USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 415 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 912 SER OG : rot 180:sc= 0 USER MOD Single : A 913 SER OG : rot 180:sc= 0 USER MOD Single : A 916 GLN : amide:sc= -0.346 K(o=-0.35,f=-2.1) USER MOD Single : A 917 THR OG1 : rot 180:sc= 0 USER MOD Single : A 921 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 923 HIS :FLIP no HD1:sc= -0.375 F(o=-1,f=-0.37) USER MOD Single : A 927 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 930 CYS SG : rot 180:sc= 0 USER MOD Single : A 933 GLN : amide:sc= 0 X(o=0,f=-0.00017) USER MOD Single : A 935 ASN : amide:sc= -5.51! C(o=-5.5!,f=-7.5!) USER MOD Single : A 940 LYS NZ :NH3+ -143:sc= -0.194 (180deg=-1.37) USER MOD Single : A 941 LYS NZ :NH3+ 133:sc= 0.146 (180deg=-0.289) USER MOD Single : A 942 HIS : no HE2:sc= -5.11! C(o=-5.1!,f=-7.5!) USER MOD Single : A 943 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 944 TYR OH : rot 180:sc= 0 USER MOD Single : A 945 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.2) USER MOD Single : A 948 GLN : amide:sc= -0.0933 X(o=-0.093,f=-0.21) USER MOD Single : A 951 THR OG1 : rot 87:sc= 0.704 USER MOD Single : A 955 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 957 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.16) USER MOD Single : A 958 ASN : amide:sc= -0.357 K(o=-0.36,f=-2.9!) USER MOD Single : A 959 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 908 0.276 -1.118 -2.029 1.00 53.53 N ATOM 2 CA GLY A 908 -0.816 -1.090 -2.985 1.00 34.23 C ATOM 3 C GLY A 908 -0.458 -1.765 -4.294 1.00 35.53 C ATOM 4 O GLY A 908 0.707 -2.049 -4.573 1.00 12.44 O ATOM 0 HA2 GLY A 908 -1.687 -1.583 -2.552 1.00 34.23 H new ATOM 0 HA3 GLY A 908 -1.099 -0.055 -3.179 1.00 34.23 H new ATOM 8 N PRO A 909 -1.478 -2.036 -5.123 1.00 2.43 N ATOM 9 CA PRO A 909 -1.290 -2.686 -6.423 1.00 23.43 C ATOM 10 C PRO A 909 -0.584 -1.782 -7.427 1.00 50.21 C ATOM 11 O PRO A 909 0.335 -2.211 -8.126 1.00 40.10 O ATOM 12 CB PRO A 909 -2.720 -2.982 -6.882 1.00 3.14 C ATOM 13 CG PRO A 909 -3.559 -1.971 -6.180 1.00 53.43 C ATOM 14 CD PRO A 909 -2.892 -1.726 -4.855 1.00 33.10 C ATOM 0 HA PRO A 909 -0.660 -3.572 -6.348 1.00 23.43 H new ATOM 0 HB2 PRO A 909 -2.815 -2.893 -7.964 1.00 3.14 H new ATOM 0 HB3 PRO A 909 -3.019 -3.997 -6.618 1.00 3.14 H new ATOM 0 HG2 PRO A 909 -3.626 -1.050 -6.759 1.00 53.43 H new ATOM 0 HG3 PRO A 909 -4.577 -2.336 -6.043 1.00 53.43 H new ATOM 0 HD2 PRO A 909 -3.022 -0.696 -4.524 1.00 33.10 H new ATOM 0 HD3 PRO A 909 -3.303 -2.366 -4.074 1.00 33.10 H new ATOM 22 N LEU A 910 -1.019 -0.528 -7.494 1.00 64.34 N ATOM 23 CA LEU A 910 -0.428 0.438 -8.414 1.00 3.12 C ATOM 24 C LEU A 910 0.779 1.124 -7.781 1.00 61.13 C ATOM 25 O LEU A 910 0.645 1.869 -6.812 1.00 11.23 O ATOM 26 CB LEU A 910 -1.467 1.484 -8.823 1.00 24.32 C ATOM 27 CG LEU A 910 -1.169 2.259 -10.107 1.00 2.25 C ATOM 28 CD1 LEU A 910 -2.455 2.790 -10.720 1.00 72.54 C ATOM 29 CD2 LEU A 910 -0.199 3.399 -9.829 1.00 31.44 C ATOM 0 H LEU A 910 -1.778 -0.157 -6.923 1.00 64.34 H new ATOM 0 HA LEU A 910 -0.094 -0.099 -9.301 1.00 3.12 H new ATOM 0 HB2 LEU A 910 -2.429 0.985 -8.938 1.00 24.32 H new ATOM 0 HB3 LEU A 910 -1.574 2.199 -8.007 1.00 24.32 H new ATOM 0 HG LEU A 910 -0.704 1.578 -10.820 1.00 2.25 H new ATOM 0 HD11 LEU A 910 -2.223 3.339 -11.633 1.00 72.54 H new ATOM 0 HD12 LEU A 910 -3.117 1.957 -10.956 1.00 72.54 H new ATOM 0 HD13 LEU A 910 -2.948 3.456 -10.012 1.00 72.54 H new ATOM 0 HD21 LEU A 910 0.002 3.940 -10.754 1.00 31.44 H new ATOM 0 HD22 LEU A 910 -0.637 4.079 -9.099 1.00 31.44 H new ATOM 0 HD23 LEU A 910 0.734 2.995 -9.435 1.00 31.44 H new ATOM 41 N GLY A 911 1.959 0.868 -8.339 1.00 73.01 N ATOM 42 CA GLY A 911 3.172 1.470 -7.818 1.00 31.11 C ATOM 43 C GLY A 911 4.047 2.051 -8.911 1.00 31.30 C ATOM 44 O GLY A 911 4.114 3.268 -9.081 1.00 0.04 O ATOM 0 H GLY A 911 2.096 0.255 -9.142 1.00 73.01 H new ATOM 0 HA2 GLY A 911 2.909 2.257 -7.111 1.00 31.11 H new ATOM 0 HA3 GLY A 911 3.737 0.720 -7.265 1.00 31.11 H new ATOM 48 N SER A 912 4.721 1.178 -9.654 1.00 14.23 N ATOM 49 CA SER A 912 5.600 1.612 -10.733 1.00 24.32 C ATOM 50 C SER A 912 4.806 2.301 -11.838 1.00 12.01 C ATOM 51 O SER A 912 3.580 2.391 -11.772 1.00 51.23 O ATOM 52 CB SER A 912 6.364 0.417 -11.307 1.00 44.34 C ATOM 53 OG SER A 912 7.607 0.822 -11.855 1.00 2.32 O ATOM 0 H SER A 912 4.675 0.167 -9.528 1.00 14.23 H new ATOM 0 HA SER A 912 6.312 2.328 -10.323 1.00 24.32 H new ATOM 0 HB2 SER A 912 6.532 -0.322 -10.523 1.00 44.34 H new ATOM 0 HB3 SER A 912 5.763 -0.067 -12.078 1.00 44.34 H new ATOM 0 HG SER A 912 8.077 0.040 -12.214 1.00 2.32 H new ATOM 59 N SER A 913 5.514 2.786 -12.853 1.00 11.02 N ATOM 60 CA SER A 913 4.876 3.471 -13.971 1.00 65.03 C ATOM 61 C SER A 913 5.225 2.793 -15.293 1.00 55.10 C ATOM 62 O SER A 913 6.363 2.379 -15.509 1.00 10.21 O ATOM 63 CB SER A 913 5.306 4.939 -14.009 1.00 73.13 C ATOM 64 OG SER A 913 4.555 5.665 -14.967 1.00 41.11 O ATOM 0 H SER A 913 6.529 2.717 -12.924 1.00 11.02 H new ATOM 0 HA SER A 913 3.796 3.419 -13.829 1.00 65.03 H new ATOM 0 HB2 SER A 913 5.173 5.386 -13.024 1.00 73.13 H new ATOM 0 HB3 SER A 913 6.367 5.004 -14.249 1.00 73.13 H new ATOM 0 HG SER A 913 4.847 6.600 -14.971 1.00 41.11 H new ATOM 70 N GLU A 914 4.235 2.684 -16.174 1.00 34.14 N ATOM 71 CA GLU A 914 4.436 2.056 -17.474 1.00 32.40 C ATOM 72 C GLU A 914 5.362 2.897 -18.347 1.00 51.04 C ATOM 73 O GLU A 914 6.098 2.367 -19.180 1.00 41.51 O ATOM 74 CB GLU A 914 3.094 1.854 -18.181 1.00 12.11 C ATOM 75 CG GLU A 914 3.184 0.981 -19.421 1.00 21.41 C ATOM 76 CD GLU A 914 1.832 0.461 -19.868 1.00 73.31 C ATOM 77 OE1 GLU A 914 0.825 0.768 -19.196 1.00 24.35 O ATOM 78 OE2 GLU A 914 1.780 -0.253 -20.892 1.00 21.24 O ATOM 0 H GLU A 914 3.287 3.022 -16.011 1.00 34.14 H new ATOM 0 HA GLU A 914 4.902 1.084 -17.311 1.00 32.40 H new ATOM 0 HB2 GLU A 914 2.389 1.405 -17.482 1.00 12.11 H new ATOM 0 HB3 GLU A 914 2.690 2.827 -18.461 1.00 12.11 H new ATOM 0 HG2 GLU A 914 3.635 1.553 -20.232 1.00 21.41 H new ATOM 0 HG3 GLU A 914 3.845 0.138 -19.220 1.00 21.41 H new ATOM 85 N ASP A 915 5.318 4.210 -18.151 1.00 45.24 N ATOM 86 CA ASP A 915 6.153 5.126 -18.920 1.00 44.00 C ATOM 87 C