USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 563 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 KDH O03 : rot 110:sc= -0.0274 USER MOD Set 1.2: A 120 MET CE :methyl -117:sc= -10.6! (180deg=-15.2!) USER MOD Single : A 1 KDH O02 : rot -66:sc= 0.126 USER MOD Single : A 1 KDH O1 : rot -2:sc= 0.0399 USER MOD Single : A 1 KDH O10 : rot 180:sc= 0 USER MOD Single : A 1 KDH O44 : rot 180:sc= 0.0378 USER MOD Single : A 1 KDH O47 : rot -120:sc= 0.0408 USER MOD Single : A 1 KDH O50 : rot -149:sc=0.000933 USER MOD Single : A 1 KDH O7 : rot -159:sc= 0.0576 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -156:sc= -0.109 (180deg=-1.26!) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0804 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -132:sc=-0.00508 (180deg=-0.105) USER MOD Single : A 106 LYS NZ :NH3+ 144:sc= -0.515 (180deg=-4.76!) USER MOD Single : A 107 ASN : amide:sc= -0.0835 K(o=-0.083,f=-2.6!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.0056 X(o=-0.0056,f=0) USER MOD Single : A 124 THR OG1 : rot -45:sc= 0.297 USER MOD Single : A 127 THR OG1 : rot 51:sc= 1.08 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -149:sc= -4.68 (180deg=-4.97!) USER MOD Single : A 138 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.19) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 144 ASN : amide:sc= -0.717 K(o=-0.72,f=-1.9) USER MOD Single : A 150 TYR OH : rot 72:sc= 0.0465 USER MOD Single : A 157 MET CE :methyl -155:sc= -2.17! (180deg=-3.05!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 13.336 6.140 1.294 1.00 2.87 N ATOM 2 CA MET A 90 12.116 6.512 2.066 1.00 2.20 C ATOM 3 C MET A 90 10.896 6.559 1.141 1.00 1.76 C ATOM 4 O MET A 90 10.973 6.214 -0.021 1.00 2.23 O ATOM 5 CB MET A 90 12.414 7.900 2.634 1.00 2.68 C ATOM 6 CG MET A 90 13.105 7.758 3.991 1.00 3.11 C ATOM 7 SD MET A 90 13.695 9.379 4.540 1.00 4.08 S ATOM 8 CE MET A 90 12.825 9.409 6.127 1.00 4.71 C ATOM 0 HA MET A 90 11.889 5.791 2.851 1.00 2.20 H new ATOM 0 HB2 MET A 90 13.050 8.457 1.946 1.00 2.68 H new ATOM 0 HB3 MET A 90 11.489 8.467 2.742 1.00 2.68 H new ATOM 0 HG2 MET A 90 12.411 7.345 4.723 1.00 3.11 H new ATOM 0 HG3 MET A 90 13.940 7.062 3.915 1.00 3.11 H new ATOM 0 HE1 MET A 90 13.049 10.340 6.647 1.00 4.71 H new ATOM 0 HE2 MET A 90 11.751 9.339 5.955 1.00 4.71 H new ATOM 0 HE3 MET A 90 13.150 8.566 6.736 1.00 4.71 H new ATOM 20 N GLY A 91 9.771 6.982 1.649 1.00 1.61 N ATOM 21 CA GLY A 91 8.549 7.049 0.799 1.00 1.31 C ATOM 22 C GLY A 91 8.133 5.635 0.390 1.00 1.37 C ATOM 23 O GLY A 91 8.925 4.871 -0.125 1.00 1.61 O ATOM 0 H GLY A 91 9.645 7.284 2.615 1.00 1.61 H new ATOM 0 HA2 GLY A 91 7.740 7.534 1.345 1.00 1.31 H new ATOM 0 HA3 GLY A 91 8.742 7.653 -0.087 1.00 1.31 H new ATOM 27 N LYS A 92 6.897 5.280 0.615 1.00 1.27 N ATOM 28 CA LYS A 92 6.435 3.913 0.237 1.00 1.47 C ATOM 29 C LYS A 92 4.905 3.836 0.277 1.00 1.40 C ATOM 30 O LYS A 92 4.247 3.843 -0.744 1.00 1.56 O ATOM 31 CB LYS A 92 7.046 2.982 1.285 1.00 1.61 C ATOM 32 CG LYS A 92 6.669 1.534 0.962 1.00 1.94 C ATOM 33 CD LYS A 92 6.031 0.885 2.192 1.00 2.31 C ATOM 34 CE LYS A 92 6.023 -0.636 2.020 1.00 2.59 C ATOM 35 NZ LYS A 92 5.529 -0.865 0.633 1.00 3.20 N ATOM 0 H LYS A 92 6.188 5.876 1.043 1.00 1.27 H new ATOM 0 HA LYS A 92 6.738 3.643 -0.775 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.130 3.093 1.298 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.687 3.250 2.279 1.00 1.61 H new ATOM 0 HG2 LYS A 92 5.975 1.507 0.122 1.00 1.94 H new ATOM 0 HG3 LYS A 92 7.555 0.975 0.661 1.00 1.94 H new ATOM 0 HD2 LYS A 92 6.587 1.157 3.089 1.00 2.31 H new ATOM 0 HD3 LYS A 92 5.013 1.252 2.323 1.00 2.31 H new ATOM 0 HE2 LYS A 92 7.020 -1.054 2.158 1.00 2.59 H new ATOM 0 HE3 LYS A 92 5.373 -1.113 2.754 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 5.114 -1.816 0.565 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 4.806 -0.154 0.400 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 6.322 -0.785 -0.036 1.00 3.20 H new ATOM 49 N SER A 93 4.334 3.760 1.449 1.00 1.38 N ATOM 50 CA SER A 93 2.849 3.679 1.550 1.00 1.40 C ATOM 51 C SER A 93 2.313 4.807 2.434 1.00 1.20 C ATOM 52 O SER A 93 3.062 5.603 2.966 1.00 1.08 O ATOM 53 CB SER A 93 2.572 2.320 2.191 1.00 1.60 C ATOM 54 OG SER A 93 1.171 2.075 2.187 1.00 2.20 O ATOM 0 H SER A 93 4.831 3.751 2.340 1.00 1.38 H new ATOM 0 HA SER A 93 2.364 3.781 0.579 1.00 1.40 H new ATOM 0 HB2 SER A 93 3.092 1.534 1.643 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.953 2.302 3.212 1.00 1.60 H new ATOM 0 HG SER A 93 0.990 1.203 2.596 1.00 2.20 H new ATOM 60 N GLU A 94 1.020 4.881 2.597 1.00 1.26 N ATOM 61 CA GLU A 94 0.433 5.956 3.447 1.00 1.17 C ATOM 62 C GLU A 94 1.238 6.106 4.741 1.00 1.12 C ATOM 63 O GLU A 94 1.260 7.156 5.352 1.00 1.09 O ATOM 64 CB GLU A 94 -0.989 5.485 3.753 1.00 1.33 C ATOM 65 CG GLU A 94 -1.771 5.341 2.446 1.00 1.28 C ATOM 66 CD GLU A 94 -3.269 5.472 2.730 1.00 1.44 C ATOM 67 OE1 GLU A 94 -3.715 6.586 2.949 1.00 2.09 O ATOM 68 OE2 GLU A 94 -3.944 4.456 2.723 1.00 1.94 O ATOM 0 H GLU A 94 0.344 4.243 2.178 1.00 1.26 H new ATOM 0 HA GLU A 94 0.444 6.927 2.952 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.962 4.531 4.280 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -1.486 6.198 4.410 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.457 6.106 1.736 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -1.560 4.375 1.988 1.00 1.28 H new ATOM 75 N GLU A 95 1.898 5.063 5.164 1.00 1.19 N ATOM 76 CA GLU A 95 2.700 5.144 6.419 