.372 1.00 1.26 H new ATOM 600 N ASP A 41 8.572 -6.654 0.535 1.00 0.48 N ATOM 601 CA ASP A 41 8.024 -7.944 0.223 1.00 0.59 C ATOM 602 C ASP A 41 6.551 -7.905 0.426 1.00 0.45 C ATOM 603 O ASP A 41 6.020 -6.998 1.083 1.00 0.39 O ATOM 604 CB ASP A 41 8.640 -9.105 1.023 1.00 0.85 C ATOM 605 CG ASP A 41 10.007 -9.498 0.558 1.00 1.50 C ATOM 606 OD1 ASP A 41 10.136 -10.126 -0.513 1.00 2.11 O ATOM 607 OD2 ASP A 41 10.993 -9.187 1.275 1.00 2.01 O ATOM 0 H ASP A 41 8.783 -6.502 1.521 1.00 0.48 H new ATOM 0 HA ASP A 41 8.272 -8.147 -0.819 1.00 0.59 H new ATOM 0 HB2 ASP A 41 8.691 -8.823 2.075 1.00 0.85 H new ATOM 0 HB3 ASP A 41 7.981 -9.970 0.957 1.00 0.85 H new ATOM 612 N SER A 42 5.901 -8.870 -0.112 1.00 0.45 N ATOM 613 CA SER A 42 4.477 -8.985 -0.086 1.00 0.41 C ATOM 614 C SER A 42 3.875 -9.040 1.320 1.00 0.33 C ATOM 615 O SER A 42 2.812 -8.492 1.549 1.00 0.30 O ATOM 616 CB SER A 42 4.105 -10.170 -0.915 1.00 0.50 C ATOM 617 OG SER A 42 5.288 -11.065 -1.039 1.00 0.71 O ATOM 0 H SER A 42 6.359 -9.637 -0.605 1.00 0.45 H new ATOM 0 HA SER A 42 4.047 -8.075 -0.505 1.00 0.41 H new ATOM 0 HB2 SER A 42 3.274 -10.705 -0.455 1.00 0.50 H new ATOM 0 HB3 SER A 42 3.770 -9.849 -1.902 1.00 0.50 H new ATOM 622 N LEU A 43 4.563 -9.662 2.247 1.00 0.35 N ATOM 623 CA LEU A 43 4.090 -9.748 3.617 1.00 0.37 C ATOM 624 C LEU A 43 4.049 -8.349 4.261 1.00 0.33 C ATOM 625 O LEU A 43 3.138 -8.033 5.019 1.00 0.38 O ATOM 626 CB LEU A 43 4.964 -10.704 4.424 1.00 0.49 C ATOM 627 CG LEU A 43 4.420 -11.129 5.781 1.00 0.63 C ATOM 628 CD1 LEU A 43 3.120 -11.905 5.608 1.00 1.02 C ATOM 629 CD2 LEU A 43 5.444 -11.967 6.522 1.00 1.03 C ATOM 0 H LEU A 43 5.459 -10.120 2.081 1.00 0.35 H new ATOM 0 HA LEU A 43 3.075 -10.145 3.613 1.00 0.37 H new ATOM 0 HB2 LEU A 43 5.133 -11.600 3.827 1.00 0.49 H new ATOM 0 HB3 LEU A 43 5.936 -10.234 4.576 1.00 0.49 H new ATOM 0 HG LEU A 43 4.215 -10.235 6.370 1.00 0.63 H new ATOM 0 HD11 LEU A 43 2.741 -12.203 6.586 1.00 1.02 H new ATOM 0 HD12 LEU A 43 2.383 -11.274 5.110 1.00 1.02 H new ATOM 0 HD13 LEU A 43 3.304 -12.793 5.004 1.00 1.02 H new ATOM 0 HD21 LEU A 43 5.040 -12.263 7.490 1.00 1.03 H new ATOM 0 HD22 LEU A 43 5.676 -12.858 5.938 1.00 1.03 H new ATOM 0 HD23 LEU A 43 6.353 -11.384 6.671 1.00 1.03 H new ATOM 641 N ALA A 44 5.006 -7.507 3.905 1.00 0.33 N ATOM 642 CA ALA A 44 5.040 -6.132 4.385 1.00 0.37 C ATOM 643 C ALA A 44 3.950 -5.346 3.702 1.00 0.31 C ATOM 644 O ALA A 44 3.379 -4.430 4.266 1.00 0.35 O ATOM 645 CB ALA A 44 6.393 -5.491 4.124 1.00 0.46 C ATOM 0 H ALA A 44 5.775 -7.753 3.281 1.00 0.33 H new ATOM 0 HA ALA A 44 4.878 -6.131 5.463 1.00 0.37 H new ATOM 0 HB1 ALA A 44 6.387 -4.465 4.493 1.00 0.46 H new ATOM 0 HB2 ALA A 44 7.169 -6.057 4.638 1.00 0.46 H new ATOM 0 HB3 ALA A 44 6.594 -5.490 3.053 1.00 0.46 H new ATOM 651 N LEU A 45 3.644 -5.734 2.485 1.00 0.26 N ATOM 652 CA LEU A 45 2.563 -5.118 1.738 1.00 0.25 C ATOM 653 C LEU A 45 1.228 -5.461 2.377 1.00 0.28 C ATOM 654 O LEU A 45 0.293 -4.654 2.359 1.00 0.29 O ATOM 655 CB LEU A 45 2.591 -5.559 0.282 1.00 0.28 C ATOM 656 CG LEU A 45 3.824 -5.130 -0.480 1.00 0.34 C ATOM 657 CD1 LEU A 45 3.773 -5.625 -1.906 1.00 0.39 C ATOM 658 CD2 LEU A 45 3.927 -3.628 -0.443 1.00 0.40 C ATOM 0 H LEU A 45 4.130 -6.479 1.986 1.00 0.26 H new ATOM 0 HA LEU A 45 2.696 -4.036 1.763 1.00 0.25 H new ATOM 0 HB2 LEU A 45 2.515 -6.646 0.243 1.00 0.28 H new ATOM 0 HB3 LEU A 45 1.711 -5.160 -0.222 1.00 0.28 H new ATOM 0 HG LEU A 45 4.706 -5.566 -0.011 1.00 0.34 H new ATOM 0 HD11 LEU A 45 4.671 -5.304 -2.435 1.00 0.39 H new ATOM 0 HD12 LEU A 45 3.718 -6.714 -1.912 1.00 0.39 H new ATOM 0 HD13 LEU A 45 2.893 -5.215 -2.402 1.00 0.39 H new ATOM 0 HD21 LEU A 45 4.814 -3.311 -0.991 1.00 0.40 H new ATOM 0 HD22 LEU A 45 3.041 -3.191 -0.903 1.00 0.40 H new ATOM 0 HD23 LEU A 45 4.001 -3.294 0.592 1.00 0.40 H new ATOM 670 N MET A 46 1.154 -6.662 2.952 1.00 0.34 N ATOM 671 CA MET A 46 -0.015 -7.093 3.715 1.00 0.44 C ATOM 672 C MET A 46 -0.181 -6.149 4.858 1.00 0.40 C ATOM 673 O MET A 46 -1.222 -5.572 5.037 1.00 0.45 O ATOM 674 CB MET A 46 0.177 -8.476 4.313 1.00 0.71 C ATOM 675 CG MET A 46 0.526 -9.561 3.344 1.00 0.38 C ATOM 676 SD MET A 46 -0.737 -9.855 2.101 1.00 1.64 S ATOM 677 CE MET A 46 -2.154 -10.215 3.125 1.00 2.26 C ATOM 0 H MET A 46 1.898 -7.358 2.902 1.00 0.34 H new ATOM 0 HA MET A 46 -0.873 -7.111 3.044 1.00 0.44 H new ATOM 0 HB2 MET A 46 0.964 -8.420 5.066 1.00 0.71 H new ATOM 0 HB3 MET A 46 -0.740 -8.758 4.831 1.00 0.71 H new ATOM 0 HG2 MET A 46 1.461 -9.304 2.845 1.00 0.38 H new ATOM 0 HG3 MET A 46 0.703 -10.485 3.895 1.00 0.38 H new ATOM 0 HE1 MET A 46 -2.635 -11.127 2.772 1.00 2.26 H new ATOM 0 HE2 MET A 46 -1.832 -10.351 4.157 1.00 2.26 H new ATOM 0 HE3 MET A 46 -2.861 -9.387 3.071 1.00 2.26 H new ATOM 687 N GLU A 47 0.902 -5.993 5.598 1.00 0.40 N ATOM 688 CA GLU A 47 1.003 -5.102 6.741 1.00 0.46 C ATOM 689 C GLU A 47 0.624 -3.652 6.367 1.00 0.43 C ATOM 690 O GLU A 47 -0.110 -2.984 7.103 1.00 0.53 O ATOM 691 CB GLU A 47 2.424 -5.174 7.266 1.00 0.54 C ATOM 692 CG GLU A 47 2.765 -6.434 8.033 1.00 1.22 C ATOM 693 CD GLU A 47 4.191 -6.429 8.531 1.00 1.77 C ATOM 694 OE1 GLU A 47 4.486 -5.710 9.508 