ASP A 915 7.626 4.747 -18.803 1.00 4.14 C ATOM 88 O ASP A 915 8.413 4.989 -19.717 1.00 45.11 O ATOM 89 CB ASP A 915 5.944 6.564 -18.442 1.00 62.21 C ATOM 90 CG ASP A 915 4.576 7.103 -18.810 1.00 32.20 C ATOM 91 OD1 ASP A 915 4.350 7.380 -20.006 1.00 52.32 O ATOM 92 OD2 ASP A 915 3.731 7.248 -17.901 1.00 60.04 O ATOM 0 H ASP A 915 4.713 4.664 -17.466 1.00 45.24 H new ATOM 0 HA ASP A 915 5.860 5.053 -19.967 1.00 44.00 H new ATOM 0 HB2 ASP A 915 6.069 6.606 -17.360 1.00 62.21 H new ATOM 0 HB3 ASP A 915 6.712 7.204 -18.877 1.00 62.21 H new ATOM 97 N GLN A 916 7.991 4.153 -17.671 1.00 31.01 N ATOM 98 CA GLN A 916 9.370 3.743 -17.434 1.00 31.41 C ATOM 99 C GLN A 916 9.878 2.861 -18.570 1.00 22.44 C ATOM 100 O GLN A 916 10.949 3.103 -19.127 1.00 40.25 O ATOM 101 CB GLN A 916 9.481 2.996 -16.104 1.00 35.24 C ATOM 102 CG GLN A 916 10.879 2.475 -15.813 1.00 12.35 C ATOM 103 CD GLN A 916 11.936 3.558 -15.905 1.00 54.31 C ATOM 104 OE1 GLN A 916 12.737 3.582 -16.840 1.00 75.01 O ATOM 105 NE2 GLN A 916 11.943 4.463 -14.933 1.00 63.00 N ATOM 0 H GLN A 916 7.351 3.945 -16.904 1.00 31.01 H new ATOM 0 HA GLN A 916 9.987 4.640 -17.391 1.00 31.41 H new ATOM 0 HB2 GLN A 916 9.175 3.661 -15.297 1.00 35.24 H new ATOM 0 HB3 GLN A 916 8.784 2.158 -16.108 1.00 35.24 H new ATOM 0 HG2 GLN A 916 10.899 2.037 -14.815 1.00 12.35 H new ATOM 0 HG3 GLN A 916 11.119 1.677 -16.516 1.00 12.35 H new ATOM 0 HE21 GLN A 916 11.261 4.405 -14.177 1.00 63.00 H new ATOM 0 HE22 GLN A 916 12.631 5.216 -14.942 1.00 63.00 H new ATOM 114 N THR A 917 9.103 1.835 -18.908 1.00 24.41 N ATOM 115 CA THR A 917 9.476 0.915 -19.976 1.00 15.33 C ATOM 116 C THR A 917 9.795 1.668 -21.263 1.00 34.44 C ATOM 117 O THR A 917 10.767 1.357 -21.949 1.00 62.14 O ATOM 118 CB THR A 917 8.355 -0.104 -20.255 1.00 24.51 C ATOM 119 OG1 THR A 917 8.081 -0.866 -19.074 1.00 21.50 O ATOM 120 CG2 THR A 917 8.746 -1.040 -21.389 1.00 73.20 C ATOM 0 H THR A 917 8.213 1.620 -18.458 1.00 24.41 H new ATOM 0 HA THR A 917 10.366 0.383 -19.640 1.00 15.33 H new ATOM 0 HB THR A 917 7.460 0.444 -20.549 1.00 24.51 H new ATOM 0 HG1 THR A 917 7.366 -1.510 -19.259 1.00 21.50 H new ATOM 0 HG21 THR A 917 7.939 -1.751 -21.568 1.00 73.20 H new ATOM 0 HG22 THR A 917 8.926 -0.460 -22.294 1.00 73.20 H new ATOM 0 HG23 THR A 917 9.653 -1.581 -21.118 1.00 73.20 H new ATOM 128 N ALA A 918 8.970 2.659 -21.583 1.00 75.01 N ATOM 129 CA ALA A 918 9.166 3.458 -22.787 1.00 30.55 C ATOM 130 C ALA A 918 10.578 4.032 -22.840 1.00 34.21 C ATOM 131 O ALA A 918 11.163 4.165 -23.914 1.00 25.21 O ATOM 132 CB ALA A 918 8.136 4.576 -22.852 1.00 23.22 C ATOM 0 H ALA A 918 8.159 2.928 -21.026 1.00 75.01 H new ATOM 0 HA ALA A 918 9.034 2.807 -23.651 1.00 30.55 H new ATOM 0 HB1 ALA A 918 8.294 5.164 -23.756 1.00 23.22 H new ATOM 0 HB2 ALA A 918 7.134 4.147 -22.869 1.00 23.22 H new ATOM 0 HB3 ALA A 918 8.241 5.219 -21.978 1.00 23.22 H new ATOM 138 N ALA A 919 11.118 4.371 -21.674 1.00 51.21 N ATOM 139 CA ALA A 919 12.461 4.930 -21.588 1.00 43.05 C ATOM 140 C ALA A 919 13.519 3.850 -21.790 1.00 0.12 C ATOM 141 O ALA A 919 14.536 4.077 -22.447 1.00 12.31 O ATOM 142 CB ALA A 919 12.660 5.623 -20.249 1.00 3.13 C ATOM 0 H ALA A 919 10.646 4.268 -20.776 1.00 51.21 H new ATOM 0 HA ALA A 919 12.573 5.665 -22.385 1.00 43.05 H new ATOM 0 HB1 ALA A 919 13.668 6.036 -20.199 1.00 3.13 H new ATOM 0 HB2 ALA A 919 11.933 6.428 -20.144 1.00 3.13 H new ATOM 0 HB3 ALA A 919 12.523 4.903 -19.443 1.00 3.13 H new ATOM 148 N LEU A 920 13.274 2.675 -21.220 1.00 50.33 N ATOM 149 CA LEU A 920 14.206 1.559 -21.337 1.00 2.33 C ATOM 150 C LEU A 920 14.388 1.152 -22.795 1.00 63.23 C ATOM 151 O LEU A 920 15.500 0.859 -23.234 1.00 2.11 O ATOM 152 CB LEU A 920 13.708 0.366 -20.520 1.00 60.42 C ATOM 153 CG LEU A 920 13.261 0.670 -19.090 1.00 2.31 C ATOM 154 CD1 LEU A 920 12.885 -0.612 -18.364 1.00 14.32 C ATOM 155 CD2 LEU A 920 14.356 1.411 -18.336 1.00 31.24 C ATOM 0 H LEU A 920 12.438 2.471 -20.672 1.00 50.33 H new ATOM 0 HA LEU A 920 15.171 1.881 -20.947 1.00 2.33 H new ATOM 0 HB2 LEU A 920 12.872 -0.089 -21.051 1.00 60.42 H new ATOM 0 HB3 LEU A 920 14.503 -0.378 -20.480 1.00 60.42 H new ATOM 0 HG LEU A 920 12.380 1.310 -19.133 1.00 2.31 H new ATOM 0 HD11 LEU A 920 12.570 -0.376 -17.348 1.00 14.32 H new ATOM 0 HD12 LEU A 920 12.068 -1.103 -18.893 1.00 14.32 H new ATOM 0 HD13 LEU A 920 13.748 -1.278 -18.330 1.00 14.32 H new ATOM 0 HD21 LEU A 920 14.021 1.619 -17.320 1.00 31.24 H new ATOM 0 HD22 LEU A 920 15.255 0.796 -18.303 1.00 31.24 H new ATOM 0 HD23 LEU A 920 14.577 2.349 -18.845 1.00 31.24 H new ATOM 167 N MET A 921 13.289 1.137 -23.542 1.00 10.41 N ATOM 168 CA MET A 921 13.328 0.769 -24.952 1.00 44.24 C ATOM 169 C MET A 921 14.269 1.686 -25.728 1.00 3.25 C ATOM 170 O MET A 921 14.960 1.248 -26.647 1.00 2.12 O ATOM 171 CB MET A 921 11.924 0.831 -25.557 1.00 65.11 C ATOM 172 CG MET A 921 10.885 0.058 -24.761 1.00 65.22 C ATOM 173 SD MET A 921 10.174 -1.311 -25.694 1.00 34.31 S ATOM 174 CE MET A 921 8.648 -0.571 -26.270 1.00 71.14 C ATOM 0 H MET A 921 12.360 1.376 -23.194 1.00 10.41 H new ATOM 0 HA MET A 921 13.702 -0.252 -25.024 1.00 44.24 H new ATOM 0 HB2 MET A 921 11.614 1.873 -25.628 1.00 65.11 H new ATOM 0 HB3 MET A 921 11.957 0.438 -26.573 1.00 65.11 H new ATOM 0 HG2 MET A 921 11.343 -0.327 -23.850 1.00 65.22 H new ATOM 0 HG3 MET A 921 10.089 0.736 -24.455 1.00 65.22 H new ATOM 0 HE1 MET A 921 8.094 -1.297 -26.865 1.00 71.14 H new ATOM 0 HE2 MET A 921 8.045 -0.267 -25.414 1.00 71.14 H new ATOM 0 HE3 MET A 921 8.875 0.302 -26.882 1.00 71.14 H new ATOM 184 N ALA A 922 14.290 2.960 -25.350 1.00 43.44 N ATOM 185 CA ALA A 922 15.148 3.938 -26.009 1.00 74.02 C ATOM 186 C ALA A 922 16.620 3.582 -25.836 1.00 62.45 C ATOM 187 O ALA A 922 17.455 3.927 -26.673 1.00 62.12 O ATOM 188 CB ALA A 922 14.873 5.332 -25.466 1.00 13.34 C ATOM 0 H ALA A 922 13.723 3.339 -24.591 1.00 43.44 H new ATOM 0 HA ALA A 922 14.921 3.924 -27.075 1.00 74.02 H new ATOM 0 HB1 ALA A 922 15.520 6.052 -25.967 1.00 13.34 H new ATOM 0 HB2 ALA A 922 13.831 5.594 -25.647 1.00 13.34 H new ATOM 0 HB3 ALA A 922 15.071 5.351 -24.394 1.00 13.34 H new ATOM 194 N HIS A 923 16.933 2.889 -24.746 1.00 12.44 N ATOM 195 CA HIS A 923 18.306 2.486 -24.463 1.00 51.32 C ATOM 196 C HIS A 923 18.796 1.469 -25.490 1.00 15.42 C ATOM 197 O HIS A 923 19.963 1.480 -25.882 1.00 2.31 O ATOM 198 CB HIS A 923 18.408 1.897 -23.056 1.00 13.30 C ATOM 199 CG HIS A 923 17.989 2.848 -21.977 1.00 22.00 C ATOM 200 ND1 HIS A 923 17.638 2.626 -20.689 1.00 53.05 N flip ATOM 201 CD2 HIS A 923 17.894 4.210 -22.169 1.00 4.13 C flip ATOM 202 CE1 HIS A 923 17.342 3.846 -20.132 1.00 0.02 C flip ATOM 203 NE2 HIS A 923 17.504 4.785 -21.046 1.00 34.44 N flip ATOM 0 H HIS A 923 16.254 2.595 -24.044 1.00 12.44 H new ATOM 0 HA HIS A 923 18.938 3.372 -24.524 1.00 51.32 H new ATOM 0 HB2 HIS A 923 17.789 1.001 -23.000 1.00 13.30 H new ATOM 0 HB3 HIS A 923 19.437 1.585 -22.875 1.00 13.30 H new ATOM 0 HD2 HIS A 923 18.106 4.726 -23.094 1.00 4.13 H new ATOM 0 HE1 HIS A 923 17.028 4.011 -19.112 1.00 0.02 H new ATOM 0 HE2 HIS A 923 17.354 5.784 -20.908 1.00 34.44 H new ATOM 211 N LEU A 924 17.897 0.591 -25.921 1.00 14.51 N ATOM 212 CA LEU A 924 18.237 -0.433 -26.902 1.00 21.32 C ATOM 213 C LEU A 924 18.298 0.157 -28.307 1.00 74.20 C ATOM 214 O LEU A 924 19.223 -0.122 -29.070 1.00 22.35 O ATOM 215 CB LEU A 924 17.214 -1.570 -26.857 1.00 42.21 C ATOM 216 CG LEU A 924 17.012 -2.238 -25.497 1.00 1.14 C ATOM 217 CD1 LEU A 924 15.596 -2.006 -24.993 1.00 71.13 C ATOM 218 CD2 LEU A 924 17.312 -3.727 -25.584 1.00 60.20 C ATOM 0 H LEU A 924 16.927 0.568 -25.606 1.00 14.51 H new ATOM 0 HA LEU A 924 19.221 -0.828 -26.652 1.00 21.32 H new ATOM 0 HB2 LEU A 924 16.253 -1.181 -27.194 1.00 42.21 H new ATOM 0 HB3 LEU A 924 17.518 -2.334 -27.573 1.00 42.21 H new ATOM 0 HG LEU A 924 17.706 -1.789 -24.787 1.00 1.14 H new ATOM 0 HD11 LEU A 924 15.471 -2.489 -24.024 1.00 71.13 H new ATOM 0 HD12 LEU A 924 15.417 -0.936 -24.891 1.00 71.13 H new ATOM 0 HD13 LEU A 924 14.884 -2.427 -25.703 1.00 71.13 H new ATOM 0 HD21 LEU A 924 17.163 -4.186 -24.607 1.00 60.20 H new ATOM 0 HD22 LEU A 924 16.643 -4.191 -26.309 1.00 60.20 H new ATOM 0 HD23 LEU A 924 18.345 -3.872 -25.899 1.00 60.20 H new ATOM 230 N PHE A 925 17.306 0.976 -28.643 1.00 21.54 N ATOM 231 CA PHE A 925 17.247 1.607 -29.956 1.00 21.50 C ATOM 232 C PHE A 925 18.494 2.449 -30.211 1.00 74.33 C ATOM 233 O PHE A 925 18.902 2.640 -31.356 1.00 72.33 O ATOM 234 CB PHE A 925 15.996 2.480 -30.070 1.00 32.31 C ATOM 235 CG PHE A 925 14.719 1.737 -29.796 1.00 64.22 C ATOM 236 CD1 PHE A 925 14.523 0.462 -30.301 1.00 33.42 C ATOM 237 CD2 PHE A 925 13.716 2.314 -29.035 1.00 1.14 C ATOM 238 CE1 PHE A 925 13.349 -0.225 -30.051 1.00 24.04 C ATOM 239 CE2 PHE A 925 12.541 1.632 -28.781 1.00 1.24 C ATOM 240 CZ PHE A 925 12.357 0.362 -29.290 1.00 71.32 C ATOM 0 H PHE A 925 16.532 1.218 -28.024 1.00 21.54 H new ATOM 0 HA PHE A 925 17.202 0.820 -30.708 1.00 21.50 H new ATOM 0 HB2 PHE A 925 16.079 3.313 -29.372 1.00 32.31 H new ATOM 0 HB3 PHE A 925 15.951 2.907 -31.072 1.00 32.31 H new ATOM 0 HD1 PHE A 925 15.296 -0.001 -30.897 1.00 33.42 H new ATOM 0 HD2 PHE A 925 13.854 3.308 -28.636 1.00 1.14 H new ATOM 0 HE1 PHE A 925 13.208 -1.219 -30.450 1.00 24.04 H new ATOM 0 HE2 PHE A 925 11.767 2.092 -28.185 1.00 1.24 H new ATOM 0 HZ PHE A 925 11.439 -0.172 -29.093 1.00 71.32 H new ATOM 250 N GLU A 926 19.093 2.950 -29.135 1.00 74.25 N ATOM 251 CA GLU A 926 20.292 3.773 -29.243 1.00 74.32 C ATOM 252 C GLU A 926 21.424 2.999 -29.912 1.00 41.25 C ATOM 253 O GLU A 926 22.255 3.577 -30.612 1.00 63.23 O ATOM 254 CB GLU A 926 20.735 4.251 -27.859 1.00 54.41 C ATOM 255 CG GLU A 926 21.806 3.379 -27.228 1.00 23.15 C ATOM 256 CD GLU A 926 22.007 3.676 -25.754 1.00 41.12 C ATOM 257 OE1 GLU A 926 21.113 4.301 -25.147 1.00 52.42 O ATOM 258 OE2 GLU A 926 23.059 3.283 -25.208 1.00 62.52 O ATOM 0 H GLU A 926 18.768 2.801 -28.180 1.00 74.25 H new ATOM 0 HA GLU A 926 20.053 4.639 -29.860 1.00 74.32 H new ATOM 0 HB2 GLU A 926 21.110 5.271 -27.939 1.00 54.41 H new ATOM 0 HB3 GLU A 926 19.868 4.281 -27.199 1.00 54.41 H new ATOM 0 HG2 GLU A 926 21.534 2.331 -27.350 1.00 23.15 H new ATOM 0 HG3 GLU A 926 22.748 3.527 -27.756 1.00 23.15 H new ATOM 265 N MET A 927 21.449 1.689 -29.691 1.00 63.01 N ATOM 266 CA MET A 927 22.479 0.836 -30.273 1.00 30.20 C ATOM 267 C MET A 927 22.198 0.575 -31.749 1.00 64.15 C ATOM 268 O MET A 927 23.118 0.506 -32.563 1.00 44.23 O ATOM 269 CB MET A 927 22.560 -0.491 -29.515 1.00 45.22 C ATOM 270 CG MET A 927 23.398 -0.417 -28.249 1.00 11.23 C ATOM 271 SD MET A 927 23.829 -2.045 -27.605 1.00 42.11 S ATOM 272 CE MET A 927 25.607 -1.889 -27.452 1.00 51.54 C ATOM 0 H MET A 927 20.768 1.195 -29.114 1.00 63.01 H new ATOM 0 HA MET A 927 23.435 1.353 -30.189 1.00 30.20 H new ATOM 0 HB2 MET A 927 21.552 -0.814 -29.255 1.00 45.22 H new ATOM 0 HB3 MET A 927 22.978 -1.252 -30.174 1.00 45.22 H new ATOM 0 HG2 MET A 927 24.311 0.141 -28.455 1.00 11.23 H new ATOM 0 HG3 MET A 927 22.850 0.137 -27.487 1.00 11.23 H new ATOM 0 HE1 MET A 927 26.022 -2.819 -27.064 1.00 51.54 H new ATOM 0 HE2 MET A 927 26.039 -1.679 -28.430 1.00 51.54 H new ATOM 0 HE3 MET A 927 25.843 -1.074 -26.768 1.00 51.54 H new ATOM 282 N GLY A 928 20.921 0.430 -32.088 1.00 72.12 N ATOM 283 CA GLY A 928 20.543 0.178 -33.466 1.00 73.24 C ATOM 284 C GLY A 928 19.776 -1.120 -33.629 1.00 50.42 C ATOM 285 O GLY A 928 19.635 -1.631 -34.740 1.00 41.34 O ATOM 0 H GLY A 928 20.141 0.483 -31.433 1.00 72.12 H new ATOM 0 HA2 GLY A 928 19.933 1.005 -33.829 1.00 73.24 H new ATOM 0 HA3 GLY A 928 21.439 0.147 -34.086 1.00 73.24 H new ATOM 289 N PHE A 929 19.280 -1.655 -32.519 1.00 21.42 N ATOM 290 CA PHE A 929 18.526 -2.903 -32.543 1.00 32.13 C ATOM 291 C PHE A 929 17.254 -2.754 -33.373 1.00 63.12 C ATOM 292 O PHE A 929 17.041 -3.489 -34.338 1.00 50.24 O ATOM 293 CB PHE A 929 18.171 -3.336 -31.119 1.00 35.41 C ATOM 294 CG PHE A 929 19.348 -3.842 -30.335 1.00 13.32 C ATOM 295 CD1 PHE A 929 20.100 -4.908 -30.799 1.00 63.25 C ATOM 296 CD2 PHE A 929 19.701 -3.250 -29.133 1.00 24.43 C ATOM 297 CE1 PHE A 929 21.184 -5.375 -30.081 1.00 24.44 C ATOM 298 CE2 PHE A 929 20.785 -3.713 -28.410 1.00 13.13 C ATOM 299 CZ PHE A 929 21.526 -4.777 -28.884 1.00 24.55 C ATOM 0 H PHE A 929 19.386 -1.244 -31.591 1.00 21.42 H new ATOM 0 HA PHE A 929 19.152 -3.668 -33.003 1.00 32.13 H new ATOM 0 HB2 PHE A 929 17.729 -2.491 -30.591 1.00 35.41 H new ATOM 0 HB3 PHE A 929 17.412 -4.117 -31.164 1.00 35.41 H new ATOM 0 HD1 PHE A 929 19.836 -5.380 -31.734 1.00 63.25 H new ATOM 0 HD2 PHE A 929 19.124 -2.418 -28.757 1.00 24.43 H new ATOM 0 HE1 PHE A 929 21.763 -6.206 -30.455 1.00 24.44 H new ATOM 0 HE2 PHE A 929 21.052 -3.243 -27.475 1.00 13.13 H new ATOM 0 HZ PHE A 929 22.372 -5.141 -28.320 1.00 24.55 H new ATOM 309 N CYS A 930 16.414 -1.800 -32.991 1.00 13.54 N ATOM 310 CA CYS A 930 15.162 -1.554 -33.698 1.00 61.13 C ATOM 311 C CYS A 930 14.246 -2.771 -33.621 1.00 31.05 C ATOM 312 O CYS A 930 13.762 -3.262 -34.640 1.00 71.43 O ATOM 313 CB CYS A 930 15.439 -1.202 -35.161 1.00 24.14 C ATOM 314 SG CYS A 930 16.701 0.074 -35.386 1.00 75.22 S ATOM 0 H CYS A 930 16.577 -1.183 -32.195 1.00 13.54 H new ATOM 0 HA CYS A 930 14.661 -0.713 -33.218 1.00 61.13 H new ATOM 0 HB2 CYS A 930 15.751 -2.104 -35.688 1.00 24.14 H new ATOM 0 HB3 CYS A 930 14.511 -0.867 -35.625 1.00 24.14 H new ATOM 0 HG CYS A 930 16.867 0.301 -36.655 1.00 75.22 H new ATOM 320 N ASP A 931 14.014 -3.253 -32.405 1.00 34.13 N ATOM 321 CA ASP A 931 13.156 -4.413 -32.193 1.00 71.43 C ATOM 322 C ASP A 931 12.269 -4.217 -30.968 1.00 34.31 C ATOM 323 O ASP A 931 12.552 -4.747 -29.893 1.00 53.12 O ATOM 324 CB ASP A 931 14.002 -5.677 -32.029 1.00 2.34 C ATOM 325 CG ASP A 931 14.981 -5.871 -33.170 1.00 51.20 C ATOM 326 OD1 ASP A 931 14.566 -5.723 -34.338 1.00 40.43 O ATOM 327 OD2 ASP A 931 16.162 -6.172 -32.895 1.00 55.21 O ATOM 0 H ASP A 931 14.408 -2.858 -31.551 1.00 34.13 H new ATOM 0 HA ASP A 931 12.516 -4.525 -33.068 1.00 71.43 H new ATOM 0 HB2 ASP A 931 14.551 -5.624 -31.089 1.00 2.34 H new ATOM 0 HB3 ASP A 931 13.345 -6.545 -31.966 1.00 2.34 H new ATOM 332 N ARG A 932 11.195 -3.452 -31.137 1.00 61.33 N ATOM 333 CA ARG A 932 10.268 -3.184 -30.045 1.00 31.33 C ATOM 334 C ARG A 932 9.631 -4.477 -29.543 1.00 12.11 C ATOM 335 O ARG A 932 9.261 -4.584 -28.374 1.00 1.00 O ATOM 336 CB ARG A 932 9.180 -2.210 -30.499 1.00 14.45 C ATOM 337 CG ARG A 932 8.494 -2.621 -31.791 1.00 41.12 C ATOM 338 CD ARG A 932 7.002 -2.330 -31.747 1.00 60.43 C ATOM 339 NE ARG A 932 6.460 -2.051 -33.074 1.00 74.22 N ATOM 340 CZ ARG A 932 5.236 -1.579 -33.283 1.00 73.04 C ATOM 341 NH1 ARG A 932 4.432 -1.334 -32.258 1.00 32.21 N ATOM 342 NH2 ARG A 932 4.814 -1.350 -34.521 1.00 30.25 N ATOM 0 H ARG A 932 10.946 -3.007 -32.020 1.00 61.33 H new ATOM 0 HA ARG A 932 10.830 -2.734 -29.227 1.00 31.33 H new ATOM 0 HB2 ARG A 932 8.431 -2.123 -29.712 1.00 14.45 H new ATOM 0 HB3 ARG A 932 9.621 -1.222 -30.630 1.00 14.45 H new ATOM 0 HG2 ARG A 932 8.945 -2.089 -32.629 1.00 41.12 H new ATOM 0 HG3 ARG A 932 8.653 -3.685 -31.966 1.00 41.12 H new ATOM 0 HD2 ARG A 932 6.479 -3.182 -31.314 1.00 60.43 H new ATOM 0 HD3 ARG A 932 6.818 -1.477 -31.094 1.00 60.43 H new ATOM 0 HE ARG A 932 7.053 -2.228 -33.884 1.00 74.22 H new ATOM 0 HH11 ARG A 932 4.753 -1.508 -31.305 1.00 32.21 H new ATOM 0 HH12 ARG A 932 3.493 -0.972 -32.422 1.00 32.21 H new ATOM 0 HH21 ARG A 932 5.430 -1.537 -35.312 1.00 30.25 H new ATOM 0 HH22 ARG A 932 3.874 -0.988 -34.681 1.00 30.25 H new ATOM 356 N GLN A 933 9.506 -5.454 -30.435 1.00 21.21 N ATOM 357 CA GLN A 933 8.913 -6.739 -30.082 1.00 54.52 C ATOM 358 C GLN A 933 9.848 -7.542 -29.185 1.00 61.41 C ATOM 359 O GLN A 933 9.400 -8.296 -28.320 1.00 61.31 O ATOM 360 CB GLN A 933 8.586 -7.538 -31.345 1.00 44.51 C ATOM 361 CG GLN A 933 9.793 -8.233 -31.954 1.00 23.13 C ATOM 362 CD GLN A 933 9.527 -8.742 -33.357 1.00 24.44 C ATOM 363 OE1 GLN A 933 9.296 -7.961 -34.280 1.00 33.14 O ATOM 364 NE2 GLN A 933 9.560 -10.059 -33.525 1.00 34.34 N ATOM 0 H GLN A 933 9.807 -5.381 -31.407 1.00 21.21 H new ATOM 0 HA GLN A 933 7.991 -6.547 -29.534 1.00 54.52 H new ATOM 0 HB2 GLN A 933 7.829 -8.285 -31.107 1.00 44.51 H new ATOM 0 HB3 GLN A 933 8.150 -6.868 -32.086 1.00 44.51 H new ATOM 0 HG2 GLN A 933 10.634 -7.540 -31.976 1.00 23.13 H new ATOM 0 HG3 GLN A 933 10.086 -9.068 -31.318 1.00 23.13 H new ATOM 0 HE21 GLN A 933 9.755 -10.670 -32.732 1.00 34.34 H new ATOM 0 HE22 GLN A 933 9.390 -10.460 -34.447 1.00 34.34 H new ATOM 373 N LEU A 934 11.149 -7.377 -29.397 1.00 21.43 N ATOM 374 CA LEU A 934 12.149 -8.088 -28.607 1.00 71.11 C ATOM 375 C LEU A 934 12.292 -7.465 -27.222 1.00 63.51 C ATOM 376 O LEU A 934 12.204 -8.156 -26.208 1.00 70.41 O ATOM 377 CB LEU A 934 13.499 -8.076 -29.327 1.00 13.33 C ATOM 378 CG LEU A 934 13.835 -9.323 -30.144 1.00 60.41 C ATOM 379 CD1 LEU A 934 12.705 -9.651 -31.108 1.00 1.31 C ATOM 380 CD2 LEU A 934 15.143 -9.130 -30.898 1.00 74.43 C ATOM 0 H LEU A 934 11.536 -6.758 -30.109 1.00 21.43 H new ATOM 0 HA LEU A 934 11.817 -9.119 -28.488 1.00 71.11 H new ATOM 0 HB2 LEU A 934 13.526 -7.213 -29.992 1.00 13.33 H new ATOM 0 HB3 LEU A 934 14.283 -7.931 -28.584 1.00 13.33 H new ATOM 0 HG LEU A 934 13.954 -10.162 -29.458 1.00 60.41 H new ATOM 0 HD11 LEU A 934 12.963 -10.542 -31.681 1.00 1.31 H new ATOM 0 HD12 LEU A 934 11.789 -9.833 -30.546 1.00 1.31 H new ATOM 0 HD13 LEU A 934 12.553 -8.813 -31.789 1.00 1.31 H new ATOM 0 HD21 LEU A 934 15.367 -10.028 -31.474 1.00 74.43 H new ATOM 0 HD22 LEU A 934 15.052 -8.279 -31.573 1.00 74.43 H new ATOM 0 HD23 LEU A 934 15.949 -8.945 -30.188 1.00 74.43 H new ATOM 392 N ASN A 935 12.512 -6.155 -27.188 1.00 30.11 N ATOM 393 CA ASN A 935 12.666 -5.439 -25.927 1.00 12.40 C ATOM 394 C ASN A 935 11.478 -5.699 -25.005 1.00 43.31 C ATOM 395 O ASN A 935 11.609 -5.660 -23.781 1.00 35.12 O ATOM 396 CB ASN A 935 12.807 -3.937 -26.184 1.00 2.13 C ATOM 397 CG ASN A 935 13.717 -3.634 -27.359 1.00 31.33 C ATOM 398 OD1 ASN A 935 14.790 -4.222 -27.494 1.00 44.53 O ATOM 399 ND2 ASN A 935 13.290 -2.714 -28.215 1.00 43.52 N ATOM 0 H ASN A 935 12.588 -5.568 -28.019 1.00 30.11 H new ATOM 0 HA ASN A 935 13.569 -5.804 -25.438 1.00 12.40 H new ATOM 0 HB2 ASN A 935 11.822 -3.509 -26.371 1.00 2.13 H new ATOM 0 HB3 ASN A 935 13.200 -3.453 -25.290 1.00 2.13 H new ATOM 0 HD21 ASN A 935 13.859 -2.468 -29.025 1.00 43.52 H new ATOM 0 HD22 ASN A 935 12.393 -2.253 -28.062 1.00 43.52 H new ATOM 406 N LEU A 936 10.321 -5.964 -25.601 1.00 21.21 N ATOM 407 CA LEU A 936 9.109 -6.232 -24.834 1.00 4.11 C ATOM 408 C LEU A 936 9.141 -7.635 -24.237 1.00 