1.00 1.23 C ATOM 77 C GLU A 95 4.007 5.902 6.169 1.00 1.03 C ATOM 78 O GLU A 95 4.439 6.696 6.981 1.00 1.01 O ATOM 79 CB GLU A 95 2.988 3.690 6.797 1.00 1.45 C ATOM 80 CG GLU A 95 4.027 3.649 7.918 1.00 1.90 C ATOM 81 CD GLU A 95 3.385 4.112 9.227 1.00 2.12 C ATOM 82 OE1 GLU A 95 2.167 4.164 9.279 1.00 2.66 O ATOM 83 OE2 GLU A 95 4.121 4.407 10.154 1.00 2.49 O ATOM 0 H GLU A 95 1.917 4.157 4.695 1.00 1.19 H new ATOM 0 HA GLU A 95 2.173 5.677 7.211 1.00 1.23 H new ATOM 0 HB2 GLU A 95 2.070 3.199 7.120 1.00 1.45 H new ATOM 0 HB3 GLU A 95 3.354 3.143 5.928 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.417 2.637 8.030 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.872 4.290 7.668 1.00 1.90 H new ATOM 90 N GLU A 96 4.641 5.662 5.054 1.00 1.02 N ATOM 91 CA GLU A 96 5.921 6.368 4.758 1.00 0.94 C ATOM 92 C GLU A 96 5.648 7.680 4.016 1.00 0.79 C ATOM 93 O GLU A 96 6.450 8.592 4.034 1.00 0.82 O ATOM 94 CB GLU A 96 6.709 5.405 3.869 1.00 1.15 C ATOM 95 CG GLU A 96 7.258 4.259 4.721 1.00 1.62 C ATOM 96 CD GLU A 96 8.757 4.104 4.462 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.489 5.034 4.760 1.00 2.78 O ATOM 98 OE2 GLU A 96 9.149 3.059 3.970 1.00 2.18 O ATOM 0 H GLU A 96 4.329 5.009 4.336 1.00 1.02 H new ATOM 0 HA GLU A 96 6.466 6.626 5.666 1.00 0.94 H new ATOM 0 HB2 GLU A 96 6.066 5.011 3.081 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.527 5.932 3.379 1.00 1.15 H new ATOM 0 HG2 GLU A 96 7.079 4.459 5.777 1.00 1.62 H new ATOM 0 HG3 GLU A 96 6.739 3.331 4.480 1.00 1.62 H new ATOM 105 N LEU A 97 4.524 7.782 3.362 1.00 0.77 N ATOM 106 CA LEU A 97 4.207 9.037 2.622 1.00 0.71 C ATOM 107 C LEU A 97 3.727 10.119 3.594 1.00 0.67 C ATOM 108 O LEU A 97 3.748 11.294 3.288 1.00 0.75 O ATOM 109 CB LEU A 97 3.091 8.654 1.650 1.00 0.80 C ATOM 110 CG LEU A 97 3.590 7.564 0.700 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.594 7.392 -0.447 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.953 7.965 0.134 1.00 1.22 C ATOM 0 H LEU A 97 3.813 7.053 3.308 1.00 0.77 H new ATOM 0 HA LEU A 97 5.077 9.441 2.104 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.220 8.299 2.202 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.774 9.528 1.082 1.00 0.80 H new ATOM 0 HG LEU A 97 3.684 6.624 1.244 1.00 0.77 H new ATOM 0 HD11 LEU A 97 2.949 6.615 -1.124 1.00 1.40 H new ATOM 0 HD12 LEU A 97 1.622 7.106 -0.045 1.00 1.40 H new ATOM 0 HD13 LEU A 97 2.499 8.332 -0.991 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.309 7.188 -0.543 1.00 1.22 H new ATOM 0 HD22 LEU A 97 4.859 8.905 -0.410 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.664 8.088 0.951 1.00 1.22 H new ATOM 124 N SER A 98 3.295 9.731 4.763 1.00 0.69 N ATOM 125 CA SER A 98 2.814 10.740 5.751 1.00 0.76 C ATOM 126 C SER A 98 3.979 11.612 6.227 1.00 0.72 C ATOM 127 O SER A 98 3.884 12.823 6.267 1.00 0.77 O ATOM 128 CB SER A 98 2.251 9.923 6.913 1.00 0.92 C ATOM 129 OG SER A 98 2.322 10.693 8.106 1.00 1.57 O ATOM 0 H SER A 98 3.254 8.761 5.077 1.00 0.69 H new ATOM 0 HA SER A 98 2.068 11.410 5.324 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.218 9.642 6.708 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.815 8.998 7.029 1.00 0.92 H new ATOM 0 HG SER A 98 1.960 10.172 8.853 1.00 1.57 H new ATOM 135 N ASP A 99 5.076 11.007 6.591 1.00 0.80 N ATOM 136 CA ASP A 99 6.242 11.803 7.068 1.00 0.86 C ATOM 137 C ASP A 99 6.887 12.557 5.899 1.00 0.81 C ATOM 138 O ASP A 99 7.168 13.733 5.992 1.00 0.91 O ATOM 139 CB ASP A 99 7.213 10.775 7.651 1.00 1.02 C ATOM 140 CG ASP A 99 7.494 9.686 6.614 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.308 9.926 5.738 1.00 1.83 O ATOM 142 OD2 ASP A 99 6.891 8.630 6.715 1.00 1.79 O ATOM 0 H ASP A 99 5.215 9.997 6.579 1.00 0.80 H new ATOM 0 HA ASP A 99 5.955 12.553 7.805 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.143 11.263 7.941 1.00 1.02 H new ATOM 0 HB3 ASP A 99 6.791 10.332 8.553 1.00 1.02 H new ATOM 147 N LEU A 100 7.122 11.891 4.802 1.00 0.75 N ATOM 148 CA LEU A 100 7.749 12.577 3.635 1.00 0.76 C ATOM 149 C LEU A 100 7.118 13.956 3.425 1.00 0.68 C ATOM 150 O LEU A 100 7.799 14.930 3.171 1.00 0.79 O ATOM 151 CB LEU A 100 7.459 11.670 2.438 1.00 0.86 C ATOM 152 CG LEU A 100 8.776 11.148 1.861 1.00 0.79 C ATOM 153 CD1 LEU A 100 8.964 9.684 2.260 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.743 11.259 0.335 1.00 1.41 C ATOM 0 H LEU A 100 6.908 10.904 4.662 1.00 0.75 H new ATOM 0 HA LEU A 100 8.818 12.736 3.779 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.828 10.836 2.745 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.909 12.221 1.675 1.00 0.86 H new ATOM 0 HG LEU A 100 9.603 11.740 2.252 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.903 9.312 1.849 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.987 9.603 3.347 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.137 9.091 1.869 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.681 10.887 -0.077 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.915 10.667 -0.055 1.00 1.41 H new ATOM 0 HD23 LEU A 100 8.609 12.302 0.049 1.00 1.41 H new ATOM 166 N PHE A 101 5.821 14.045 3.526 1.00 0.60 N ATOM 167 CA PHE A 101 5.143 15.358 3.327 1.00 0.59 C ATOM 168 C PHE A 101 5.747 16.421 4.251 1.00 0.60 C ATOM 169 O PHE A 101 5.688 17.602 3.971 1.00 0.72 O ATOM 170 CB PHE A 101 3.681 15.103 3.689 1.00 0.61 C ATOM 171 CG PHE A 101 2.796 16.030 2.891 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.485 15.729 1.560 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.285 