1.00 2.22 O ATOM 695 OE2 GLU A 47 5.046 -7.135 7.958 1.00 2.46 O ATOM 0 H GLU A 47 1.767 -6.501 5.413 1.00 0.40 H new ATOM 0 HA GLU A 47 0.300 -5.416 7.513 1.00 0.46 H new ATOM 0 HB2 GLU A 47 3.110 -5.083 6.424 1.00 0.54 H new ATOM 0 HB3 GLU A 47 2.599 -4.315 7.914 1.00 0.54 H new ATOM 0 HG2 GLU A 47 2.086 -6.537 8.880 1.00 1.22 H new ATOM 0 HG3 GLU A 47 2.609 -7.301 7.392 1.00 1.22 H new ATOM 702 N THR A 48 1.115 -3.204 5.221 1.00 0.33 N ATOM 703 CA THR A 48 0.806 -1.892 4.673 1.00 0.33 C ATOM 704 C THR A 48 -0.724 -1.756 4.460 1.00 0.31 C ATOM 705 O THR A 48 -1.365 -0.817 4.964 1.00 0.36 O ATOM 706 CB THR A 48 1.537 -1.723 3.312 1.00 0.32 C ATOM 707 OG1 THR A 48 2.960 -1.862 3.492 1.00 0.37 O ATOM 708 CG2 THR A 48 1.241 -0.364 2.689 1.00 0.38 C ATOM 0 H THR A 48 1.749 -3.750 4.637 1.00 0.33 H new ATOM 0 HA THR A 48 1.138 -1.121 5.369 1.00 0.33 H new ATOM 0 HB THR A 48 1.171 -2.501 2.642 1.00 0.32 H new ATOM 0 HG1 THR A 48 3.183 -2.808 3.618 1.00 0.37 H new ATOM 0 HG21 THR A 48 1.767 -0.277 1.738 1.00 0.38 H new ATOM 0 HG22 THR A 48 0.168 -0.267 2.520 1.00 0.38 H new ATOM 0 HG23 THR A 48 1.575 0.425 3.362 1.00 0.38 H new ATOM 716 N ALA A 49 -1.296 -2.701 3.719 1.00 0.29 N ATOM 717 CA ALA A 49 -2.705 -2.702 3.425 1.00 0.31 C ATOM 718 C ALA A 49 -3.521 -2.857 4.697 1.00 0.29 C ATOM 719 O ALA A 49 -4.497 -2.173 4.867 1.00 0.27 O ATOM 720 CB ALA A 49 -3.045 -3.798 2.426 1.00 0.35 C ATOM 0 H ALA A 49 -0.785 -3.484 3.310 1.00 0.29 H new ATOM 0 HA ALA A 49 -2.960 -1.742 2.975 1.00 0.31 H new ATOM 0 HB1 ALA A 49 -4.115 -3.781 2.218 1.00 0.35 H new ATOM 0 HB2 ALA A 49 -2.493 -3.632 1.501 1.00 0.35 H new ATOM 0 HB3 ALA A 49 -2.772 -4.767 2.842 1.00 0.35 H new ATOM 726 N ALA A 50 -3.046 -3.711 5.605 1.00 0.33 N ATOM 727 CA ALA A 50 -3.703 -4.031 6.883 1.00 0.37 C ATOM 728 C ALA A 50 -4.080 -2.791 7.656 1.00 0.33 C ATOM 729 O ALA A 50 -5.203 -2.684 8.186 1.00 0.34 O ATOM 730 CB ALA A 50 -2.785 -4.878 7.732 1.00 0.47 C ATOM 0 H ALA A 50 -2.170 -4.216 5.472 1.00 0.33 H new ATOM 0 HA ALA A 50 -4.618 -4.575 6.648 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.276 -5.112 8.677 1.00 0.47 H new ATOM 0 HB2 ALA A 50 -2.553 -5.803 7.205 1.00 0.47 H new ATOM 0 HB3 ALA A 50 -1.863 -4.331 7.928 1.00 0.47 H new ATOM 736 N ARG A 51 -3.144 -1.860 7.716 1.00 0.34 N ATOM 737 CA ARG A 51 -3.327 -0.596 8.391 1.00 0.36 C ATOM 738 C ARG A 51 -4.526 0.127 7.805 1.00 0.33 C ATOM 739 O ARG A 51 -5.442 0.528 8.516 1.00 0.42 O ATOM 740 CB ARG A 51 -2.091 0.268 8.183 1.00 0.44 C ATOM 741 CG ARG A 51 -2.148 1.626 8.854 1.00 0.54 C ATOM 742 CD ARG A 51 -1.025 2.503 8.359 1.00 0.88 C ATOM 743 NE ARG A 51 -0.989 3.803 9.044 1.00 1.06 N ATOM 744 CZ ARG A 51 -1.143 4.998 8.466 1.00 1.91 C ATOM 745 NH1 ARG A 51 -1.446 5.097 7.159 1.00 2.92 N ATOM 746 NH2 ARG A 51 -0.998 6.080 9.208 1.00 2.00 N ATOM 0 H ARG A 51 -2.224 -1.967 7.290 1.00 0.34 H new ATOM 0 HA ARG A 51 -3.487 -0.777 9.454 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -1.220 -0.271 8.557 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -1.941 0.412 7.113 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -3.107 2.101 8.648 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -2.077 1.508 9.935 1.00 0.54 H new ATOM 0 HD2 ARG A 51 -0.074 1.990 8.507 1.00 0.88 H new ATOM 0 HD3 ARG A 51 -1.137 2.663 7.287 1.00 0.88 H new ATOM 0 HE ARG A 51 -0.832 3.792 10.052 1.00 1.06 H new ATOM 0 HH11 ARG A 51 -1.561 4.254 6.597 1.00 2.92 H new ATOM 0 HH12 ARG A 51 -1.561 6.015 6.730 1.00 2.92 H new ATOM 0 HH21 ARG A 51 -0.773 5.992 10.199 1.00 2.00 H new ATOM 0 HH22 ARG A 51 -1.110 7.004 8.790 1.00 2.00 H new ATOM 760 N LEU A 52 -4.528 0.241 6.499 1.00 0.28 N ATOM 761 CA LEU A 52 -5.542 0.979 5.791 1.00 0.30 C ATOM 762 C LEU A 52 -6.864 0.222 5.750 1.00 0.30 C ATOM 763 O LEU A 52 -7.920 0.821 5.928 1.00 0.37 O ATOM 764 CB LEU A 52 -5.055 1.345 4.389 1.00 0.31 C ATOM 765 CG LEU A 52 -3.746 2.154 4.342 1.00 0.35 C ATOM 766 CD1 LEU A 52 -3.372 2.494 2.917 1.00 0.41 C ATOM 767 CD2 LEU A 52 -3.854 3.417 5.181 1.00 0.40 C ATOM 0 H LEU A 52 -3.821 -0.179 5.895 1.00 0.28 H new ATOM 0 HA LEU A 52 -5.729 1.905 6.335 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -4.917 0.427 3.818 1.00 0.31 H new ATOM 0 HB3 LEU A 52 -5.836 1.917 3.888 1.00 0.31 H new ATOM 0 HG LEU A 52 -2.956 1.533 4.764 1.00 0.35 H new ATOM 0 HD11 LEU A 52 -2.444 3.066 2.911 1.00 0.41 H new ATOM 0 HD12 LEU A 52 -3.236 1.575 2.347 1.00 0.41 H new ATOM 0 HD13 LEU A 52 -4.166 3.087 2.464 1.00 0.41 H new ATOM 0 HD21 LEU A 52 -2.916 3.969 5.130 1.00 0.40 H new ATOM 0 HD22 LEU A 52 -4.663 4.040 4.799 1.00 0.40 H new ATOM 0 HD23 LEU A 52 -4.061 3.149 6.217 1.00 0.40 H new ATOM 779 N GLU A 53 -6.793 -1.089 5.560 1.00 0.27 N ATOM 780 CA GLU A 53 -7.970 -1.951 5.542 1.00 0.30 C ATOM 781 C GLU A 53 -8.758 -1.802 6.824 1.00 0.33 C ATOM 782 O GLU A 53 -9.944 -1.510 6.794 1.00 0.35 O ATOM 783 CB GLU A 53 -7.590 -3.425 5.377 1.00 0.33 C ATOM 784 CG GLU A 53 -7.071 -3.840 4.022 1.00 0.37 C ATOM 785 CD GLU A 53 -6.745 -5.313 4.010 1.00 0.58 C ATOM 786 OE1 GLU A 53 -7.654 -6.144 3.801 1.00 0.71 O ATOM 787 OE2 GLU A 53 -5.592 -5.673 4.262 1.00 0.91 O ATOM 