64.22 C ATOM 409 O LEU A 936 8.928 -7.816 -23.038 1.00 43.42 O ATOM 410 CB LEU A 936 7.874 -6.071 -25.722 1.00 2.02 C ATOM 411 CG LEU A 936 6.572 -5.719 -25.002 1.00 53.14 C ATOM 412 CD1 LEU A 936 6.156 -6.845 -24.069 1.00 22.22 C ATOM 413 CD2 LEU A 936 6.723 -4.415 -24.233 1.00 50.53 C ATOM 0 H LEU A 936 10.196 -5.999 -26.613 1.00 21.21 H new ATOM 0 HA LEU A 936 9.059 -5.511 -24.018 1.00 4.11 H new ATOM 0 HB2 LEU A 936 8.080 -5.295 -26.459 1.00 2.02 H new ATOM 0 HB3 LEU A 936 7.722 -7.000 -26.271 1.00 2.02 H new ATOM 0 HG LEU A 936 5.790 -5.588 -25.750 1.00 53.14 H new ATOM 0 HD11 LEU A 936 5.227 -6.576 -23.566 1.00 22.22 H new ATOM 0 HD12 LEU A 936 6.005 -7.758 -24.645 1.00 22.22 H new ATOM 0 HD13 LEU A 936 6.937 -7.009 -23.326 1.00 22.22 H new ATOM 0 HD21 LEU A 936 5.786 -4.180 -23.727 1.00 50.53 H new ATOM 0 HD22 LEU A 936 7.518 -4.518 -23.495 1.00 50.53 H new ATOM 0 HD23 LEU A 936 6.972 -3.611 -24.925 1.00 50.53 H new ATOM 425 N ARG A 937 9.411 -8.626 -25.081 1.00 42.45 N ATOM 426 CA ARG A 937 9.472 -10.013 -24.637 1.00 44.23 C ATOM 427 C ARG A 937 10.663 -10.235 -23.709 1.00 42.53 C ATOM 428 O ARG A 937 10.632 -11.105 -22.838 1.00 72.25 O ATOM 429 CB ARG A 937 9.568 -10.952 -25.841 1.00 23.21 C ATOM 430 CG ARG A 937 10.983 -11.121 -26.371 1.00 11.23 C ATOM 431 CD ARG A 937 11.650 -12.359 -25.793 1.00 61.33 C ATOM 432 NE ARG A 937 10.907 -13.577 -26.106 1.00 23.21 N ATOM 433 CZ ARG A 937 11.254 -14.782 -25.668 1.00 21.41 C ATOM 434 NH1 ARG A 937 12.326 -14.930 -24.902 1.00 45.13 N ATOM 435 NH2 ARG A 937 10.527 -15.843 -25.995 1.00 62.12 N ATOM 0 H ARG A 937 9.591 -8.494 -26.076 1.00 42.45 H new ATOM 0 HA ARG A 937 8.558 -10.232 -24.085 1.00 44.23 H new ATOM 0 HB2 ARG A 937 9.175 -11.929 -25.561 1.00 23.21 H new ATOM 0 HB3 ARG A 937 8.933 -10.570 -26.640 1.00 23.21 H new ATOM 0 HG2 ARG A 937 10.959 -11.193 -27.458 1.00 11.23 H new ATOM 0 HG3 ARG A 937 11.573 -10.239 -26.123 1.00 11.23 H new ATOM 0 HD2 ARG A 937 12.664 -12.442 -26.186 1.00 61.33 H new ATOM 0 HD3 ARG A 937 11.735 -12.254 -24.711 1.00 61.33 H new ATOM 0 HE ARG A 937 10.076 -13.498 -26.693 1.00 23.21 H new ATOM 0 HH11 ARG A 937 12.887 -14.117 -24.647 1.00 45.13 H new ATOM 0 HH12 ARG A 937 12.590 -15.857 -24.567 1.00 45.13 H new ATOM 0 HH21 ARG A 937 9.701 -15.734 -26.583 1.00 62.12 H new ATOM 0 HH22 ARG A 937 10.794 -16.768 -25.658 1.00 62.12 H new ATOM 449 N LEU A 938 11.712 -9.442 -23.902 1.00 31.24 N ATOM 450 CA LEU A 938 12.914 -9.552 -23.082 1.00 50.44 C ATOM 451 C LEU A 938 12.673 -8.992 -21.684 1.00 33.30 C ATOM 452 O LEU A 938 13.009 -9.627 -20.683 1.00 43.32 O ATOM 453 CB LEU A 938 14.077 -8.812 -23.746 1.00 54.24 C ATOM 454 CG LEU A 938 15.120 -9.687 -24.442 1.00 32.34 C ATOM 455 CD1 LEU A 938 15.695 -10.706 -23.470 1.00 34.21 C ATOM 456 CD2 LEU A 938 14.511 -10.384 -25.650 1.00 25.11 C ATOM 0 H LEU A 938 11.754 -8.717 -24.618 1.00 31.24 H new ATOM 0 HA LEU A 938 13.167 -10.608 -22.992 1.00 50.44 H new ATOM 0 HB2 LEU A 938 13.668 -8.117 -24.479 1.00 54.24 H new ATOM 0 HB3 LEU A 938 14.582 -8.214 -22.987 1.00 54.24 H new ATOM 0 HG LEU A 938 15.931 -9.047 -24.788 1.00 32.34 H new ATOM 0 HD11 LEU A 938 16.436 -11.320 -23.982 1.00 34.21 H new ATOM 0 HD12 LEU A 938 16.168 -10.187 -22.636 1.00 34.21 H new ATOM 0 HD13 LEU A 938 14.894 -11.342 -23.094 1.00 34.21 H new ATOM 0 HD21 LEU A 938 15.268 -11.002 -26.133 1.00 25.11 H new ATOM 0 HD22 LEU A 938 13.681 -11.012 -25.327 1.00 25.11 H new ATOM 0 HD23 LEU A 938 14.148 -9.637 -26.356 1.00 25.11 H new ATOM 468 N LEU A 939 12.086 -7.802 -21.622 1.00 21.03 N ATOM 469 CA LEU A 939 11.797 -7.157 -20.345 1.00 71.44 C ATOM 470 C LEU A 939 11.057 -8.109 -19.410 1.00 42.42 C ATOM 471 O LEU A 939 11.464 -8.314 -18.266 1.00 42.24 O ATOM 472 CB LEU A 939 10.965 -5.893 -20.567 1.00 44.32 C ATOM 473 CG LEU A 939 11.754 -4.604 -20.802 1.00 13.31 C ATOM 474 CD1 LEU A 939 10.835 -3.500 -21.301 1.00 51.53 C ATOM 475 CD2 LEU A 939 12.464 -4.173 -19.527 1.00 32.23 C ATOM 0 H LEU A 939 11.801 -7.264 -22.440 1.00 21.03 H new ATOM 0 HA LEU A 939 12.745 -6.884 -19.881 1.00 71.44 H new ATOM 0 HB2 LEU A 939 10.312 -6.057 -21.424 1.00 44.32 H new ATOM 0 HB3 LEU A 939 10.321 -5.749 -19.699 1.00 44.32 H new ATOM 0 HG LEU A 939 12.507 -4.796 -21.566 1.00 13.31 H new ATOM 0 HD11 LEU A 939 11.413 -2.590 -21.463 1.00 51.53 H new ATOM 0 HD12 LEU A 939 10.373 -3.808 -22.239 1.00 51.53 H new ATOM 0 HD13 LEU A 939 10.059 -3.309 -20.559 1.00 51.53 H new ATOM 0 HD21 LEU A 939 13.020 -3.254 -19.713 1.00 32.23 H new ATOM 0 HD22 LEU A 939 11.728 -3.999 -18.742 1.00 32.23 H new ATOM 0 HD23 LEU A 939 13.153 -4.957 -19.211 1.00 32.23 H new ATOM 487 N LYS A 940 9.969 -8.689 -19.905 1.00 0.14 N ATOM 488 CA LYS A 940 9.173 -9.622 -19.116 1.00 2.23 C ATOM 489 C LYS A 940 9.986 -10.861 -18.756 1.00 23.15 C ATOM 490 O LYS A 940 9.696 -11.543 -17.773 1.00 34.24 O ATOM 491 CB LYS A 940 7.916 -10.030 -19.886 1.00 73.14 C ATOM 492 CG LYS A 940 7.074 -8.852 -20.345 1.00 42.23 C ATOM 493 CD LYS A 940 5.834 -8.683 -19.483 1.00 44.33 C ATOM 494 CE LYS A 940 5.123 -7.372 -19.781 1.00 52.14 C ATOM 495 NZ LYS A 940 6.022 -6.199 -19.600 1.00 11.15 N ATOM 0 H LYS A 940 9.618 -8.529 -20.849 1.00 0.14 H new ATOM 0 HA LYS A 940 8.880 -9.121 -18.194 1.00 2.23 H new ATOM 0 HB2 LYS A 940 8.208 -10.618 -20.756 1.00 73.14 H new ATOM 0 HB3 LYS A 940 7.307 -10.677 -19.254 1.00 73.14 H new ATOM 0 HG2 LYS A 940 7.671 -7.941 -20.308 1.00 42.23 H new ATOM 0 HG3 LYS A 940 6.779 -8.998 -21.384 1.00 42.23 H new ATOM 0 HD2 LYS A 940 5.152 -9.516 -19.657 1.00 44.33 H new ATOM 0 HD3 LYS A 940 6.114 -8.715 -18.430 1.00 44.33 H new ATOM 0 HE2 LYS A 940 4.748 -7.387 -20.804 1.00 52.14 H new ATOM 0 HE3 LYS A 940 4.258 -7.271 -19.125 1.00 52.14 H new ATOM 0 HZ1 LYS A 940 5.482 -5.407 -19.196 1.00 11.15 H new ATOM 0 HZ2 LYS A 940 6.798 -6.453 -18.956 1.00 11.15 H new ATOM 0 HZ3 LYS A 940 6.414 -5.917 -20.521 1.00 11.15 H new ATOM 509 N LYS A 941 11.007 -11.147 -19.556 1.00 44.44 N ATOM 510 CA LYS A 941 11.865 -12.302 -19.321 1.00 61.02 C ATOM 511 C LYS A 941 12.816 -12.046 -18.156 1.00 53.21 C ATOM 512 O LYS A 941 13.024 -12.915 -17.309 1.00 15.13 O ATOM 513 CB LYS A 941 12.665 -12.634 -20.583 1.00 23.24 C ATOM 514 