17.191 3.484 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.664 16.588 0.821 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.463 18.051 2.745 1.00 0.73 C ATOM 176 CZ PHE A 101 1.152 17.749 1.413 1.00 0.69 C ATOM 0 H PHE A 101 5.200 13.264 3.738 1.00 0.60 H new ATOM 0 HA PHE A 101 5.256 15.728 2.308 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.420 14.065 3.482 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.526 15.264 4.756 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.879 14.833 1.103 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.525 17.423 4.511 1.00 0.68 H new ATOM 0 HE1 PHE A 101 1.425 16.355 -0.206 1.00 0.90 H new ATOM 0 HE2 PHE A 101 1.069 18.947 3.202 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.518 18.411 0.843 1.00 0.69 H new ATOM 186 N ARG A 102 6.323 16.017 5.349 1.00 0.67 N ATOM 187 CA ARG A 102 6.922 17.014 6.284 1.00 0.76 C ATOM 188 C ARG A 102 8.105 17.726 5.617 1.00 0.68 C ATOM 189 O ARG A 102 8.331 18.902 5.824 1.00 0.78 O ATOM 190 CB ARG A 102 7.382 16.200 7.500 1.00 0.99 C ATOM 191 CG ARG A 102 8.750 15.566 7.227 1.00 1.30 C ATOM 192 CD ARG A 102 9.062 14.537 8.317 1.00 1.45 C ATOM 193 NE ARG A 102 10.015 15.227 9.230 1.00 2.12 N ATOM 194 CZ ARG A 102 10.477 14.611 10.285 1.00 2.71 C ATOM 195 NH1 ARG A 102 10.105 13.387 10.549 1.00 3.07 N ATOM 196 NH2 ARG A 102 11.313 15.221 11.080 1.00 3.37 N ATOM 0 H ARG A 102 6.405 15.043 5.640 1.00 0.67 H new ATOM 0 HA ARG A 102 6.213 17.791 6.568 1.00 0.76 H new ATOM 0 HB2 ARG A 102 7.441 16.845 8.377 1.00 0.99 H new ATOM 0 HB3 ARG A 102 6.651 15.423 7.724 1.00 0.99 H new ATOM 0 HG2 ARG A 102 8.752 15.087 6.248 1.00 1.30 H new ATOM 0 HG3 ARG A 102 9.522 16.335 7.207 1.00 1.30 H new ATOM 0 HD2 ARG A 102 8.158 14.233 8.845 1.00 1.45 H new ATOM 0 HD3 ARG A 102 9.503 13.634 7.894 1.00 1.45 H new ATOM 0 HE ARG A 102 10.308 16.184 9.031 1.00 2.12 H new ATOM 0 HH11 ARG A 102 9.451 12.908 9.930 1.00 3.07 H new ATOM 0 HH12 ARG A 102 10.469 12.910 11.374 1.00 3.07 H new ATOM 0 HH21 ARG A 102 11.604 16.177 10.877 1.00 3.37 H new ATOM 0 HH22 ARG A 102 11.675 14.742 11.904 1.00 3.37 H new ATOM 210 N MET A 103 8.861 17.021 4.820 1.00 0.71 N ATOM 211 CA MET A 103 10.029 17.656 4.145 1.00 0.75 C ATOM 212 C MET A 103 9.609 18.263 2.804 1.00 0.68 C ATOM 213 O MET A 103 10.199 19.215 2.332 1.00 0.83 O ATOM 214 CB MET A 103 11.024 16.517 3.923 1.00 0.93 C ATOM 215 CG MET A 103 12.418 16.968 4.360 1.00 1.27 C ATOM 216 SD MET A 103 13.471 17.172 2.902 1.00 1.82 S ATOM 217 CE MET A 103 13.742 15.414 2.572 1.00 2.43 C ATOM 0 H MET A 103 8.721 16.033 4.607 1.00 0.71 H new ATOM 0 HA MET A 103 10.454 18.465 4.739 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.720 15.638 4.491 1.00 0.93 H new ATOM 0 HB3 MET A 103 11.036 16.229 2.872 1.00 0.93 H new ATOM 0 HG2 MET A 103 12.353 17.907 4.909 1.00 1.27 H new ATOM 0 HG3 MET A 103 12.854 16.233 5.037 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.805 15.234 2.411 1.00 2.43 H new ATOM 0 HE2 MET A 103 13.399 14.827 3.424 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.186 15.121 1.682 1.00 2.43 H new ATOM 227 N PHE A 104 8.599 17.720 2.182 1.00 0.68 N ATOM 228 CA PHE A 104 8.154 18.270 0.870 1.00 0.79 C ATOM 229 C PHE A 104 7.608 19.689 1.045 1.00 0.71 C ATOM 230 O PHE A 104 7.852 20.561 0.234 1.00 0.88 O ATOM 231 CB PHE A 104 7.051 17.325 0.391 1.00 0.94 C ATOM 232 CG PHE A 104 7.133 17.177 -1.111 1.00 1.31 C ATOM 233 CD1 PHE A 104 7.712 18.190 -1.886 1.00 1.26 C ATOM 234 CD2 PHE A 104 6.633 16.025 -1.730 1.00 2.03 C ATOM 235 CE1 PHE A 104 7.792 18.051 -3.276 1.00 1.86 C ATOM 236 CE2 PHE A 104 6.712 15.887 -3.121 1.00 2.65 C ATOM 237 CZ PHE A 104 7.292 16.900 -3.893 1.00 2.56 C ATOM 0 H PHE A 104 8.064 16.922 2.524 1.00 0.68 H new ATOM 0 HA PHE A 104 8.973 18.333 0.154 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.158 16.352 0.870 1.00 0.94 H new ATOM 0 HB3 PHE A 104 6.074 17.715 0.676 1.00 0.94 H new ATOM 0 HD1 PHE A 104 8.097 19.080 -1.410 1.00 1.26 H new ATOM 0 HD2 PHE A 104 6.186 15.243 -1.134 1.00 2.03 H new ATOM 0 HE1 PHE A 104 8.240 18.832 -3.872 1.00 1.86 H new ATOM 0 HE2 PHE A 104 6.325 14.999 -3.598 1.00 2.65 H new ATOM 0 HZ PHE A 104 7.353 16.793 -4.966 1.00 2.56 H new ATOM 247 N ASP A 105 6.871 19.929 2.094 1.00 0.61 N ATOM 248 CA ASP A 105 6.312 21.294 2.314 1.00 0.60 C ATOM 249 C ASP A 105 7.346 22.187 3.007 1.00 0.56 C ATOM 250 O ASP A 105 7.159 22.612 4.129 1.00 0.63 O ATOM 251 CB ASP A 105 5.094 21.084 3.215 1.00 0.68 C ATOM 252 CG ASP A 105 4.326 22.400 3.355 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.569 23.293 2.560 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.508 22.493 4.255 1.00 1.45 O ATOM 0 H ASP A 105 6.632 19.241 2.808 1.00 0.61 H new ATOM 0 HA ASP A 105 6.047 21.786 1.378 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.445 20.316 2.794 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.411 20.730 4.196 1.00 0.68 H new ATOM 259 N LYS A 106 8.434 22.475 2.346 1.00 0.59 N ATOM 260 CA LYS A 106 9.477 23.341 2.966 1.00 0.66 C ATOM 261 C LYS A 106 8.857 24.663 3.429 1.00 0.55 C ATOM 262 O LYS A 106 9.395 25.352 4.273 1.00 0.63 O ATOM 263 CB LYS A 106 10.498 23.587 1.854 1.00 0.87 C ATOM 264 CG LYS A 106 11.857 23.922 2.472 1.00 1.21 C ATOM 265 CD LYS A 106 12.643 24.824 1.518 1.00 1.61 C ATOM 266 CE LYS A 106 14.139 24.532 1.655 1.00 1.77 C ATOM 267 NZ LYS A 106 14.271 23.072 1.393 1.00 2.14 N ATOM 0 H LYS A 106 8.646 22.148 1.403 1.00 0.59 H new ATOM 0 HA LYS A 