0 H GLU A 53 -5.915 -1.587 5.413 1.00 0.27 H new ATOM 0 HA GLU A 53 -8.575 -1.641 4.690 1.00 0.30 H new ATOM 0 HB2 GLU A 53 -6.831 -3.667 6.121 1.00 0.33 H new ATOM 0 HB3 GLU A 53 -8.467 -4.031 5.607 1.00 0.33 H new ATOM 0 HG2 GLU A 53 -7.816 -3.620 3.258 1.00 0.37 H new ATOM 0 HG3 GLU A 53 -6.180 -3.262 3.774 1.00 0.37 H new ATOM 794 N SER A 54 -8.078 -1.962 7.940 1.00 0.37 N ATOM 795 CA SER A 54 -8.705 -1.881 9.241 1.00 0.44 C ATOM 796 C SER A 54 -9.179 -0.449 9.535 1.00 0.43 C ATOM 797 O SER A 54 -10.247 -0.241 10.107 1.00 0.52 O ATOM 798 CB SER A 54 -7.704 -2.334 10.303 1.00 0.54 C ATOM 799 OG SER A 54 -7.127 -3.595 9.951 1.00 1.44 O ATOM 0 H SER A 54 -7.076 -2.152 7.970 1.00 0.37 H new ATOM 0 HA SER A 54 -9.580 -2.531 9.256 1.00 0.44 H new ATOM 0 HB2 SER A 54 -6.918 -1.587 10.411 1.00 0.54 H new ATOM 0 HB3 SER A 54 -8.203 -2.414 11.269 1.00 0.54 H new ATOM 0 HG SER A 54 -6.402 -3.455 9.307 1.00 1.44 H new ATOM 805 N ARG A 55 -8.389 0.523 9.107 1.00 0.44 N ATOM 806 CA ARG A 55 -8.667 1.930 9.355 1.00 0.50 C ATOM 807 C ARG A 55 -9.913 2.401 8.600 1.00 0.50 C ATOM 808 O ARG A 55 -10.816 3.008 9.183 1.00 0.62 O ATOM 809 CB ARG A 55 -7.461 2.763 8.941 1.00 0.59 C ATOM 810 CG ARG A 55 -7.567 4.241 9.217 1.00 0.97 C ATOM 811 CD ARG A 55 -6.339 4.951 8.703 1.00 1.13 C ATOM 812 NE ARG A 55 -6.361 6.384 8.965 1.00 1.24 N ATOM 813 CZ ARG A 55 -5.592 7.279 8.327 1.00 1.64 C ATOM 814 NH1 ARG A 55 -4.893 6.908 7.252 1.00 1.93 N ATOM 815 NH2 ARG A 55 -5.555 8.538 8.734 1.00 2.25 N ATOM 0 H ARG A 55 -7.534 0.358 8.576 1.00 0.44 H new ATOM 0 HA ARG A 55 -8.860 2.058 10.420 1.00 0.50 H new ATOM 0 HB2 ARG A 55 -6.581 2.377 9.456 1.00 0.59 H new ATOM 0 HB3 ARG A 55 -7.293 2.622 7.873 1.00 0.59 H new ATOM 0 HG2 ARG A 55 -8.458 4.646 8.738 1.00 0.97 H new ATOM 0 HG3 ARG A 55 -7.675 4.413 10.288 1.00 0.97 H new ATOM 0 HD2 ARG A 55 -5.453 4.516 9.166 1.00 1.13 H new ATOM 0 HD3 ARG A 55 -6.252 4.784 7.629 1.00 1.13 H new ATOM 0 HE ARG A 55 -7.002 6.729 9.679 1.00 1.24 H new ATOM 0 HH11 ARG A 55 -4.944 5.946 6.917 1.00 1.93 H new ATOM 0 HH12 ARG A 55 -4.308 7.587 6.765 1.00 1.93 H new ATOM 0 HH21 ARG A 55 -6.113 8.831 9.536 1.00 2.25 H new ATOM 0 HH22 ARG A 55 -4.969 9.215 8.246 1.00 2.25 H new ATOM 829 N TYR A 56 -9.963 2.120 7.319 1.00 0.42 N ATOM 830 CA TYR A 56 -11.071 2.563 6.488 1.00 0.44 C ATOM 831 C TYR A 56 -12.230 1.575 6.495 1.00 0.43 C ATOM 832 O TYR A 56 -13.318 1.891 6.022 1.00 0.52 O ATOM 833 CB TYR A 56 -10.598 2.866 5.063 1.00 0.44 C ATOM 834 CG TYR A 56 -9.587 3.993 5.008 1.00 0.49 C ATOM 835 CD1 TYR A 56 -8.229 3.739 5.105 1.00 0.48 C ATOM 836 CD2 TYR A 56 -9.995 5.304 4.832 1.00 0.62 C ATOM 837 CE1 TYR A 56 -7.308 4.763 5.023 1.00 0.55 C ATOM 838 CE2 TYR A 56 -9.091 6.327 4.753 1.00 0.71 C ATOM 839 CZ TYR A 56 -7.733 6.051 4.964 1.00 0.69 C ATOM 840 OH TYR A 56 -6.837 7.080 4.752 1.00 0.77 O ATOM 0 H TYR A 56 -9.250 1.585 6.823 1.00 0.42 H new ATOM 0 HA TYR A 56 -11.450 3.488 6.922 1.00 0.44 H new ATOM 0 HB2 TYR A 56 -10.157 1.967 4.632 1.00 0.44 H new ATOM 0 HB3 TYR A 56 -11.459 3.126 4.447 1.00 0.44 H new ATOM 0 HD1 TYR A 56 -7.886 2.725 5.247 1.00 0.48 H new ATOM 0 HD2 TYR A 56 -11.050 5.524 4.755 1.00 0.62 H new ATOM 0 HE1 TYR A 56 -6.251 4.540 5.006 1.00 0.55 H new ATOM 0 HE2 TYR A 56 -9.418 7.332 4.531 1.00 0.71 H new ATOM 0 HH TYR A 56 -5.992 6.714 4.415 1.00 0.77 H new ATOM 850 N GLY A 57 -11.991 0.398 7.029 1.00 0.38 N ATOM 851 CA GLY A 57 -13.036 -0.594 7.143 1.00 0.41 C ATOM 852 C GLY A 57 -13.307 -1.303 5.836 1.00 0.39 C ATOM 853 O GLY A 57 -14.441 -1.304 5.344 1.00 0.51 O ATOM 0 H GLY A 57 -11.083 0.105 7.391 1.00 0.38 H new ATOM 0 HA2 GLY A 57 -12.755 -1.327 7.899 1.00 0.41 H new ATOM 0 HA3 GLY A 57 -13.952 -0.114 7.489 1.00 0.41 H new ATOM 857 N VAL A 58 -12.274 -1.877 5.257 1.00 0.34 N ATOM 858 CA VAL A 58 -12.396 -2.629 4.016 1.00 0.36 C ATOM 859 C VAL A 58 -11.690 -3.963 4.172 1.00 0.39 C ATOM 860 O VAL A 58 -11.045 -4.195 5.195 1.00 0.42 O ATOM 861 CB VAL A 58 -11.842 -1.879 2.753 1.00 0.36 C ATOM 862 CG1 VAL A 58 -12.560 -0.569 2.544 1.00 0.41 C ATOM 863 CG2 VAL A 58 -10.347 -1.628 2.859 1.00 0.34 C ATOM 0 H VAL A 58 -11.325 -1.838 5.629 1.00 0.34 H new ATOM 0 HA VAL A 58 -13.463 -2.765 3.838 1.00 0.36 H new ATOM 0 HB VAL A 58 -12.023 -2.527 1.895 1.00 0.36 H new ATOM 0 HG11 VAL A 58 -12.157 -0.070 1.663 1.00 0.41 H new ATOM 0 HG12 VAL A 58 -13.624 -0.756 2.400 1.00 0.41 H new ATOM 0 HG13 VAL A 58 -12.418 0.067 3.418 1.00 0.41 H new ATOM 0 HG21 VAL A 58 -10.001 -1.107 1.966 1.00 0.34 H new ATOM 0 HG22 VAL A 58 -10.142 -1.017 3.738 1.00 0.34 H new ATOM 0 HG23 VAL A 58 -9.824 -2.580 2.949 1.00 0.34 H new ATOM 873 N SER A 59 -11.775 -4.817 3.182 1.00 0.43 N ATOM 874 CA SER A 59 -11.125 -6.089 3.262 1.00 0.49 C ATOM 875 C SER A 59 -10.624 -6.506 1.878 1.00 0.45 C ATOM 876 O SER A 59 -11.404 -6.646 0.920 1.00 0.56 O ATOM 877 CB SER A 59 -12.077 -7.137 3.862 1.00 0.67 C ATOM 878 OG SER A 59 -11.392 -8.341 4.164 1.00 1.48 O ATOM 0 H SER A 59 -12.288 -4.650 2.316 1.00 0.43 H new ATOM 0 HA SER A 59 -10.261 -6.014 3.923 1.00 0.49 H new ATOM 0 HB2 SER A 59 -12.535 -6.739 4.768 1.00 0.67 H new ATOM 0 HB3 SER A 