CG LYS A 941 13.355 -13.986 -20.527 1.00 24.13 C ATOM 515 CD LYS A 941 14.863 -13.848 -20.653 1.00 24.10 C ATOM 516 CE LYS A 941 15.591 -14.786 -19.701 1.00 55.24 C ATOM 517 NZ LYS A 941 15.329 -14.442 -18.276 1.00 71.23 N ATOM 0 H LYS A 941 11.261 -10.594 -20.374 1.00 44.44 H new ATOM 0 HA LYS A 941 11.229 -13.150 -19.068 1.00 61.02 H new ATOM 0 HB2 LYS A 941 11.996 -12.612 -21.443 1.00 23.24 H new ATOM 0 HB3 LYS A 941 13.415 -11.859 -20.742 1.00 23.24 H new ATOM 0 HG2 LYS A 941 13.111 -14.481 -19.587 1.00 24.13 H new ATOM 0 HG3 LYS A 941 12.979 -14.621 -21.329 1.00 24.13 H new ATOM 0 HD2 LYS A 941 15.165 -14.063 -21.678 1.00 24.10 H new ATOM 0 HD3 LYS A 941 15.154 -12.818 -20.444 1.00 24.10 H new ATOM 0 HE2 LYS A 941 15.276 -15.812 -19.891 1.00 55.24 H new ATOM 0 HE3 LYS A 941 16.663 -14.740 -19.895 1.00 55.24 H new ATOM 0 HZ1 LYS A 941 15.092 -15.306 -17.748 1.00 71.23 H new ATOM 0 HZ2 LYS A 941 16.177 -14.005 -17.863 1.00 71.23 H new ATOM 0 HZ3 LYS A 941 14.534 -13.774 -18.221 1.00 71.23 H new ATOM 531 N HIS A 942 13.390 -10.847 -18.119 1.00 34.41 N ATOM 532 CA HIS A 942 14.317 -10.476 -17.056 1.00 32.42 C ATOM 533 C HIS A 942 13.591 -9.736 -15.936 1.00 24.50 C ATOM 534 O HIS A 942 14.208 -9.304 -14.964 1.00 25.15 O ATOM 535 CB HIS A 942 15.442 -9.605 -17.613 1.00 45.33 C ATOM 536 CG HIS A 942 16.184 -10.238 -18.750 1.00 73.31 C ATOM 537 ND1 HIS A 942 17.083 -11.270 -18.581 1.00 33.05 N ATOM 538 CD2 HIS A 942 16.154 -9.982 -20.079 1.00 11.22 C ATOM 539 CE1 HIS A 942 17.575 -11.620 -19.755 1.00 41.44 C ATOM 540 NE2 HIS A 942 17.027 -10.853 -20.681 1.00 63.45 N ATOM 0 H HIS A 942 13.229 -10.117 -18.813 1.00 34.41 H new ATOM 0 HA HIS A 942 14.745 -11.390 -16.645 1.00 32.42 H new ATOM 0 HB2 HIS A 942 15.024 -8.656 -17.947 1.00 45.33 H new ATOM 0 HB3 HIS A 942 16.146 -9.379 -16.812 1.00 45.33 H new ATOM 0 HD1 HIS A 942 17.329 -11.697 -17.688 1.00 33.05 H new ATOM 0 HD2 HIS A 942 15.555 -9.232 -20.573 1.00 11.22 H new ATOM 0 HE1 HIS A 942 18.301 -12.400 -19.929 1.00 41.44 H new ATOM 548 N ASN A 943 12.278 -9.594 -16.081 1.00 71.21 N ATOM 549 CA ASN A 943 11.469 -8.905 -15.082 1.00 72.22 C ATOM 550 C ASN A 943 11.832 -7.425 -15.014 1.00 64.15 C ATOM 551 O ASN A 943 12.306 -6.938 -13.988 1.00 4.12 O ATOM 552 CB ASN A 943 11.658 -9.552 -13.708 1.00 54.34 C ATOM 553 CG ASN A 943 10.448 -9.370 -12.813 1.00 15.23 C ATOM 554 OD1 ASN A 943 9.350 -9.828 -13.132 1.00 44.11 O ATOM 555 ND2 ASN A 943 10.643 -8.698 -11.684 1.00 52.10 N ATOM 0 H ASN A 943 11.751 -9.947 -16.880 1.00 71.21 H new ATOM 0 HA ASN A 943 10.423 -8.991 -15.376 1.00 72.22 H new ATOM 0 HB2 ASN A 943 11.856 -10.616 -13.835 1.00 54.34 H new ATOM 0 HB3 ASN A 943 12.534 -9.120 -13.223 1.00 54.34 H new ATOM 0 HD21 ASN A 943 9.866 -8.544 -11.042 1.00 52.10 H new ATOM 0 HD22 ASN A 943 11.570 -8.336 -11.460 1.00 52.10 H new ATOM 562 N TYR A 944 11.607 -6.715 -16.114 1.00 74.33 N ATOM 563 CA TYR A 944 11.912 -5.291 -16.181 1.00 32.11 C ATOM 564 C TYR A 944 13.393 -5.038 -15.916 1.00 71.31 C ATOM 565 O TYR A 944 13.753 -4.201 -15.090 1.00 50.43 O ATOM 566 CB TYR A 944 11.063 -4.518 -15.170 1.00 75.33 C ATOM 567 CG TYR A 944 9.680 -4.175 -15.678 1.00 21.32 C ATOM 568 CD1 TYR A 944 8.870 -5.145 -16.255 1.00 33.35 C ATOM 569 CD2 TYR A 944 9.184 -2.881 -15.580 1.00 21.14 C ATOM 570 CE1 TYR A 944 7.606 -4.836 -16.720 1.00 65.12 C ATOM 571 CE2 TYR A 944 7.921 -2.563 -16.041 1.00 64.12 C ATOM 572 CZ TYR A 944 7.137 -3.544 -16.611 1.00 53.21 C ATOM 573 OH TYR A 944 5.878 -3.232 -17.072 1.00 63.15 O ATOM 0 H TYR A 944 11.214 -7.103 -16.972 1.00 74.33 H new ATOM 0 HA TYR A 944 11.676 -4.942 -17.186 1.00 32.11 H new ATOM 0 HB2 TYR A 944 10.970 -5.109 -14.259 1.00 75.33 H new ATOM 0 HB3 TYR A 944 11.581 -3.597 -14.901 1.00 75.33 H new ATOM 0 HD1 TYR A 944 9.234 -6.158 -16.342 1.00 33.35 H new ATOM 0 HD2 TYR A 944 9.796 -2.110 -15.136 1.00 21.14 H new ATOM 0 HE1 TYR A 944 6.989 -5.602 -17.166 1.00 65.12 H new ATOM 0 HE2 TYR A 944 7.550 -1.552 -15.956 1.00 64.12 H new ATOM 0 HH TYR A 944 5.700 -2.280 -16.919 1.00 63.15 H new ATOM 583 N ASN A 945 14.247 -5.770 -16.625 1.00 1.34 N ATOM 584 CA ASN A 945 15.690 -5.626 -16.467 1.00 51.13 C ATOM 585 C ASN A 945 16.343 -5.219 -17.785 1.00 12.33 C ATOM 586 O ASN A 945 16.871 -6.059 -18.513 1.00 74.43 O ATOM 587 CB ASN A 945 16.302 -6.935 -15.965 1.00 1.01 C ATOM 588 CG ASN A 945 17.427 -6.704 -14.974 1.00 72.51 C ATOM 589 OD1 ASN A 945 18.458 -6.122 -15.312 1.00 75.45 O ATOM 590 ND2 ASN A 945 17.233 -7.162 -13.743 1.00 1.24 N ATOM 0 H ASN A 945 13.965 -6.468 -17.313 1.00 1.34 H new ATOM 0 HA ASN A 945 15.874 -4.842 -15.733 1.00 51.13 H new ATOM 0 HB2 ASN A 945 15.526 -7.539 -15.495 1.00 1.01 H new ATOM 0 HB3 ASN A 945 16.680 -7.505 -16.814 1.00 1.01 H new ATOM 0 HD21 ASN A 945 17.954 -7.037 -13.033 1.00 1.24 H new ATOM 0 HD22 ASN A 945 16.362 -7.639 -13.507 1.00 1.24 H new ATOM 597 N ILE A 946 16.303 -3.925 -18.083 1.00 42.51 N ATOM 598 CA ILE A 946 16.892 -3.406 -19.311 1.00 44.13 C ATOM 599 C ILE A 946 18.341 -3.858 -19.460 1.00 2.13 C ATOM 600 O ILE A 946 18.796 -4.171 -20.561 1.00 32.22 O ATOM 601 CB ILE A 946 16.839 -1.867 -19.355 1.00 63.43 C ATOM 602 CG1 ILE A 946 17.498 -1.349 -20.635 1.00 50.13 C ATOM 603 CG2 ILE A 946 17.518 -1.279 -18.128 1.00 5.32 C ATOM 604 CD1 ILE A 946 16.846 -1.862 -21.901 1.00 5.35 C ATOM 0 H ILE A 946 15.869 -3.217 -17.491 1.00 42.51 H new ATOM 0 HA ILE A 946 16.303 -3.805 -20.136 1.00 44.13 H new ATOM 0 HB ILE A 946 15.795 -1.554 -19.354 1.00 63.43 H new ATOM 0 HG12 ILE A 946 17.466 -0.259 -20.635 1.00 50.13 H new ATOM 0 HG13 ILE A 946 18.549 -1.637 -20.635 1.00 50.13 H new ATOM 0 HG21 ILE A 946 17.473 -0.191 -18.173 1.00 5.32 H new ATOM 0 HG22 ILE A 946 17.009 -1.626 -17.229 1.00 5.32 H new ATOM 0 HG23 ILE A 946 18.560 -1.598 -18.101 1.00 5.32 H new ATOM 0 HD11 ILE A 946 17.365 -1.454 -22.768 1.00 5.35 H new ATOM 0 HD12 ILE A 946 16.902 -2.950 -21.924 1.00 5.35 H new ATOM 0 HD13 ILE A 946 15.801 -1.551 -21.924 1.00 5.35 H new ATOM 616 N LEU A 947 19.062 -3.891 -18.344 1.00 73.22 N ATOM 617 CA LEU A 947 20.460 -4.307 -18.349 1.00 30.24 C ATOM 618 C LEU A 947 20.619 -5.674 -19.007 1.00 44.33 C ATOM 619 O LEU A 947 21.439 -5.846 -19.909 