106 9.932 22.879 3.842 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.582 22.703 1.222 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.166 24.405 1.215 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.719 24.421 3.431 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.415 23.006 2.667 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.321 24.653 0.491 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.444 25.872 1.744 1.00 1.61 H new ATOM 0 HE2 LYS A 106 14.722 25.115 0.942 1.00 1.77 H new ATOM 0 HE3 LYS A 106 14.502 24.789 2.650 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 15.158 22.890 0.881 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.281 22.557 2.296 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 13.467 22.748 0.818 1.00 2.14 H new ATOM 281 N ASN A 107 7.728 25.020 2.881 1.00 0.48 N ATOM 282 CA ASN A 107 7.072 26.295 3.287 1.00 0.50 C ATOM 283 C ASN A 107 6.351 26.114 4.626 1.00 0.58 C ATOM 284 O ASN A 107 6.028 27.070 5.302 1.00 0.70 O ATOM 285 CB ASN A 107 6.071 26.594 2.171 1.00 0.54 C ATOM 286 CG ASN A 107 5.730 28.085 2.174 1.00 0.70 C ATOM 287 OD1 ASN A 107 6.407 28.874 2.802 1.00 1.00 O ATOM 288 ND2 ASN A 107 4.701 28.508 1.491 1.00 0.78 N ATOM 0 H ASN A 107 7.231 24.484 2.170 1.00 0.48 H new ATOM 0 HA ASN A 107 7.787 27.107 3.421 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.490 26.308 1.206 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.166 26.003 2.313 1.00 0.54 H new ATOM 0 HD21 ASN A 107 4.466 29.501 1.485 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.132 27.846 0.963 1.00 0.78 H new ATOM 295 N ALA A 108 6.098 24.894 5.012 1.00 0.65 N ATOM 296 CA ALA A 108 5.401 24.648 6.307 1.00 0.84 C ATOM 297 C ALA A 108 4.048 25.365 6.330 1.00 0.78 C ATOM 298 O ALA A 108 3.845 26.304 7.074 1.00 0.96 O ATOM 299 CB ALA A 108 6.330 25.229 7.372 1.00 1.03 C ATOM 0 H ALA A 108 6.344 24.055 4.486 1.00 0.65 H new ATOM 0 HA ALA A 108 5.200 23.589 6.471 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.887 25.087 8.358 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.293 24.721 7.331 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.473 26.294 7.188 1.00 1.03 H new ATOM 305 N ASP A 109 3.120 24.927 5.526 1.00 0.73 N ATOM 306 CA ASP A 109 1.781 25.582 5.507 1.00 0.74 C ATOM 307 C ASP A 109 0.679 24.524 5.405 1.00 0.78 C ATOM 308 O ASP A 109 -0.484 24.839 5.243 1.00 0.96 O ATOM 309 CB ASP A 109 1.793 26.470 4.262 1.00 0.72 C ATOM 310 CG ASP A 109 1.802 25.591 3.011 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.354 24.506 3.080 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.258 26.018 2.006 1.00 1.95 O ATOM 0 H ASP A 109 3.230 24.144 4.881 1.00 0.73 H new ATOM 0 HA ASP A 109 1.587 26.156 6.413 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.918 27.120 4.257 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.670 27.117 4.272 1.00 0.72 H new ATOM 317 N GLY A 110 1.035 23.272 5.499 1.00 0.76 N ATOM 318 CA GLY A 110 0.009 22.195 5.408 1.00 0.85 C ATOM 319 C GLY A 110 -0.080 21.691 3.966 1.00 0.70 C ATOM 320 O GLY A 110 -0.492 20.576 3.713 1.00 0.73 O ATOM 0 H GLY A 110 1.993 22.948 5.635 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.269 21.374 6.076 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.960 22.574 5.732 1.00 0.85 H new ATOM 324 N TYR A 111 0.301 22.502 3.018 1.00 0.68 N ATOM 325 CA TYR A 111 0.234 22.066 1.593 1.00 0.60 C ATOM 326 C TYR A 111 1.564 22.353 0.889 1.00 0.58 C ATOM 327 O TYR A 111 2.511 22.813 1.494 1.00 0.83 O ATOM 328 CB TYR A 111 -0.889 22.902 0.975 1.00 0.68 C ATOM 329 CG TYR A 111 -2.143 22.761 1.806 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.218 23.363 3.068 1.00 0.78 C ATOM 331 CD2 TYR A 111 -3.230 22.029 1.315 1.00 0.71 C ATOM 332 CE1 TYR A 111 -3.380 23.233 3.838 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.392 21.899 2.084 1.00 0.78 C ATOM 334 CZ TYR A 111 -4.466 22.500 3.346 1.00 0.80 C ATOM 335 OH TYR A 111 -5.611 22.372 4.106 1.00 0.90 O ATOM 0 H TYR A 111 0.656 23.447 3.167 1.00 0.68 H new ATOM 0 HA TYR A 111 0.047 20.996 1.497 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.590 23.949 0.924 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.079 22.575 -0.047 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.379 23.928 3.447 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -3.172 21.564 0.342 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -3.438 23.698 4.811 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -5.231 21.335 1.704 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.269 21.834 3.618 1.00 0.90 H new ATOM 345 N ILE A 112 1.640 22.084 -0.385 1.00 0.50 N ATOM 346 CA ILE A 112 2.908 22.343 -1.126 1.00 0.50 C ATOM 347 C ILE A 112 2.630 23.223 -2.349 1.00 0.49 C ATOM 348 O ILE A 112 1.623 23.081 -3.013 1.00 0.66 O ATOM 349 CB ILE A 112 3.407 20.959 -1.550 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.090 20.282 -0.359 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.410 21.101 -2.699 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.854 19.045 -0.838 1.00 0.66 C ATOM 0 H ILE A 112 0.881 21.697 -0.945 1.00 0.50 H new ATOM 0 HA ILE A 112 3.646 22.869 -0.521 1.00 0.50 H new ATOM 0 HB ILE A 112 2.563 20.355 -1.882 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.774 20.979 0.125 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.346 19.997 0.385 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.763 20.114 -2.998 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.926 