59 -12.885 -7.342 3.160 1.00 0.67 H new ATOM 0 HG SER A 59 -12.021 -8.988 4.545 1.00 1.48 H new ATOM 884 N ILE A 60 -9.336 -6.655 1.777 1.00 0.39 N ATOM 885 CA ILE A 60 -8.661 -7.053 0.566 1.00 0.43 C ATOM 886 C ILE A 60 -8.189 -8.497 0.737 1.00 0.35 C ATOM 887 O ILE A 60 -7.845 -8.893 1.843 1.00 0.42 O ATOM 888 CB ILE A 60 -7.441 -6.111 0.321 1.00 0.58 C ATOM 889 CG1 ILE A 60 -7.929 -4.669 0.127 1.00 0.75 C ATOM 890 CG2 ILE A 60 -6.590 -6.566 -0.863 1.00 0.71 C ATOM 891 CD1 ILE A 60 -6.821 -3.661 -0.036 1.00 1.01 C ATOM 0 H ILE A 60 -8.700 -6.499 2.559 1.00 0.39 H new ATOM 0 HA ILE A 60 -9.332 -6.983 -0.290 1.00 0.43 H new ATOM 0 HB ILE A 60 -6.800 -6.156 1.201 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -8.573 -4.630 -0.751 1.00 0.75 H new ATOM 0 HG13 ILE A 60 -8.540 -4.385 0.984 1.00 0.75 H new ATOM 0 HG21 ILE A 60 -5.753 -5.880 -0.995 1.00 0.71 H new ATOM 0 HG22 ILE A 60 -6.210 -7.570 -0.673 1.00 0.71 H new ATOM 0 HG23 ILE A 60 -7.199 -6.573 -1.767 1.00 0.71 H new ATOM 0 HD11 ILE A 60 -7.249 -2.667 -0.168 1.00 1.01 H new ATOM 0 HD12 ILE A 60 -6.189 -3.669 0.852 1.00 1.01 H new ATOM 0 HD13 ILE A 60 -6.222 -3.917 -0.910 1.00 1.01 H new ATOM 903 N PRO A 61 -8.265 -9.328 -0.313 1.00 0.43 N ATOM 904 CA PRO A 61 -7.786 -10.711 -0.259 1.00 0.50 C ATOM 905 C PRO A 61 -6.290 -10.795 0.022 1.00 0.46 C ATOM 906 O PRO A 61 -5.491 -9.993 -0.513 1.00 0.40 O ATOM 907 CB PRO A 61 -8.064 -11.242 -1.666 1.00 0.63 C ATOM 908 CG PRO A 61 -9.143 -10.372 -2.177 1.00 0.74 C ATOM 909 CD PRO A 61 -8.863 -9.018 -1.621 1.00 0.63 C ATOM 0 HA PRO A 61 -8.274 -11.271 0.539 1.00 0.50 H new ATOM 0 HB2 PRO A 61 -7.176 -11.186 -2.295 1.00 0.63 H new ATOM 0 HB3 PRO A 61 -8.373 -12.287 -1.643 1.00 0.63 H new ATOM 0 HG2 PRO A 61 -9.149 -10.355 -3.267 1.00 0.74 H new ATOM 0 HG3 PRO A 61 -10.121 -10.732 -1.858 1.00 0.74 H new ATOM 0 HD2 PRO A 61 -8.181 -8.452 -2.255 1.00 0.63 H new ATOM 0 HD3 PRO A 61 -9.772 -8.424 -1.521 1.00 0.63 H new ATOM 917 N ASP A 62 -5.927 -11.784 0.820 1.00 0.61 N ATOM 918 CA ASP A 62 -4.532 -12.085 1.199 1.00 0.72 C ATOM 919 C ASP A 62 -3.726 -12.343 -0.073 1.00 0.66 C ATOM 920 O ASP A 62 -2.596 -11.887 -0.232 1.00 0.67 O ATOM 921 CB ASP A 62 -4.554 -13.351 2.087 1.00 1.04 C ATOM 922 CG ASP A 62 -3.230 -13.748 2.718 1.00 1.22 C ATOM 923 OD1 ASP A 62 -2.920 -13.242 3.833 1.00 1.73 O ATOM 924 OD2 ASP A 62 -2.535 -14.645 2.187 1.00 1.74 O ATOM 0 H ASP A 62 -6.601 -12.424 1.240 1.00 0.61 H new ATOM 0 HA ASP A 62 -4.076 -11.258 1.743 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -5.282 -13.198 2.884 1.00 1.04 H new ATOM 0 HB3 ASP A 62 -4.911 -14.186 1.485 1.00 1.04 H new ATOM 929 N ASP A 63 -4.392 -13.015 -1.005 1.00 0.68 N ATOM 930 CA ASP A 63 -3.852 -13.384 -2.318 1.00 0.73 C ATOM 931 C ASP A 63 -3.499 -12.170 -3.177 1.00 0.63 C ATOM 932 O ASP A 63 -2.531 -12.194 -3.938 1.00 0.78 O ATOM 933 CB ASP A 63 -4.886 -14.252 -3.057 1.00 0.92 C ATOM 934 CG ASP A 63 -4.454 -14.682 -4.442 1.00 1.41 C ATOM 935 OD1 ASP A 63 -3.748 -15.700 -4.564 1.00 1.81 O ATOM 936 OD2 ASP A 63 -4.834 -14.023 -5.436 1.00 2.17 O ATOM 0 H ASP A 63 -5.352 -13.330 -0.868 1.00 0.68 H new ATOM 0 HA ASP A 63 -2.927 -13.935 -2.150 1.00 0.73 H new ATOM 0 HB2 ASP A 63 -5.092 -15.140 -2.460 1.00 0.92 H new ATOM 0 HB3 ASP A 63 -5.821 -13.697 -3.135 1.00 0.92 H new ATOM 941 N VAL A 64 -4.283 -11.125 -3.071 1.00 0.48 N ATOM 942 CA VAL A 64 -4.084 -9.964 -3.918 1.00 0.44 C ATOM 943 C VAL A 64 -3.097 -8.962 -3.301 1.00 0.38 C ATOM 944 O VAL A 64 -2.220 -8.441 -4.000 1.00 0.41 O ATOM 945 CB VAL A 64 -5.422 -9.267 -4.284 1.00 0.50 C ATOM 946 CG1 VAL A 64 -5.189 -8.141 -5.279 1.00 0.57 C ATOM 947 CG2 VAL A 64 -6.410 -10.269 -4.857 1.00 0.58 C ATOM 0 H VAL A 64 -5.060 -11.050 -2.414 1.00 0.48 H new ATOM 0 HA VAL A 64 -3.644 -10.336 -4.843 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.841 -8.845 -3.371 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -6.140 -7.667 -5.521 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -4.516 -7.403 -4.842 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -4.743 -8.545 -6.188 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -7.341 -9.760 -5.107 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.990 -10.720 -5.756 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -6.608 -11.047 -4.120 1.00 0.58 H new ATOM 957 N ALA A 65 -3.241 -8.700 -1.998 1.00 0.36 N ATOM 958 CA ALA A 65 -2.384 -7.731 -1.288 1.00 0.36 C ATOM 959 C ALA A 65 -0.926 -8.099 -1.421 1.00 0.38 C ATOM 960 O ALA A 65 -0.084 -7.254 -1.732 1.00 0.46 O ATOM 961 CB ALA A 65 -2.762 -7.657 0.173 1.00 0.42 C ATOM 0 H ALA A 65 -3.944 -9.144 -1.407 1.00 0.36 H new ATOM 0 HA ALA A 65 -2.539 -6.753 -1.745 1.00 0.36 H new ATOM 0 HB1 ALA A 65 -2.119 -6.937 0.679 1.00 0.42 H new ATOM 0 HB2 ALA A 65 -3.801 -7.342 0.264 1.00 0.42 H new ATOM 0 HB3 ALA A 65 -2.639 -8.638 0.631 1.00 0.42 H new ATOM 967 N GLY A 66 -0.636 -9.365 -1.254 1.00 0.39 N ATOM 968 CA GLY A 66 0.711 -9.820 -1.385 1.00 0.46 C ATOM 969 C GLY A 66 1.059 -10.188 -2.792 1.00 0.48 C ATOM 970 O GLY A 66 1.851 -11.098 -3.031 1.00 0.77 O ATOM 0 H GLY A 66 -1.317 -10.090 -1.028 1.00 0.39 H new ATOM 