1.00 21.10 O ATOM 620 CB LEU A 947 21.004 -4.350 -16.920 1.00 22.53 C ATOM 621 CG LEU A 947 20.795 -3.088 -16.083 1.00 50.32 C ATOM 622 CD1 LEU A 947 21.234 -3.321 -14.646 1.00 13.21 C ATOM 623 CD2 LEU A 947 21.551 -1.915 -16.690 1.00 10.30 C ATOM 0 H LEU A 947 18.701 -3.635 -17.425 1.00 73.22 H new ATOM 0 HA LEU A 947 21.029 -3.578 -18.926 1.00 30.24 H new ATOM 0 HB2 LEU A 947 20.538 -5.187 -16.401 1.00 22.53 H new ATOM 0 HB3 LEU A 947 22.073 -4.558 -16.966 1.00 22.53 H new ATOM 0 HG LEU A 947 19.732 -2.848 -16.081 1.00 50.32 H new ATOM 0 HD11 LEU A 947 21.078 -2.412 -14.066 1.00 13.21 H new ATOM 0 HD12 LEU A 947 20.648 -4.132 -14.214 1.00 13.21 H new ATOM 0 HD13 LEU A 947 22.291 -3.586 -14.627 1.00 13.21 H new ATOM 0 HD21 LEU A 947 21.391 -1.025 -16.081 1.00 10.30 H new ATOM 0 HD22 LEU A 947 22.616 -2.146 -16.722 1.00 10.30 H new ATOM 0 HD23 LEU A 947 21.188 -1.733 -17.702 1.00 10.30 H new ATOM 635 N GLN A 948 19.829 -6.640 -18.552 1.00 21.32 N ATOM 636 CA GLN A 948 19.882 -7.991 -19.098 1.00 42.05 C ATOM 637 C GLN A 948 19.262 -8.039 -20.491 1.00 30.41 C ATOM 638 O GLN A 948 19.678 -8.827 -21.340 1.00 63.43 O ATOM 639 CB GLN A 948 19.158 -8.968 -18.171 1.00 24.24 C ATOM 640 CG GLN A 948 19.749 -9.029 -16.771 1.00 52.11 C ATOM 641 CD GLN A 948 21.208 -9.440 -16.770 1.00 71.25 C ATOM 642 OE1 GLN A 948 22.102 -8.599 -16.872 1.00 32.51 O ATOM 643 NE2 GLN A 948 21.457 -10.739 -16.656 1.00 31.53 N ATOM 0 H GLN A 948 19.144 -6.513 -17.807 1.00 21.32 H new ATOM 0 HA GLN A 948 20.929 -8.284 -19.175 1.00 42.05 H new ATOM 0 HB2 GLN A 948 18.109 -8.680 -18.101 1.00 24.24 H new ATOM 0 HB3 GLN A 948 19.187 -9.964 -18.612 1.00 24.24 H new ATOM 0 HG2 GLN A 948 19.650 -8.053 -16.296 1.00 52.11 H new ATOM 0 HG3 GLN A 948 19.176 -9.735 -16.170 1.00 52.11 H new ATOM 0 HE21 GLN A 948 20.685 -11.401 -16.574 1.00 31.53 H new ATOM 0 HE22 GLN A 948 22.420 -11.075 -16.650 1.00 31.53 H new ATOM 652 N VAL A 949 18.264 -7.192 -20.719 1.00 14.24 N ATOM 653 CA VAL A 949 17.586 -7.137 -22.008 1.00 61.35 C ATOM 654 C VAL A 949 18.557 -6.765 -23.124 1.00 15.13 C ATOM 655 O VAL A 949 18.736 -7.517 -24.082 1.00 4.23 O ATOM 656 CB VAL A 949 16.427 -6.123 -21.991 1.00 42.23 C ATOM 657 CG1 VAL A 949 15.802 -6.003 -23.373 1.00 34.14 C ATOM 658 CG2 VAL A 949 15.385 -6.523 -20.958 1.00 0.52 C ATOM 0 H VAL A 949 17.907 -6.534 -20.027 1.00 14.24 H new ATOM 0 HA VAL A 949 17.184 -8.132 -22.197 1.00 61.35 H new ATOM 0 HB VAL A 949 16.825 -5.147 -21.713 1.00 42.23 H new ATOM 0 HG11 VAL A 949 14.985 -5.282 -23.341 1.00 34.14 H new ATOM 0 HG12 VAL A 949 16.555 -5.666 -24.085 1.00 34.14 H new ATOM 0 HG13 VAL A 949 15.417 -6.974 -23.684 1.00 34.14 H new ATOM 0 HG21 VAL A 949 14.573 -5.796 -20.959 1.00 0.52 H new ATOM 0 HG22 VAL A 949 14.989 -7.509 -21.203 1.00 0.52 H new ATOM 0 HG23 VAL A 949 15.845 -6.552 -19.970 1.00 0.52 H new ATOM 668 N VAL A 950 19.181 -5.599 -22.992 1.00 40.24 N ATOM 669 CA VAL A 950 20.135 -5.126 -23.988 1.00 63.33 C ATOM 670 C VAL A 950 21.247 -6.146 -24.212 1.00 14.23 C ATOM 671 O VAL A 950 21.558 -6.503 -25.348 1.00 71.24 O ATOM 672 CB VAL A 950 20.763 -3.783 -23.571 1.00 54.35 C ATOM 673 CG1 VAL A 950 21.798 -3.337 -24.593 1.00 11.12 C ATOM 674 CG2 VAL A 950 19.685 -2.724 -23.396 1.00 13.24 C ATOM 0 H VAL A 950 19.043 -4.965 -22.205 1.00 40.24 H new ATOM 0 HA VAL A 950 19.580 -4.987 -24.916 1.00 63.33 H new ATOM 0 HB VAL A 950 21.267 -3.919 -22.614 1.00 54.35 H new ATOM 0 HG11 VAL A 950 22.231 -2.386 -24.281 1.00 11.12 H new ATOM 0 HG12 VAL A 950 22.585 -4.088 -24.665 1.00 11.12 H new ATOM 0 HG13 VAL A 950 21.321 -3.217 -25.566 1.00 11.12 H new ATOM 0 HG21 VAL A 950 20.146 -1.781 -23.101 1.00 13.24 H new ATOM 0 HG22 VAL A 950 19.152 -2.589 -24.337 1.00 13.24 H new ATOM 0 HG23 VAL A 950 18.984 -3.042 -22.624 1.00 13.24 H new ATOM 684 N THR A 951 21.843 -6.612 -23.119 1.00 33.51 N ATOM 685 CA THR A 951 22.920 -7.591 -23.195 1.00 2.14 C ATOM 686 C THR A 951 22.481 -8.834 -23.959 1.00 71.50 C ATOM 687 O THR A 951 23.289 -9.483 -24.623 1.00 53.34 O ATOM 688 CB THR A 951 23.400 -8.008 -21.792 1.00 4.54 C ATOM 689 OG1 THR A 951 23.892 -6.865 -21.083 1.00 4.32 O ATOM 690 CG2 THR A 951 24.493 -9.062 -21.885 1.00 10.05 C ATOM 0 H THR A 951 21.598 -6.327 -22.171 1.00 33.51 H new ATOM 0 HA THR A 951 23.743 -7.114 -23.726 1.00 2.14 H new ATOM 0 HB THR A 951 22.553 -8.432 -21.253 1.00 4.54 H new ATOM 0 HG1 THR A 951 23.148 -6.415 -20.631 1.00 4.32 H new ATOM 0 HG21 THR A 951 24.816 -9.341 -20.882 1.00 10.05 H new ATOM 0 HG22 THR A 951 24.107 -9.942 -22.400 1.00 10.05 H new ATOM 0 HG23 THR A 951 25.340 -8.660 -22.440 1.00 10.05 H new ATOM 698 N GLU A 952 21.196 -9.161 -23.861 1.00 0.05 N ATOM 699 CA GLU A 952 20.651 -10.328 -24.544 1.00 34.13 C ATOM 700 C GLU A 952 20.605 -10.103 -26.052 1.00 72.34 C ATOM 701 O GLU A 952 21.186 -10.868 -26.824 1.00 0.05 O ATOM 702 CB GLU A 952 19.247 -10.643 -24.021 1.00 65.21 C ATOM 703 CG GLU A 952 18.850 -12.101 -24.184 1.00 43.32 C ATOM 704 CD GLU A 952 19.178 -12.935 -22.961 1.00 51.01 C ATOM 705 OE1 GLU A 952 20.230 -12.686 -22.337 1.00 23.11 O ATOM 706 OE2 GLU A 952 18.381 -13.837 -22.628 1.00 72.13 O ATOM 0 H GLU A 952 20.514 -8.634 -23.316 1.00 0.05 H new ATOM 0 HA GLU A 952 21.306 -11.175 -24.340 1.00 34.13 H new ATOM 0 HB2 GLU A 952 19.193 -10.376 -22.966 1.00 65.21 H new ATOM 0 HB3 GLU A 952 18.524 -10.018 -24.545 1.00 65.21 H new ATOM 0 HG2 GLU A 952 17.780 -12.162 -24.385 1.00 43.32 H new ATOM 0 HG3 GLU A 952 19.361 -12.518 -25.051 1.00 43.32 H new ATOM 713 N LEU A 953 19.910 -9.050 -26.467 1.00 14.25 N ATOM 714 CA LEU A 953 19.786 -8.723 -27.883 1.00 24.20 C ATOM 715 C LEU A 953 21.158 -8.648 -28.546 1.00 1.23 C ATOM 716 O LEU A 953 21.315 -9.001 -29.715 1.00 71.42 O ATOM 717 CB LEU A 953 19.049 -7.394 -28.058 1.00 20.41 C ATOM 718 CG LEU A 953 17.527 -7.482 -28.177 1.00 1.13 C ATOM 719 CD1 LEU A 953 16.955 -8.358 -27.073 1.00 0.32 C ATOM 720 CD2 LEU A 953 16.908 -6.093 -28.133 1.00 11.44 C ATOM 0 H LEU A 953 19.423 -8.407 -25.842 1.00 14.25 H new ATOM 0 HA LEU A 953 19.212 -9.515 -28.365 1.00 24.20 H new ATOM 0 HB2 LEU A 953 19.291 -6.753 -27.210 1.00 20.41 H new ATOM 0 HB3 LEU A 953 19.435 -6.902 -28.950 1.00 20.41 H new ATOM 0 