21.585 -3.547 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.256 21.705 -2.371 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.339 18.565 0.012 1.00 0.66 H new ATOM 0 HD12 ILE A 112 4.159 18.345 -1.302 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.609 19.343 -1.566 1.00 0.66 H new ATOM 364 N ASP A 113 3.518 24.132 -2.650 1.00 0.47 N ATOM 365 CA ASP A 113 3.307 25.022 -3.828 1.00 0.50 C ATOM 366 C ASP A 113 4.255 24.631 -4.965 1.00 0.50 C ATOM 367 O ASP A 113 5.334 24.120 -4.740 1.00 0.57 O ATOM 368 CB ASP A 113 3.626 26.429 -3.322 1.00 0.60 C ATOM 369 CG ASP A 113 2.829 27.456 -4.129 1.00 1.17 C ATOM 370 OD1 ASP A 113 3.332 27.898 -5.149 1.00 1.85 O ATOM 371 OD2 ASP A 113 1.730 27.783 -3.712 1.00 1.77 O ATOM 0 H ASP A 113 4.381 24.297 -2.131 1.00 0.47 H new ATOM 0 HA ASP A 113 2.294 24.951 -4.223 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.378 26.511 -2.264 1.00 0.60 H new ATOM 0 HB3 ASP A 113 4.694 26.627 -3.416 1.00 0.60 H new ATOM 376 N LEU A 114 3.859 24.868 -6.185 1.00 0.52 N ATOM 377 CA LEU A 114 4.735 24.511 -7.338 1.00 0.57 C ATOM 378 C LEU A 114 6.157 25.026 -7.105 1.00 0.63 C ATOM 379 O LEU A 114 7.126 24.344 -7.372 1.00 0.80 O ATOM 380 CB LEU A 114 4.104 25.207 -8.543 1.00 0.62 C ATOM 381 CG LEU A 114 2.850 24.445 -8.973 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.725 25.438 -9.269 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.154 23.631 -10.232 1.00 0.81 C ATOM 0 H LEU A 114 2.966 25.294 -6.434 1.00 0.52 H new ATOM 0 HA LEU A 114 4.809 23.433 -7.481 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.848 26.236 -8.289 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.817 25.249 -9.366 1.00 0.62 H new ATOM 0 HG LEU A 114 2.541 23.774 -8.171 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.831 24.895 -9.576 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.507 26.019 -8.373 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.034 26.110 -10.070 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.260 23.088 -10.539 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.464 24.302 -11.033 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.955 22.922 -10.022 1.00 0.81 H new ATOM 395 N ASP A 115 6.290 26.226 -6.610 1.00 0.61 N ATOM 396 CA ASP A 115 7.651 26.782 -6.363 1.00 0.71 C ATOM 397 C ASP A 115 8.390 25.928 -5.328 1.00 0.65 C ATOM 398 O ASP A 115 9.597 25.988 -5.208 1.00 0.89 O ATOM 399 CB ASP A 115 7.412 28.194 -5.824 1.00 0.80 C ATOM 400 CG ASP A 115 6.918 29.098 -6.956 1.00 1.17 C ATOM 401 OD1 ASP A 115 7.731 29.479 -7.782 1.00 1.76 O ATOM 402 OD2 ASP A 115 5.734 29.395 -6.975 1.00 1.76 O ATOM 0 H ASP A 115 5.517 26.845 -6.366 1.00 0.61 H new ATOM 0 HA ASP A 115 8.264 26.790 -7.264 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.677 28.168 -5.019 1.00 0.80 H new ATOM 0 HB3 ASP A 115 8.334 28.594 -5.401 1.00 0.80 H new ATOM 407 N GLU A 116 7.674 25.134 -4.579 1.00 0.51 N ATOM 408 CA GLU A 116 8.338 24.277 -3.553 1.00 0.48 C ATOM 409 C GLU A 116 8.567 22.867 -4.107 1.00 0.49 C ATOM 410 O GLU A 116 9.428 22.143 -3.650 1.00 0.63 O ATOM 411 CB GLU A 116 7.361 24.236 -2.378 1.00 0.48 C ATOM 412 CG GLU A 116 6.909 25.657 -2.037 1.00 0.57 C ATOM 413 CD GLU A 116 5.837 25.604 -0.946 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.642 24.538 -0.386 1.00 1.36 O ATOM 415 OE2 GLU A 116 5.230 26.631 -0.690 1.00 1.19 O ATOM 0 H GLU A 116 6.660 25.041 -4.632 1.00 0.51 H new ATOM 0 HA GLU A 116 9.313 24.666 -3.260 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.498 23.620 -2.631 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.837 23.777 -1.512 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.759 26.249 -1.698 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.514 26.148 -2.927 1.00 0.57 H new ATOM 422 N LEU A 117 7.799 22.474 -5.086 1.00 0.48 N ATOM 423 CA LEU A 117 7.968 21.111 -5.668 1.00 0.52 C ATOM 424 C LEU A 117 9.294 21.015 -6.432 1.00 0.58 C ATOM 425 O LEU A 117 9.716 19.946 -6.826 1.00 0.69 O ATOM 426 CB LEU A 117 6.785 20.940 -6.623 1.00 0.55 C ATOM 427 CG LEU A 117 5.491 20.803 -5.817 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.310 21.270 -6.669 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.286 19.338 -5.423 1.00 0.53 C ATOM 0 H LEU A 117 7.061 23.038 -5.509 1.00 0.48 H new ATOM 0 HA LEU A 117 7.991 20.337 -4.901 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.719 21.797 -7.293 1.00 0.55 H new ATOM 0 HB3 LEU A 117 6.932 20.058 -7.246 1.00 0.55 H new ATOM 0 HG LEU A 117 5.557 21.415 -4.917 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.388 21.173 -6.097 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.454 22.313 -6.951 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.245 20.657 -7.568 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.364 19.241 -4.849 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.220 18.725 -6.322 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.128 19.003 -4.817 1.00 0.53 H new ATOM 441 N LYS A 118 9.948 22.123 -6.651 1.00 0.59 N ATOM 442 CA LYS A 118 11.241 22.091 -7.396 1.00 0.69 C ATOM 443 C LYS A 118 12.423 21.951 -6.431 1.00 0.64 C ATOM 444 O LYS A 118 13.502 21.548 -6.815 1.00 0.73 O ATOM 445 CB LYS A 118 11.304 23.431 -8.129 1.00 0.83 C ATOM 446 CG LYS A 118 11.442 24.565 -7.111 1.00 0.99 C ATOM 447 CD LYS A 118 10.892 25.859 -7.712 1.00 1.35 C ATOM 448 CE LYS A 118 11.896 26.419 -8.721 1.00 1.51 C ATOM 449 NZ LYS A 118 11.359 27.757 -9.098 1.00 1.99 N ATOM 0 H LYS