0 HA2 GLY A 66 1.389 -9.040 -1.039 1.00 0.46 H new ATOM 0 HA3 GLY A 66 0.863 -10.685 -0.739 1.00 0.46 H new ATOM 974 N ARG A 67 0.492 -9.496 -3.741 1.00 0.36 N ATOM 975 CA ARG A 67 0.797 -9.789 -5.092 1.00 0.41 C ATOM 976 C ARG A 67 0.899 -8.511 -5.927 1.00 0.37 C ATOM 977 O ARG A 67 0.906 -8.556 -7.154 1.00 0.47 O ATOM 978 CB ARG A 67 -0.241 -10.746 -5.657 1.00 0.55 C ATOM 979 CG ARG A 67 0.291 -11.673 -6.732 1.00 1.14 C ATOM 980 CD ARG A 67 1.235 -12.761 -6.173 1.00 1.95 C ATOM 981 NE ARG A 67 2.467 -12.224 -5.563 1.00 2.92 N ATOM 982 CZ ARG A 67 3.723 -12.556 -5.942 1.00 4.03 C ATOM 983 NH1 ARG A 67 3.920 -13.565 -6.788 1.00 4.35 N ATOM 984 NH2 ARG A 67 4.775 -11.914 -5.431 1.00 5.04 N ATOM 0 H ARG A 67 -0.174 -8.737 -3.596 1.00 0.36 H new ATOM 0 HA ARG A 67 1.772 -10.274 -5.135 1.00 0.41 H new ATOM 0 HB2 ARG A 67 -0.647 -11.347 -4.843 1.00 0.55 H new ATOM 0 HB3 ARG A 67 -1.068 -10.167 -6.068 1.00 0.55 H new ATOM 0 HG2 ARG A 67 -0.547 -12.151 -7.240 1.00 1.14 H new ATOM 0 HG3 ARG A 67 0.824 -11.086 -7.480 1.00 1.14 H new ATOM 0 HD2 ARG A 67 0.697 -13.347 -5.428 1.00 1.95 H new ATOM 0 HD3 ARG A 67 1.507 -13.442 -6.979 1.00 1.95 H new ATOM 0 HE ARG A 67 2.364 -11.554 -4.801 1.00 2.92 H new ATOM 0 HH11 ARG A 67 3.124 -14.089 -7.151 1.00 4.35 H new ATOM 0 HH12 ARG A 67 4.867 -13.814 -7.073 1.00 4.35 H new ATOM 0 HH21 ARG A 67 4.635 -11.168 -4.750 1.00 5.04 H new ATOM 0 HH22 ARG A 67 5.719 -12.170 -5.721 1.00 5.04 H new ATOM 998 N VAL A 68 0.995 -7.379 -5.267 1.00 0.37 N ATOM 999 CA VAL A 68 1.170 -6.123 -5.979 1.00 0.38 C ATOM 1000 C VAL A 68 2.664 -5.860 -6.190 1.00 0.42 C ATOM 1001 O VAL A 68 3.478 -6.096 -5.291 1.00 0.75 O ATOM 1002 CB VAL A 68 0.464 -4.921 -5.275 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -1.046 -5.106 -5.304 1.00 0.42 C ATOM 1004 CG2 VAL A 68 0.928 -4.759 -3.839 1.00 0.43 C ATOM 0 H VAL A 68 0.956 -7.296 -4.251 1.00 0.37 H new ATOM 0 HA VAL A 68 0.683 -6.217 -6.949 1.00 0.38 H new ATOM 0 HB VAL A 68 0.734 -4.018 -5.823 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.526 -4.261 -4.810 1.00 0.42 H new ATOM 0 HG12 VAL A 68 -1.386 -5.162 -6.338 1.00 0.42 H new ATOM 0 HG13 VAL A 68 -1.310 -6.027 -4.785 1.00 0.42 H new ATOM 0 HG21 VAL A 68 0.414 -3.912 -3.384 1.00 0.43 H new ATOM 0 HG22 VAL A 68 0.700 -5.666 -3.279 1.00 0.43 H new ATOM 0 HG23 VAL A 68 2.003 -4.582 -3.822 1.00 0.43 H new ATOM 1014 N ASP A 69 3.018 -5.442 -7.381 1.00 0.35 N ATOM 1015 CA ASP A 69 4.424 -5.242 -7.758 1.00 0.42 C ATOM 1016 C ASP A 69 4.791 -3.771 -7.687 1.00 0.33 C ATOM 1017 O ASP A 69 5.916 -3.399 -7.325 1.00 0.34 O ATOM 1018 CB ASP A 69 4.651 -5.793 -9.180 1.00 0.62 C ATOM 1019 CG ASP A 69 6.063 -5.619 -9.715 1.00 1.22 C ATOM 1020 OD1 ASP A 69 6.975 -6.360 -9.303 1.00 1.32 O ATOM 1021 OD2 ASP A 69 6.267 -4.782 -10.606 1.00 2.03 O ATOM 0 H ASP A 69 2.353 -5.227 -8.124 1.00 0.35 H new ATOM 0 HA ASP A 69 5.065 -5.779 -7.059 1.00 0.42 H new ATOM 0 HB2 ASP A 69 4.404 -6.855 -9.187 1.00 0.62 H new ATOM 0 HB3 ASP A 69 3.957 -5.300 -9.860 1.00 0.62 H new ATOM 1026 N THR A 70 3.827 -2.937 -7.981 1.00 0.30 N ATOM 1027 CA THR A 70 4.020 -1.503 -7.982 1.00 0.28 C ATOM 1028 C THR A 70 3.097 -0.822 -6.943 1.00 0.26 C ATOM 1029 O THR A 70 1.976 -1.303 -6.699 1.00 0.27 O ATOM 1030 CB THR A 70 3.723 -0.940 -9.396 1.00 0.34 C ATOM 1031 OG1 THR A 70 2.417 -1.363 -9.820 1.00 0.44 O ATOM 1032 CG2 THR A 70 4.743 -1.427 -10.408 1.00 0.35 C ATOM 0 H THR A 70 2.882 -3.230 -8.228 1.00 0.30 H new ATOM 0 HA THR A 70 5.055 -1.292 -7.713 1.00 0.28 H new ATOM 0 HB THR A 70 3.773 0.147 -9.340 1.00 0.34 H new ATOM 0 HG1 THR A 70 2.346 -2.337 -9.737 1.00 0.44 H new ATOM 0 HG21 THR A 70 4.507 -1.015 -11.389 1.00 0.35 H new ATOM 0 HG22 THR A 70 5.739 -1.101 -10.107 1.00 0.35 H new ATOM 0 HG23 THR A 70 4.717 -2.516 -10.456 1.00 0.35 H new ATOM 1040 N PRO A 71 3.556 0.288 -6.281 1.00 0.26 N ATOM 1041 CA PRO A 71 2.725 1.072 -5.338 1.00 0.26 C ATOM 1042 C PRO A 71 1.464 1.584 -6.018 1.00 0.24 C ATOM 1043 O PRO A 71 0.435 1.808 -5.370 1.00 0.25 O ATOM 1044 CB PRO A 71 3.631 2.243 -4.949 1.00 0.30 C ATOM 1045 CG PRO A 71 5.005 1.730 -5.165 1.00 0.32 C ATOM 1046 CD PRO A 71 4.918 0.826 -6.357 1.00 0.29 C ATOM 0 HA PRO A 71 2.391 0.483 -4.484 1.00 0.26 H new ATOM 0 HB2 PRO A 71 3.433 3.121 -5.564 1.00 0.30 H new ATOM 0 HB3 PRO A 71 3.475 2.539 -3.912 1.00 0.30 H new ATOM 0 HG2 PRO A 71 5.704 2.547 -5.343 1.00 0.32 H new ATOM 0 HG3 PRO A 71 5.363 1.189 -4.289 1.00 0.32 H new ATOM 0 HD2 PRO A 71 5.083 1.371 -7.287 1.00 0.29 H new ATOM 0 HD3 PRO A 71 5.665 0.034 -6.315 1.00 0.29 H new ATOM 1054 N ARG A 72 1.570 1.762 -7.331 1.00 0.24 N ATOM 1055 CA ARG A 72 0.445 2.116 -8.193 1.00 0.27 C ATOM 1056 C ARG A 72 -0.716 1.138 -7.959 1.00 0.23 C ATOM 1057 O ARG A 72 -1.844 1.549 -7.671 1.00 0.27 O ATOM 1058 CB ARG A 72 0.899 2.048 -9.659 1.00 0.36 C ATOM 1059 CG ARG A 72 -0.164 2.384 -10.687 1.00 0.53 C ATOM 1060 CD ARG A 72 0.387 2.259 -12.103 1.00 0.72 C ATOM 1061 NE ARG A 72 1.449 3.240 -12.378 1.00 0.79 N ATOM 1062 CZ ARG A 72 2.682 2.954 -12.840 1.00 1.57 C ATOM 1063 NH1 ARG A 72 3.073 1.689 -13.007 1.00 2.55 N ATOM 1064 NH2 ARG A 72 3.521 3.941 -13.125 