HG LEU A 953 17.282 -7.937 -29.137 1.00 1.13 H new ATOM 0 HD11 LEU A 953 15.871 -8.409 -27.174 1.00 0.32 H new ATOM 0 HD12 LEU A 953 17.374 -9.361 -27.151 1.00 0.32 H new ATOM 0 HD13 LEU A 953 17.210 -7.933 -26.102 1.00 0.32 H new ATOM 0 HD21 LEU A 953 15.824 -6.175 -28.219 1.00 11.44 H new ATOM 0 HD22 LEU A 953 17.162 -5.611 -27.189 1.00 11.44 H new ATOM 0 HD23 LEU A 953 17.294 -5.496 -28.960 1.00 11.44 H new ATOM 732 N LEU A 954 22.149 -8.187 -27.791 1.00 4.10 N ATOM 733 CA LEU A 954 23.510 -8.067 -28.304 1.00 73.11 C ATOM 734 C LEU A 954 24.187 -9.432 -28.374 1.00 44.12 C ATOM 735 O LEU A 954 24.664 -9.845 -29.431 1.00 51.51 O ATOM 736 CB LEU A 954 24.328 -7.124 -27.421 1.00 11.43 C ATOM 737 CG LEU A 954 25.539 -6.466 -28.083 1.00 1.22 C ATOM 738 CD1 LEU A 954 25.094 -5.381 -29.052 1.00 23.24 C ATOM 739 CD2 LEU A 954 26.476 -5.892 -27.030 1.00 51.40 C ATOM 0 H LEU A 954 22.036 -7.890 -26.822 1.00 4.10 H new ATOM 0 HA LEU A 954 23.457 -7.656 -29.312 1.00 73.11 H new ATOM 0 HB2 LEU A 954 23.668 -6.338 -27.054 1.00 11.43 H new ATOM 0 HB3 LEU A 954 24.673 -7.682 -26.551 1.00 11.43 H new ATOM 0 HG LEU A 954 26.080 -7.227 -28.646 1.00 1.22 H new ATOM 0 HD11 LEU A 954 25.969 -4.924 -29.513 1.00 23.24 H new ATOM 0 HD12 LEU A 954 24.464 -5.820 -29.825 1.00 23.24 H new ATOM 0 HD13 LEU A 954 24.530 -4.620 -28.512 1.00 23.24 H new ATOM 0 HD21 LEU A 954 27.332 -5.428 -27.519 1.00 51.40 H new ATOM 0 HD22 LEU A 954 25.946 -5.144 -26.440 1.00 51.40 H new ATOM 0 HD23 LEU A 954 26.822 -6.692 -26.376 1.00 51.40 H new ATOM 751 N GLN A 955 24.224 -10.127 -27.242 1.00 60.53 N ATOM 752 CA GLN A 955 24.842 -11.447 -27.177 1.00 11.45 C ATOM 753 C GLN A 955 24.260 -12.374 -28.239 1.00 2.34 C ATOM 754 O GLN A 955 24.996 -13.052 -28.956 1.00 63.32 O ATOM 755 CB GLN A 955 24.646 -12.056 -25.787 1.00 73.34 C ATOM 756 CG GLN A 955 25.701 -11.628 -24.780 1.00 70.15 C ATOM 757 CD GLN A 955 25.916 -12.657 -23.688 1.00 4.41 C ATOM 758 OE1 GLN A 955 26.832 -13.477 -23.763 1.00 52.22 O ATOM 759 NE2 GLN A 955 25.072 -12.618 -22.664 1.00 22.44 N ATOM 0 H GLN A 955 23.834 -9.799 -26.358 1.00 60.53 H new ATOM 0 HA GLN A 955 25.909 -11.331 -27.368 1.00 11.45 H new ATOM 0 HB2 GLN A 955 23.662 -11.774 -25.412 1.00 73.34 H new ATOM 0 HB3 GLN A 955 24.656 -13.143 -25.871 1.00 73.34 H new ATOM 0 HG2 GLN A 955 26.643 -11.452 -25.299 1.00 70.15 H new ATOM 0 HG3 GLN A 955 25.404 -10.681 -24.329 1.00 70.15 H new ATOM 0 HE21 GLN A 955 24.327 -11.921 -22.643 1.00 22.44 H new ATOM 0 HE22 GLN A 955 25.168 -13.285 -21.898 1.00 22.44 H new ATOM 768 N LEU A 956 22.935 -12.399 -28.334 1.00 4.55 N ATOM 769 CA LEU A 956 22.254 -13.243 -29.308 1.00 71.23 C ATOM 770 C LEU A 956 22.641 -12.854 -30.731 1.00 41.24 C ATOM 771 O LEU A 956 22.625 -13.684 -31.639 1.00 34.32 O ATOM 772 CB LEU A 956 20.738 -13.137 -29.133 1.00 30.20 C ATOM 773 CG LEU A 956 19.890 -13.682 -30.283 1.00 14.52 C ATOM 774 CD1 LEU A 956 20.268 -15.122 -30.590 1.00 62.00 C ATOM 775 CD2 LEU A 956 18.409 -13.577 -29.949 1.00 13.02 C ATOM 0 H LEU A 956 22.311 -11.844 -27.748 1.00 4.55 H new ATOM 0 HA LEU A 956 22.562 -14.274 -29.136 1.00 71.23 H new ATOM 0 HB2 LEU A 956 20.460 -13.665 -28.221 1.00 30.20 H new ATOM 0 HB3 LEU A 956 20.482 -12.088 -28.985 1.00 30.20 H new ATOM 0 HG LEU A 956 20.086 -13.080 -31.170 1.00 14.52 H new ATOM 0 HD11 LEU A 956 19.654 -15.492 -31.411 1.00 62.00 H new ATOM 0 HD12 LEU A 956 21.319 -15.170 -30.873 1.00 62.00 H new ATOM 0 HD13 LEU A 956 20.102 -15.738 -29.706 1.00 62.00 H new ATOM 0 HD21 LEU A 956 17.820 -13.969 -30.778 1.00 13.02 H new ATOM 0 HD22 LEU A 956 18.197 -14.154 -29.049 1.00 13.02 H new ATOM 0 HD23 LEU A 956 18.147 -12.532 -29.780 1.00 13.02 H new ATOM 787 N ASN A 957 22.991 -11.585 -30.918 1.00 23.32 N ATOM 788 CA ASN A 957 23.385 -11.086 -32.230 1.00 72.03 C ATOM 789 C ASN A 957 24.902 -10.960 -32.332 1.00 12.30 C ATOM 790 O ASN A 957 25.417 -10.149 -33.100 1.00 60.05 O ATOM 791 CB ASN A 957 22.730 -9.730 -32.501 1.00 14.04 C ATOM 792 CG ASN A 957 22.705 -9.383 -33.977 1.00 25.53 C ATOM 793 OD1 ASN A 957 23.144 -8.306 -34.380 1.00 63.31 O ATOM 794 ND2 ASN A 957 22.191 -10.298 -34.791 1.00 13.14 N ATOM 0 H ASN A 957 23.010 -10.884 -30.177 1.00 23.32 H new ATOM 0 HA ASN A 957 23.047 -11.802 -32.979 1.00 72.03 H new ATOM 0 HB2 ASN A 957 21.710 -9.739 -32.116 1.00 14.04 H new ATOM 0 HB3 ASN A 957 23.269 -8.954 -31.958 1.00 14.04 H new ATOM 0 HD21 ASN A 957 22.149 -10.122 -35.795 1.00 13.14 H new ATOM 0 HD22 ASN A 957 21.839 -11.177 -34.412 1.00 13.14 H new ATOM 801 N ASN A 958 25.611 -11.768 -31.551 1.00 61.11 N ATOM 802 CA ASN A 958 27.069 -11.747 -31.553 1.00 23.20 C ATOM 803 C ASN A 958 27.619 -12.248 -32.885 1.00 72.51 C ATOM 804 O ASN A 958 28.618 -11.736 -33.388 1.00 55.13 O ATOM 805 CB ASN A 958 27.614 -12.605 -30.409 1.00 10.42 C ATOM 806 CG ASN A 958 27.395 -14.087 -30.642 1.00 51.12 C ATOM 807 OD1 ASN A 958 26.268 -14.533 -30.857 1.00 53.23 O ATOM 808 ND2 ASN A 958 28.475 -14.858 -30.600 1.00 60.23 N ATOM 0 H ASN A 958 25.200 -12.445 -30.909 1.00 61.11 H new ATOM 0 HA ASN A 958 27.392 -10.716 -31.411 1.00 23.20 H new ATOM 0 HB2 ASN A 958 28.680 -12.412 -30.290 1.00 10.42 H new ATOM 0 HB3 ASN A 958 27.131 -12.311 -29.477 1.00 10.42 H new ATOM 0 HD21 ASN A 958 28.390 -15.863 -30.749 1.00 60.23 H new ATOM 0 HD22 ASN A 958 29.390 -14.445 -30.419 1.00 60.23 H new ATOM 815 N ASN A 959 26.958 -13.253 -33.451 1.00 23.52 N ATOM 816 CA ASN A 959 27.380 -13.824 -34.725 1.00 22.52 C ATOM 817 C ASN A 959 27.011 -12.903 -35.883 1.00 54.20 C ATOM 818 O ASN A 959 26.012 -13.122 -36.568 1.00 41.54 O ATOM 819 CB ASN A 959 26.740 -15.199 -34.928 1.00 64.31 C ATOM 820 CG ASN A 959 27.352 -16.260 -34.033 1.00 42.22 C ATOM 821 OD1 ASN A 959 28.574 -16.375 -33.934 1.00 11.42 O ATOM 822 ND2 ASN A 959 26.503 -17.042 -33.377 1.00 10.54 N ATOM 0 H ASN A 959 26.128 -13.688 -33.048 1.00 23.52 H new ATOM 0 HA ASN A 959 28.464 -13.935 -34.704 1.00 22.52 H new ATOM 0 HB2 ASN A 959 25.671 -15.132 -34.728 1.00 64.31 H new ATOM 0 HB3 ASN A 959 26.851 -15.498 -35.970 1.00 64.31 H new ATOM 0 HD21 ASN A 959 26.856 -17.774 -32.761 1.00 10.54 H new ATOM 0 HD22 ASN A 959 25.498 -16.911 -33.489 1.00 10.54 H new TER 829 ASN A 959