A 118 9.644 23.048 -6.347 1.00 0.59 H new ATOM 0 HA LYS A 118 11.297 21.243 -8.079 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.149 23.441 -8.817 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.404 23.573 -8.727 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.901 24.317 -6.198 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.489 24.695 -6.835 1.00 0.99 H new ATOM 0 HD2 LYS A 118 9.937 25.668 -8.201 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.707 26.589 -6.924 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.891 26.502 -8.283 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.984 25.770 -9.592 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.995 28.204 -9.789 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.414 27.646 -9.518 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.293 28.356 -8.250 1.00 1.99 H new ATOM 463 N ILE A 119 12.233 22.282 -5.183 1.00 0.68 N ATOM 464 CA ILE A 119 13.355 22.165 -4.205 1.00 0.74 C ATOM 465 C ILE A 119 13.362 20.770 -3.570 1.00 0.75 C ATOM 466 O ILE A 119 14.385 20.284 -3.130 1.00 0.85 O ATOM 467 CB ILE A 119 13.075 23.242 -3.153 1.00 0.98 C ATOM 468 CG1 ILE A 119 13.498 24.607 -3.700 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.865 22.940 -1.878 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.260 25.485 -3.893 1.00 1.06 C ATOM 0 H ILE A 119 11.354 22.627 -4.798 1.00 0.68 H new ATOM 0 HA ILE A 119 14.330 22.300 -4.673 1.00 0.74 H new ATOM 0 HB ILE A 119 12.010 23.251 -2.922 1.00 0.98 H new ATOM 0 HG12 ILE A 119 14.194 25.087 -3.012 1.00 1.22 H new ATOM 0 HG13 ILE A 119 14.021 24.484 -4.648 1.00 1.22 H new ATOM 0 HG21 ILE A 119 13.662 23.710 -1.133 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.566 21.968 -1.486 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.931 22.927 -2.105 1.00 1.08 H new ATOM 0 HD11 ILE A 119 12.561 26.458 -4.283 1.00 1.06 H new ATOM 0 HD12 ILE A 119 11.581 25.006 -4.598 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.755 25.618 -2.936 1.00 1.06 H new ATOM 482 N MET A 120 12.230 20.124 -3.522 1.00 0.85 N ATOM 483 CA MET A 120 12.172 18.761 -2.917 1.00 1.01 C ATOM 484 C MET A 120 13.073 17.798 -3.699 1.00 0.95 C ATOM 485 O MET A 120 13.460 16.757 -3.207 1.00 1.11 O ATOM 486 CB MET A 120 10.701 18.347 -3.028 1.00 1.17 C ATOM 487 CG MET A 120 10.570 16.827 -2.891 1.00 1.52 C ATOM 488 SD MET A 120 10.904 16.341 -1.181 1.00 1.88 S ATOM 489 CE MET A 120 9.410 15.351 -0.938 1.00 1.43 C ATOM 0 H MET A 120 11.342 20.480 -3.875 1.00 0.85 H new ATOM 0 HA MET A 120 12.521 18.745 -1.884 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.116 18.842 -2.252 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.296 18.670 -3.987 1.00 1.17 H new ATOM 0 HG2 MET A 120 9.568 16.511 -3.180 1.00 1.52 H new ATOM 0 HG3 MET A 120 11.268 16.330 -3.564 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.799 15.800 -0.155 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.841 15.317 -1.867 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.688 14.338 -0.646 1.00 1.43 H new ATOM 499 N LEU A 121 13.407 18.138 -4.914 1.00 0.87 N ATOM 500 CA LEU A 121 14.279 17.243 -5.730 1.00 0.95 C ATOM 501 C LEU A 121 15.755 17.470 -5.386 1.00 0.87 C ATOM 502 O LEU A 121 16.617 16.711 -5.780 1.00 0.97 O ATOM 503 CB LEU A 121 13.998 17.642 -7.182 1.00 1.09 C ATOM 504 CG LEU A 121 12.925 16.726 -7.780 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.550 15.382 -8.156 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.806 16.499 -6.757 1.00 1.80 C ATOM 0 H LEU A 121 13.114 18.998 -5.378 1.00 0.87 H new ATOM 0 HA LEU A 121 14.075 16.188 -5.545 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.667 18.680 -7.225 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.914 17.575 -7.770 1.00 1.09 H new ATOM 0 HG LEU A 121 12.509 17.197 -8.671 1.00 1.41 H new ATOM 0 HD11 LEU A 121 12.786 14.732 -8.581 1.00 2.03 H new ATOM 0 HD12 LEU A 121 14.340 15.541 -8.890 1.00 2.03 H new ATOM 0 HD13 LEU A 121 13.970 14.914 -7.266 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.046 15.847 -7.188 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.220 16.033 -5.863 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.356 17.456 -6.492 1.00 1.80 H new ATOM 518 N GLN A 122 16.055 18.512 -4.659 1.00 0.82 N ATOM 519 CA GLN A 122 17.478 18.787 -4.299 1.00 0.95 C ATOM 520 C GLN A 122 18.174 17.497 -3.858 1.00 1.04 C ATOM 521 O GLN A 122 19.376 17.358 -3.975 1.00 1.19 O ATOM 522 CB GLN A 122 17.411 19.781 -3.139 1.00 1.14 C ATOM 523 CG GLN A 122 18.640 20.693 -3.176 1.00 1.42 C ATOM 524 CD GLN A 122 19.579 20.333 -2.023 1.00 1.85 C ATOM 525 OE1 GLN A 122 20.659 19.820 -2.241 1.00 2.44 O ATOM 526 NE2 GLN A 122 19.212 20.583 -0.796 1.00 2.28 N ATOM 0 H GLN A 122 15.378 19.185 -4.299 1.00 0.82 H new ATOM 0 HA GLN A 122 18.045 19.181 -5.142 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.501 20.377 -3.209 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.370 19.246 -2.190 1.00 1.14 H new ATOM 0 HG2 GLN A 122 19.158 20.584 -4.129 1.00 1.42 H new ATOM 0 HG3 GLN A 122 18.334 21.736 -3.097 1.00 1.42 H new ATOM 0 HE21 GLN A 122 18.306 21.014 -0.612 1.00 2.28 H new ATOM 0 HE22 GLN A 122 19.831 20.348 -0.020 1.00 2.28 H new ATOM 535 N ALA A 123 17.431 16.554 -3.349 1.00 1.09 N ATOM 536 CA ALA A 123 18.052 15.275 -2.899 1.00 1.33 C ATOM 537 C ALA A 123 18.801 14.611 -4.057 1.00 1.38 C ATOM 538 O ALA A 123 19.610 13.727 -3.859 1.00 1.62 O ATOM 539 CB ALA A 123 16.881 14.404 -2.446 