1.00 1.67 N ATOM 0 H ARG A 72 2.452 1.663 -7.834 1.00 0.24 H new ATOM 0 HA ARG A 72 0.106 3.126 -7.961 1.00 0.27 H new ATOM 0 HB2 ARG A 72 1.738 2.730 -9.793 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.270 1.043 -9.860 1.00 0.36 H new ATOM 0 HG2 ARG A 72 -1.017 1.717 -10.565 1.00 0.53 H new ATOM 0 HG3 ARG A 72 -0.527 3.399 -10.522 1.00 0.53 H new ATOM 0 HD2 ARG A 72 0.778 1.252 -12.251 1.00 0.72 H new ATOM 0 HD3 ARG A 72 -0.424 2.394 -12.819 1.00 0.72 H new ATOM 0 HE ARG A 72 1.233 4.222 -12.204 1.00 0.79 H new ATOM 0 HH11 ARG A 72 2.436 0.925 -12.784 1.00 2.55 H new ATOM 0 HH12 ARG A 72 4.009 1.487 -13.358 1.00 2.55 H new ATOM 0 HH21 ARG A 72 3.232 4.910 -12.994 1.00 1.67 H new ATOM 0 HH22 ARG A 72 4.456 3.731 -13.475 1.00 1.67 H new ATOM 1078 N GLU A 73 -0.402 -0.153 -8.016 1.00 0.21 N ATOM 1079 CA GLU A 73 -1.382 -1.212 -7.826 1.00 0.24 C ATOM 1080 C GLU A 73 -1.914 -1.219 -6.423 1.00 0.21 C ATOM 1081 O GLU A 73 -3.087 -1.454 -6.220 1.00 0.24 O ATOM 1082 CB GLU A 73 -0.769 -2.557 -8.084 1.00 0.32 C ATOM 1083 CG GLU A 73 -0.299 -2.773 -9.476 1.00 0.44 C ATOM 1084 CD GLU A 73 0.425 -4.060 -9.583 1.00 1.27 C ATOM 1085 OE1 GLU A 73 1.656 -4.070 -9.370 1.00 2.08 O ATOM 1086 OE2 GLU A 73 -0.217 -5.091 -9.865 1.00 1.49 O ATOM 0 H GLU A 73 0.543 -0.493 -8.196 1.00 0.21 H new ATOM 0 HA GLU A 73 -2.192 -1.019 -8.530 1.00 0.24 H new ATOM 0 HB2 GLU A 73 0.074 -2.692 -7.406 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -1.501 -3.327 -7.840 1.00 0.32 H new ATOM 0 HG2 GLU A 73 -1.149 -2.769 -10.158 1.00 0.44 H new ATOM 0 HG3 GLU A 73 0.355 -1.955 -9.777 1.00 0.44 H new ATOM 1093 N LEU A 74 -1.036 -0.977 -5.459 1.00 0.19 N ATOM 1094 CA LEU A 74 -1.409 -0.986 -4.047 1.00 0.21 C ATOM 1095 C LEU A 74 -2.452 0.112 -3.791 1.00 0.19 C ATOM 1096 O LEU A 74 -3.480 -0.128 -3.139 1.00 0.20 O ATOM 1097 CB LEU A 74 -0.131 -0.828 -3.165 1.00 0.25 C ATOM 1098 CG LEU A 74 -0.231 -1.102 -1.633 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -1.007 -0.026 -0.885 1.00 1.07 C ATOM 1100 CD2 LEU A 74 -0.837 -2.476 -1.367 1.00 0.88 C ATOM 0 H LEU A 74 -0.052 -0.770 -5.629 1.00 0.19 H new ATOM 0 HA LEU A 74 -1.866 -1.937 -3.775 1.00 0.21 H new ATOM 0 HB2 LEU A 74 0.632 -1.493 -3.569 1.00 0.25 H new ATOM 0 HB3 LEU A 74 0.234 0.191 -3.294 1.00 0.25 H new ATOM 0 HG LEU A 74 0.789 -1.079 -1.250 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -1.042 -0.273 0.176 1.00 1.07 H new ATOM 0 HD12 LEU A 74 -0.513 0.937 -1.017 1.00 1.07 H new ATOM 0 HD13 LEU A 74 -2.022 0.030 -1.278 1.00 1.07 H new ATOM 0 HD21 LEU A 74 -0.897 -2.645 -0.292 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -1.837 -2.522 -1.798 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -0.211 -3.244 -1.821 1.00 0.88 H new ATOM 1112 N LEU A 75 -2.209 1.292 -4.353 1.00 0.19 N ATOM 1113 CA LEU A 75 -3.142 2.397 -4.240 1.00 0.21 C ATOM 1114 C LEU A 75 -4.452 2.025 -4.914 1.00 0.20 C ATOM 1115 O LEU A 75 -5.518 2.094 -4.294 1.00 0.24 O ATOM 1116 CB LEU A 75 -2.572 3.668 -4.880 1.00 0.24 C ATOM 1117 CG LEU A 75 -3.457 4.920 -4.786 1.00 0.29 C ATOM 1118 CD1 LEU A 75 -3.703 5.301 -3.337 1.00 0.32 C ATOM 1119 CD2 LEU A 75 -2.834 6.080 -5.540 1.00 0.37 C ATOM 0 H LEU A 75 -1.369 1.503 -4.892 1.00 0.19 H new ATOM 0 HA LEU A 75 -3.314 2.597 -3.182 1.00 0.21 H new ATOM 0 HB2 LEU A 75 -1.613 3.889 -4.412 1.00 0.24 H new ATOM 0 HB3 LEU A 75 -2.374 3.465 -5.932 1.00 0.24 H new ATOM 0 HG LEU A 75 -4.417 4.687 -5.247 1.00 0.29 H new ATOM 0 HD11 LEU A 75 -4.332 6.190 -3.296 1.00 0.32 H new ATOM 0 HD12 LEU A 75 -4.203 4.479 -2.825 1.00 0.32 H new ATOM 0 HD13 LEU A 75 -2.751 5.508 -2.848 1.00 0.32 H new ATOM 0 HD21 LEU A 75 -3.479 6.955 -5.459 1.00 0.37 H new ATOM 0 HD22 LEU A 75 -1.857 6.308 -5.114 1.00 0.37 H new ATOM 0 HD23 LEU A 75 -2.718 5.811 -6.590 1.00 0.37 H new ATOM 1131 N ASP A 76 -4.348 1.582 -6.164 1.00 0.21 N ATOM 1132 CA ASP A 76 -5.502 1.165 -6.976 1.00 0.25 C ATOM 1133 C ASP A 76 -6.326 0.098 -6.259 1.00 0.23 C ATOM 1134 O ASP A 76 -7.551 0.165 -6.224 1.00 0.25 O ATOM 1135 CB ASP A 76 -5.025 0.634 -8.339 1.00 0.34 C ATOM 1136 CG ASP A 76 -6.148 0.079 -9.195 1.00 0.65 C ATOM 1137 OD1 ASP A 76 -6.801 0.864 -9.924 1.00 0.72 O ATOM 1138 OD2 ASP A 76 -6.406 -1.146 -9.154 1.00 1.07 O ATOM 0 H ASP A 76 -3.456 1.499 -6.652 1.00 0.21 H new ATOM 0 HA ASP A 76 -6.138 2.037 -7.131 1.00 0.25 H new ATOM 0 HB2 ASP A 76 -4.529 1.439 -8.881 1.00 0.34 H new ATOM 0 HB3 ASP A 76 -4.282 -0.147 -8.177 1.00 0.34 H new ATOM 1143 N LEU A 77 -5.640 -0.846 -5.660 1.00 0.21 N ATOM 1144 CA LEU A 77 -6.248 -1.946 -4.936 1.00 0.23 C ATOM 1145 C LEU A 77 -7.096 -1.448 -3.773 1.00 0.26 C ATOM 1146 O LEU A 77 -8.277 -1.798 -3.664 1.00 0.31 O ATOM 1147 CB LEU A 77 -5.162 -2.907 -4.442 1.00 0.23 C ATOM 1148 CG LEU A 77 -5.621 -4.115 -3.635 1.00 0.30 C ATOM 1149 CD1 LEU A 77 -6.589 -4.969 -4.440 1.00 0.37 C ATOM 1150 CD2 LEU A 77 -4.413 -4.931 -3.200 1.00 0.32 C ATOM 0 H LEU A 77 -4.620 -0.875 -5.660 1.00 0.21 H new ATOM 0 HA LEU A 77 -6.912 -2.478 -5.618 1.00 0.23 H new ATOM 0 HB2 LEU A 77 -4.610 -3.269 -5.310 1.00 0.23 H new ATOM 0 HB3 LEU A 77 -4.460 -2.339 -3.832 1.00 0.23 H new ATOM 0 HG LEU A 77 -6.148 -3.765 -2.747 1.00 0.30 H new ATOM 0 HD11 LEU A 77 -6.902 -5.825 -3.843 1.00 0.37 H new ATOM 0 HD12 LEU A 77 -7.462 -4.374 -4.708 1.00 0.37 H new ATOM 0 HD13 LEU A 77 -6.097 -5.320 -5.347 1.00 0.37 H new ATOM 0 HD21 LEU A 77 -4.745 -5.794 -2.623 1.00 0.32 H new ATOM 0 HD22 LEU A 77 -3.868 -5.271 -4.080 1.00 0.32 H new ATOM 0 HD23 LEU A 77 -3.759 -4.313 -2.584 1.00 0.32 H new ATOM 1162 N ILE A 78 -6.524 -0.608 -2.927 1.00 0.26 N ATOM 1163 CA ILE A 78 -7.273 -0.112 -1.797 1.00 0.29 C ATOM 1164 C ILE A 78 -8.349 0.870 -2.256 1.00 0.29 C ATOM 1165 O ILE A 78 -9.439 0.889 -1.711 1.00 0.37 O ATOM 1166 CB ILE A 78 -6.381 0.489 -0.678 1.00 0.31 C ATOM 1167 CG1 ILE A 78 -5.323 -0.547 -0.265 1.00 0.31 C ATOM 1168 CG2 ILE A 78 -7.239 0.884 0.533 1.00 0.35 C ATOM 1169 CD1 ILE A 78 -4.469 -0.143 0.910 1.00 0.34 C ATOM 0 H ILE A 78 -5.566 -0.265 -3.001 1.00 0.26 H new ATOM 0 HA ILE A 78 -7.761 -0.974 -1.342 1.00 0.29 H new ATOM 0 HB ILE A 78 -5.885 1.385 -1.053 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -5.826 -1.484 -0.026 1.00 0.31 H new ATOM 0 HG13 ILE A 78 -4.674 -0.743 -1.118 1.00 0.31 H new ATOM 0 HG21 ILE A 78 -6.600 1.304 1.310 1.00 0.35 H new ATOM 0 HG22 ILE A 78 -7.977 1.626 0.229 1.00 0.35 H new ATOM 0 HG23 ILE A 78 -7.750 0.002 0.920 1.00 0.35 H new ATOM 0 HD11 ILE A 78 -3.753 -0.935 1.128 1.00 0.34 H new ATOM 0 HD12 ILE A 78 -3.933 0.776 0.671 1.00 0.34 H new ATOM 0 HD13 ILE A 78 -5.103 0.023 1.781 1.00 0.34 H new ATOM 1181 N ASN A 79 -8.062 1.630 -3.319 1.00 0.27 N ATOM 1182 CA ASN A 79 -9.068 2.541 -3.898 1.00 0.32 C ATOM 1183 C ASN A 79 -10.248 1.749 -4.392 1.00 0.31 C ATOM 1184 O ASN A 79 -11.385 2.135 -4.196 1.00 0.37 O ATOM 1185 CB ASN A 79 -8.516 3.403 -5.057 1.00 0.44 C ATOM 1186 CG ASN A 79 -7.686 4.610 -4.629 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -6.969 4.513 -3.542 1.00 1.53 O flip ATOM 1188 ND2 ASN A 79 -7.686 5.625 -5.293 1.00 0.89 N flip ATOM 0 H ASN A 79 -7.159 1.637 -3.792 1.00 0.27 H new ATOM 0 HA ASN A 79 -9.364 3.223 -3.101 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -7.904 2.770 -5.700 1.00 0.44 H new ATOM 0 HB3 ASN A 79 -9.354 3.753 -5.659 1.00 0.44 H new ATOM 0 HD21 ASN A 79 -8.253 5.681 -6.139 1.00 0.89 H new ATOM 0 HD22 ASN A 79 -7.119 6.423 -5.005 1.00 0.89 H new ATOM 1195 N GLY A 80 -9.957 0.608 -4.985 1.00 0.32 N ATOM 1196 CA GLY A 80 -10.982 -0.273 -5.483 1.00 0.39 C ATOM 1197 C GLY A 80 -11.862 -0.791 -4.370 1.00 0.42 C ATOM 1198 O GLY A 80 -13.088 -0.799 -4.496 1.00 0.47 O ATOM 0 H GLY A 80 -9.006 0.271 -5.132 1.00 0.32 H new ATOM 0 HA2 GLY A 80 -11.593 0.256 -6.214 1.00 0.39 H new ATOM 0 HA3 GLY A 80 -10.520 -1.113 -6.002 1.00 0.39 H new ATOM 1202 N ALA A 81 -11.242 -1.194 -3.275 1.00 0.44 N ATOM 1203 CA ALA A 81 -11.964 -1.683 -2.107 1.00 0.51 C ATOM 1204 C ALA A 81 -12.796 -0.562 -1.471 1.00 0.52 C ATOM 1205 O ALA A 81 -13.879 -0.803 -0.945 1.00 0.65 O ATOM 1206 CB ALA A 81 -10.994 -2.278 -1.094 1.00 0.56 C ATOM 0 H ALA A 81 -10.228 -1.193 -3.167 1.00 0.44 H new ATOM 0 HA ALA A 81 -12.649 -2.467 -2.430 1.00 0.51 H new ATOM 0 HB1 ALA A 81 -11.549 -2.639 -0.228 1.00 0.56 H new ATOM 0 HB2 ALA A 81 -10.455 -3.108 -1.551 1.00 0.56 H new ATOM 0 HB3 ALA A 81 -10.284 -1.514 -0.778 1.00 0.56 H new ATOM 1212 N LEU A 82 -12.278 0.656 -1.541 1.00 0.46 N ATOM 1213 CA LEU A 82 -12.957 1.845 -1.026 1.00 0.54 C ATOM 1214 C LEU A 82 -14.114 2.258 -1.930 1.00 0.62 C ATOM 1215 O LEU A 82 -15.127 2.772 -1.465 1.00 0.84 O ATOM 1216 CB LEU A 82 -11.962 2.993 -0.866 1.00 0.55 C ATOM 1217 CG LEU A 82 -10.900 2.790 0.212 1.00 0.58 C ATOM 1218 CD1 LEU A 82 -9.847 3.870 0.136 1.00 1.24 C ATOM 1219 CD2 LEU A 82 -11.543 2.788 1.582 1.00 1.03 C ATOM 0 H LEU A 82 -11.369 0.852 -1.959 1.00 0.46 H new ATOM 0 HA LEU A 82 -13.372 1.601 -0.048 1.00 0.54 H new ATOM 0 HB2 LEU A 82 -11.461 3.154 -1.821 1.00 0.55 H new ATOM 0 HB3 LEU A 82 -12.516 3.904 -0.640 1.00 0.55 H new ATOM 0 HG LEU A 82 -10.419 1.827 0.043 1.00 0.58 H new ATOM 0 HD11 LEU A 82 -9.101 3.706 0.913 1.00 1.24 H new ATOM 0 HD12 LEU A 82 -9.366 3.841 -0.842 1.00 1.24 H new ATOM 0 HD13 LEU A 82 -10.314 4.844 0.282 1.00 1.24 H new ATOM 0 HD21 LEU A 82 -10.777 2.643 2.343 1.00 1.03 H new ATOM 0 HD22 LEU A 82 -12.045 3.741 1.750 1.00 1.03 H new ATOM 0 HD23 LEU A 82 -12.271 1.979 1.641 1.00 1.03 H new ATOM 1231 N ALA A 83 -13.961 2.027 -3.218 1.00 0.53 N ATOM 1232 CA ALA A 83 -15.016 2.298 -4.180 1.00 0.66 C ATOM 1233 C ALA A 83 -16.151 1.301 -3.995 1.00 0.86 C ATOM 1234 O ALA A 83 -17.324 1.614 -4.219 1.00 1.05 O ATOM 1235 CB ALA A 83 -14.474 2.236 -5.601 1.00 0.64 C ATOM 0 H ALA A 83 -13.107 1.648 -3.628 1.00 0.53 H new ATOM 0 HA ALA A 83 -15.399 3.304 -4.009 1.00 0.66 H new ATOM 0 HB1 ALA A 83 -15.279 2.442 -6.307 1.00 0.64 H new ATOM 0 HB2 ALA A 83 -13.686 2.979 -5.723 1.00 0.64 H new ATOM 0 HB3 ALA A 83 -14.068 1.243 -5.793 1.00 0.64 H new ATOM 1241 N GLU A 84 -15.798 0.102 -3.570 1.00 0.92 N ATOM 1242 CA GLU A 84 -16.780 -0.937 -3.298 1.00 1.18 C ATOM 1243 C GLU A 84 -17.231 -0.909 -1.841 1.00 1.28 C ATOM 1244 O GLU A 84 -17.992 -1.766 -1.398 1.00 1.63 O ATOM 1245 CB GLU A 84 -16.242 -2.321 -3.650 1.00 1.30 C ATOM 1246 