1.00 1.45 C ATOM 0 H ALA A 123 16.420 16.613 -3.225 1.00 1.09 H new ATOM 0 HA ALA A 123 18.778 15.428 -2.101 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.256 13.441 -2.099 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.351 14.901 -1.634 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.199 14.247 -3.282 1.00 1.45 H new ATOM 545 N THR A 124 18.539 15.030 -5.264 1.00 1.29 N ATOM 546 CA THR A 124 19.238 14.422 -6.433 1.00 1.47 C ATOM 547 C THR A 124 19.807 15.519 -7.336 1.00 1.44 C ATOM 548 O THR A 124 20.089 15.296 -8.497 1.00 1.72 O ATOM 549 CB THR A 124 18.161 13.625 -7.170 1.00 1.56 C ATOM 550 OG1 THR A 124 17.272 14.523 -7.819 1.00 2.16 O ATOM 551 CG2 THR A 124 17.384 12.766 -6.170 1.00 1.92 C ATOM 0 H THR A 124 17.872 15.767 -5.492 1.00 1.29 H new ATOM 0 HA THR A 124 20.075 13.792 -6.132 1.00 1.47 H new ATOM 0 HB THR A 124 18.630 12.978 -7.911 1.00 1.56 H new ATOM 0 HG1 THR A 124 17.030 15.246 -7.203 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.617 12.199 -6.697 1.00 1.92 H new ATOM 0 HG22 THR A 124 18.068 12.078 -5.673 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.913 13.409 -5.426 1.00 1.92 H new ATOM 559 N GLY A 125 19.974 16.702 -6.813 1.00 1.26 N ATOM 560 CA GLY A 125 20.521 17.813 -7.642 1.00 1.32 C ATOM 561 C GLY A 125 19.367 18.574 -8.297 1.00 1.26 C ATOM 562 O GLY A 125 19.549 19.651 -8.830 1.00 1.63 O ATOM 0 H GLY A 125 19.755 16.948 -5.847 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.111 18.488 -7.022 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.190 17.416 -8.406 1.00 1.32 H new ATOM 566 N GLU A 126 18.183 18.018 -8.257 1.00 1.02 N ATOM 567 CA GLU A 126 16.998 18.693 -8.872 1.00 1.08 C ATOM 568 C GLU A 126 17.393 19.436 -10.150 1.00 0.89 C ATOM 569 O GLU A 126 17.292 20.644 -10.229 1.00 0.87 O ATOM 570 CB GLU A 126 16.497 19.681 -7.815 1.00 1.34 C ATOM 571 CG GLU A 126 17.624 20.640 -7.423 1.00 1.45 C ATOM 572 CD GLU A 126 17.053 21.777 -6.576 1.00 1.61 C ATOM 573 OE1 GLU A 126 16.225 21.497 -5.725 1.00 2.16 O ATOM 574 OE2 GLU A 126 17.456 22.909 -6.790 1.00 2.09 O ATOM 0 H GLU A 126 17.984 17.118 -7.821 1.00 1.02 H new ATOM 0 HA GLU A 126 16.231 17.972 -9.154 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.648 20.243 -8.204 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.146 19.140 -6.936 1.00 1.34 H new ATOM 0 HG2 GLU A 126 18.392 20.106 -6.864 1.00 1.45 H new ATOM 0 HG3 GLU A 126 18.101 21.042 -8.317 1.00 1.45 H new ATOM 581 N THR A 127 17.832 18.729 -11.155 1.00 1.09 N ATOM 582 CA THR A 127 18.217 19.414 -12.420 1.00 1.21 C ATOM 583 C THR A 127 17.221 19.065 -13.526 1.00 1.29 C ATOM 584 O THR A 127 17.364 18.077 -14.219 1.00 1.60 O ATOM 585 CB THR A 127 19.609 18.877 -12.759 1.00 1.57 C ATOM 586 OG1 THR A 127 19.538 17.471 -12.952 1.00 1.91 O ATOM 587 CG2 THR A 127 20.572 19.189 -11.613 1.00 2.18 C ATOM 0 H THR A 127 17.940 17.715 -11.155 1.00 1.09 H new ATOM 0 HA THR A 127 18.217 20.499 -12.320 1.00 1.21 H new ATOM 0 HB THR A 127 19.970 19.352 -13.672 1.00 1.57 H new ATOM 0 HG1 THR A 127 18.818 17.263 -13.583 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.563 18.806 -11.856 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.626 20.268 -11.467 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.214 18.716 -10.698 1.00 2.18 H new ATOM 595 N ILE A 128 16.214 19.874 -13.695 1.00 1.08 N ATOM 596 CA ILE A 128 15.206 19.605 -14.755 1.00 1.20 C ATOM 597 C ILE A 128 14.846 20.909 -15.470 1.00 1.18 C ATOM 598 O ILE A 128 15.077 21.988 -14.960 1.00 1.15 O ATOM 599 CB ILE A 128 13.996 19.039 -14.013 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.473 20.082 -13.022 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.411 17.777 -13.254 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.451 19.433 -12.086 1.00 2.03 C ATOM 0 H ILE A 128 16.045 20.714 -13.141 1.00 1.08 H new ATOM 0 HA ILE A 128 15.570 18.915 -15.516 1.00 1.20 H new ATOM 0 HB ILE A 128 13.211 18.792 -14.728 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.299 20.496 -12.444 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.014 20.911 -13.560 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.549 17.371 -12.724 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.785 17.035 -13.959 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.194 18.024 -12.538 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.080 20.177 -11.381 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.619 19.041 -12.671 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.925 18.619 -11.538 1.00 2.03 H new ATOM 614 N THR A 129 14.281 20.825 -16.640 1.00 1.34 N ATOM 615 CA THR A 129 13.908 22.068 -17.372 1.00 1.42 C ATOM 616 C THR A 129 12.748 22.765 -16.656 1.00 1.16 C ATOM 617 O THR A 129 11.845 22.127 -16.154 1.00 0.97 O ATOM 618 CB THR A 129 13.477 21.598 -18.763 1.00 1.64 C ATOM 619 OG1 THR A 129 12.988 22.706 -19.505 1.00 2.23 O ATOM 620 CG2 THR A 129 12.377 20.545 -18.629 1.00 2.28 C ATOM 0 H THR A 129 14.061 19.953 -17.121 1.00 1.34 H new ATOM 0 HA THR A 129 14.730 22.782 -17.424 1.00 1.42 H new ATOM 0 HB THR A 129 14.332 21.163 -19.281 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.713 22.407 -20.397 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.071 20.211 -19.620 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.754 19.695 -18.060 1.00 2.28 H new ATOM 0 HG23 THR A 129 11.521 20.977 -18.111 1.00 2.28 H new ATOM 628 N GLU A 130 12.766 24.069 -16.601 1.00 1.31 N ATOM 629 CA GLU A 130 11.662 24.800 -15.913 