CG GLU A 84 -15.966 -2.530 -5.127 1.00 1.61 C ATOM 1247 CD GLU A 84 -15.668 -3.967 -5.441 1.00 2.08 C ATOM 1248 OE1 GLU A 84 -16.562 -4.810 -5.249 1.00 2.42 O ATOM 1249 OE2 GLU A 84 -14.560 -4.288 -5.908 1.00 2.66 O ATOM 0 H GLU A 84 -14.832 -0.180 -3.404 1.00 0.92 H new ATOM 0 HA GLU A 84 -17.643 -0.731 -3.932 1.00 1.18 H new ATOM 0 HB2 GLU A 84 -15.321 -2.492 -3.093 1.00 1.30 H new ATOM 0 HB3 GLU A 84 -16.959 -3.071 -3.317 1.00 1.30 H new ATOM 0 HG2 GLU A 84 -16.828 -2.202 -5.708 1.00 1.61 H new ATOM 0 HG3 GLU A 84 -15.123 -1.909 -5.431 1.00 1.61 H new ATOM 1256 N ALA A 85 -16.770 0.073 -1.107 1.00 1.13 N ATOM 1257 CA ALA A 85 -17.127 0.214 0.283 1.00 1.33 C ATOM 1258 C ALA A 85 -18.420 0.983 0.399 1.00 1.71 C ATOM 1259 O ALA A 85 -18.840 1.661 -0.557 1.00 2.30 O ATOM 1260 CB ALA A 85 -16.021 0.921 1.053 1.00 1.30 C ATOM 0 H ALA A 85 -16.139 0.795 -1.454 1.00 1.13 H new ATOM 0 HA ALA A 85 -17.260 -0.778 0.714 1.00 1.33 H new ATOM 0 HB1 ALA A 85 -16.310 1.017 2.099 1.00 1.30 H new ATOM 0 HB2 ALA A 85 -15.101 0.341 0.983 1.00 1.30 H new ATOM 0 HB3 ALA A 85 -15.859 1.912 0.629 1.00 1.30 H new ATOM 1266 N ALA A 86 -19.059 0.875 1.527 1.00 2.12 N ATOM 1267 CA ALA A 86 -20.279 1.586 1.753 1.00 2.78 C ATOM 1268 C ALA A 86 -19.938 2.920 2.371 1.00 3.16 C ATOM 1269 O ALA A 86 -19.643 3.869 1.626 1.00 3.59 O ATOM 1270 CB ALA A 86 -21.205 0.781 2.652 1.00 3.57 C ATOM 1271 OXT ALA A 86 -19.876 3.015 3.609 1.00 3.56 O ATOM 0 H ALA A 86 -18.751 0.297 2.309 1.00 2.12 H new ATOM 0 HA ALA A 86 -20.805 1.745 0.811 1.00 2.78 H new ATOM 0 HB1 ALA A 86 -22.129 1.337 2.814 1.00 3.57 H new ATOM 0 HB2 ALA A 86 -21.434 -0.173 2.177 1.00 3.57 H new ATOM 0 HB3 ALA A 86 -20.717 0.602 3.610 1.00 3.57 H new TER 1277 ALA A 86 HETATM 1278 P24 SXD A 87 5.357 -12.274 -0.061 1.00 0.90 P HETATM 1279 O26 SXD A 87 5.856 -11.763 1.314 1.00 1.54 O HETATM 1280 O23 SXD A 87 6.142 -13.422 -0.767 1.00 1.52 O HETATM 1281 O27 SXD A 87 3.897 -12.676 0.023 1.00 1.03 O HETATM 1282 C28 SXD A 87 3.460 -13.757 0.880 1.00 0.94 C HETATM 1283 C29 SXD A 87 1.957 -14.022 0.639 1.00 1.31 C HETATM 1284 C30 SXD A 87 1.534 -15.007 1.694 1.00 1.48 C HETATM 1285 C31 SXD A 87 1.160 -12.720 0.809 1.00 1.80 C HETATM 1286 C32 SXD A 87 1.724 -14.617 -0.848 1.00 2.11 C HETATM 1287 O33 SXD A 87 2.366 -13.815 -1.840 1.00 2.59 O HETATM 1288 C34 SXD A 87 0.238 -14.699 -1.244 1.00 2.68 C HETATM 1289 O35 SXD A 87 -0.151 -14.088 -2.257 1.00 3.26 O HETATM 1290 N36 SXD A 87 -0.567 -15.416 -0.493 1.00 2.90 N HETATM 1291 C37 SXD A 87 -1.995 -15.577 -0.742 1.00 3.68 C HETATM 1292 C38 SXD A 87 -2.411 -17.024 -0.965 1.00 4.14 C HETATM 1293 C39 SXD A 87 -2.292 -17.927 0.261 1.00 4.26 C HETATM 1294 O40 SXD A 87 -2.186 -19.157 0.124 1.00 4.93 O HETATM 1295 N41 SXD A 87 -2.291 -17.329 1.451 1.00 4.07 N HETATM 1296 C42 SXD A 87 -2.167 -18.060 2.711 1.00 4.66 C HETATM 1297 C43 SXD A 87 -3.179 -17.620 3.751 1.00 4.86 C HETATM 1298 S1 SXD A 87 -3.030 -18.568 5.284 1.00 5.53 S HETATM 1299 C1 SXD A 87 -4.337 -17.821 6.291 1.00 6.36 C HETATM 1300 C2 SXD A 87 -4.384 -18.373 7.704 1.00 6.96 C HETATM 1301 C3 SXD A 87 -5.429 -17.696 8.578 1.00 7.66 C HETATM 1302 O3 SXD A 87 -6.645 -17.773 8.308 1.00 8.05 O HETATM 1303 C4 SXD A 87 -4.939 -16.933 9.798 1.00 8.24 C HETATM 1304 C5 SXD A 87 -5.261 -15.448 9.808 1.00 8.87 C HETATM 1305 O5 SXD A 87 -4.367 -14.598 9.655 1.00 9.15 O HETATM 1306 C6 SXD A 87 -6.703 -15.029 10.037 1.00 9.45 C HETATM 0 HO33 SXD A 87 2.919 -13.134 -1.403 1.00 2.59 H new HETATM 0 HN41 SXD A 87 -2.381 -16.314 1.485 1.00 4.07 H new HETATM 0 HN36 SXD A 87 -0.167 -15.891 0.317 1.00 2.90 H new HETATM 0 H43A SXD A 87 -3.041 -16.560 3.965 1.00 4.86 H new HETATM 0 H42A SXD A 87 -2.290 -19.126 2.520 1.00 4.66 H new HETATM 0 H38A SXD A 87 -3.445 -17.040 -1.310 1.00 4.14 H new HETATM 0 H37A SXD A 87 -2.551 -15.173 0.104 1.00 3.68 H new HETATM 0 H31B SXD A 87 1.299 -12.338 1.820 1.00 1.80 H new HETATM 0 H31A SXD A 87 1.513 -11.981 0.090 1.00 1.80 H new HETATM 0 H30B SXD A 87 2.116 -15.923 1.591 1.00 1.48 H new HETATM 0 H30A SXD A 87 1.704 -14.578 2.681 1.00 1.48 H new HETATM 0 H28A SXD A 87 4.038 -14.658 0.673 1.00 0.94 H new HETATM 0 H6B SXD A 87 -7.333 -15.448 9.252 1.00 9.45 H new HETATM 0 H6A SXD A 87 -7.039 -15.396 11.007 1.00 9.45 H new HETATM 0 H6 SXD A 87 -6.773 -13.941 10.017 1.00 9.45 H new HETATM 0 H4A SXD A 87 -5.372 -17.388 10.689 1.00 8.24 H new HETATM 0 H43 SXD A 87 -4.186 -17.736 3.349 1.00 4.86 H new HETATM 0 H42 SXD A 87 -1.162 -17.921 3.108 1.00 4.66 H new HETATM 0 H4 SXD A 87 -3.858 -17.054 9.872 1.00 8.24 H new HETATM 0 H38 SXD A 87 -1.801 -17.442 -1.766 1.00 4.14 H new HETATM 0 H37 SXD A 87 -2.272 -14.988 -1.616 1.00 3.68 H new HETATM 0 H32 SXD A 87 2.149 -15.620 -0.810 1.00 2.11 H new HETATM 0 H31 SXD A 87 0.102 -12.916 0.637 1.00 1.80 H new HETATM 0 H30 SXD A 87 0.475 -15.235 1.575 1.00 1.48 H new HETATM 0 H2A SXD A 87 -4.592 -19.442 7.663 1.00 6.96 H new HETATM 0 H28 SXD A 87 3.633 -13.501 1.925 1.00 0.94 H new HETATM 0 H2 SXD A 87 -3.403 -18.257 8.165 1.00 6.96 H new HETATM 0 H1A SXD A 87 -4.185 -16.743 6.333 1.00 6.36 H new HETATM 0 H1 SXD A 87 -5.300 -17.988 5.809 1.00 6.36 H new