1.00 1.28 C ATOM 630 C GLU A 130 10.307 24.205 -16.309 1.00 1.16 C ATOM 631 O GLU A 130 9.388 24.144 -15.516 1.00 1.21 O ATOM 632 CB GLU A 130 11.781 26.244 -16.404 1.00 1.69 C ATOM 633 CG GLU A 130 10.487 26.999 -16.097 1.00 2.05 C ATOM 634 CD GLU A 130 10.755 28.504 -16.113 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.678 28.915 -16.797 1.00 2.70 O ATOM 636 OE2 GLU A 130 10.033 29.222 -15.440 1.00 3.03 O ATOM 0 H GLU A 130 13.495 24.659 -17.001 1.00 1.31 H new ATOM 0 HA GLU A 130 11.732 24.732 -14.827 1.00 1.28 H new ATOM 0 HB2 GLU A 130 12.624 26.735 -15.919 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.977 26.259 -17.476 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.724 26.747 -16.834 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.101 26.698 -15.123 1.00 2.05 H new ATOM 643 N ASP A 131 10.178 23.765 -17.532 1.00 1.18 N ATOM 644 CA ASP A 131 8.885 23.174 -17.985 1.00 1.19 C ATOM 645 C ASP A 131 8.527 21.954 -17.130 1.00 1.07 C ATOM 646 O ASP A 131 7.380 21.563 -17.040 1.00 1.14 O ATOM 647 CB ASP A 131 9.130 22.760 -19.437 1.00 1.44 C ATOM 648 CG ASP A 131 8.398 23.724 -20.373 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.495 24.400 -19.907 1.00 1.91 O ATOM 650 OD2 ASP A 131 8.752 23.770 -21.539 1.00 2.07 O ATOM 0 H ASP A 131 10.914 23.789 -18.238 1.00 1.18 H new ATOM 0 HA ASP A 131 8.056 23.875 -17.893 1.00 1.19 H new ATOM 0 HB2 ASP A 131 10.198 22.767 -19.653 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.779 21.741 -19.600 1.00 1.44 H new ATOM 655 N ASP A 132 9.497 21.349 -16.502 1.00 1.00 N ATOM 656 CA ASP A 132 9.207 20.156 -15.655 1.00 1.03 C ATOM 657 C ASP A 132 8.725 20.594 -14.269 1.00 0.88 C ATOM 658 O ASP A 132 8.181 19.811 -13.515 1.00 1.03 O ATOM 659 CB ASP A 132 10.539 19.411 -15.548 1.00 1.13 C ATOM 660 CG ASP A 132 10.480 18.132 -16.387 1.00 1.39 C ATOM 661 OD1 ASP A 132 9.468 17.917 -17.034 1.00 1.99 O ATOM 662 OD2 ASP A 132 11.448 17.390 -16.368 1.00 1.79 O ATOM 0 H ASP A 132 10.477 21.628 -16.538 1.00 1.00 H new ATOM 0 HA ASP A 132 8.423 19.530 -16.081 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.353 20.048 -15.895 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.748 19.166 -14.507 1.00 1.13 H new ATOM 667 N ILE A 133 8.920 21.838 -13.925 1.00 0.75 N ATOM 668 CA ILE A 133 8.472 22.320 -12.586 1.00 0.77 C ATOM 669 C ILE A 133 6.955 22.158 -12.443 1.00 0.70 C ATOM 670 O ILE A 133 6.469 21.604 -11.478 1.00 0.82 O ATOM 671 CB ILE A 133 8.860 23.798 -12.547 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.375 23.929 -12.716 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.445 24.399 -11.203 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.079 23.269 -11.528 1.00 1.00 C ATOM 0 H ILE A 133 9.369 22.541 -14.512 1.00 0.75 H new ATOM 0 HA ILE A 133 8.928 21.757 -11.772 1.00 0.77 H new ATOM 0 HB ILE A 133 8.355 24.329 -13.354 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.690 23.458 -13.647 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.655 24.980 -12.780 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.722 25.453 -11.175 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.366 24.303 -11.079 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.951 23.869 -10.396 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.158 23.362 -11.647 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.773 23.760 -10.605 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.808 22.214 -11.485 1.00 1.00 H new ATOM 686 N GLU A 134 6.204 22.636 -13.398 1.00 0.61 N ATOM 687 CA GLU A 134 4.721 22.506 -13.315 1.00 0.64 C ATOM 688 C GLU A 134 4.288 21.119 -13.801 1.00 0.64 C ATOM 689 O GLU A 134 3.142 20.735 -13.679 1.00 0.76 O ATOM 690 CB GLU A 134 4.178 23.597 -14.239 1.00 0.73 C ATOM 691 CG GLU A 134 4.576 24.972 -13.695 1.00 0.89 C ATOM 692 CD GLU A 134 5.579 25.628 -14.647 1.00 1.21 C ATOM 693 OE1 GLU A 134 5.253 25.770 -15.814 1.00 1.87 O ATOM 694 OE2 GLU A 134 6.655 25.980 -14.191 1.00 1.86 O ATOM 0 H GLU A 134 6.553 23.110 -14.231 1.00 0.61 H new ATOM 0 HA GLU A 134 4.349 22.615 -12.296 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.572 23.465 -15.246 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.093 23.522 -14.309 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.693 25.602 -13.589 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.015 24.869 -12.702 1.00 0.89 H new ATOM 701 N GLU A 135 5.201 20.368 -14.357 1.00 0.59 N ATOM 702 CA GLU A 135 4.851 19.007 -14.860 1.00 0.67 C ATOM 703 C GLU A 135 4.783 18.001 -13.705 1.00 0.74 C ATOM 704 O GLU A 135 4.335 16.884 -13.872 1.00 0.91 O ATOM 705 CB GLU A 135 5.987 18.640 -15.817 1.00 0.72 C ATOM 706 CG GLU A 135 5.522 17.531 -16.763 1.00 1.16 C ATOM 707 CD GLU A 135 5.122 18.139 -18.108 1.00 1.56 C ATOM 708 OE1 GLU A 135 5.894 18.924 -18.634 1.00 2.29 O ATOM 709 OE2 GLU A 135 4.050 17.811 -18.589 1.00 2.03 O ATOM 0 H GLU A 135 6.176 20.639 -14.485 1.00 0.59 H new ATOM 0 HA GLU A 135 3.876 18.990 -15.346 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.292 19.516 -16.389 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.859 18.309 -15.253 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.320 16.802 -16.905 1.00 1.16 H new ATOM 0 HG3 GLU A 135 4.677 16.998 -16.327 1.00 1.16 H new ATOM 716 N LEU A 136 5.230 18.378 -12.538 1.00 0.73 N ATOM 717 CA LEU A 136 5.192 17.429 -11.385 1.00 0.87 C ATOM 718 C LEU A 136 3.902 17.608 -10.577 1.00 0.81 C ATOM 719 O LEU A 136 3.511 16.744 -9.819 1.00 1.00 O ATOM 720 CB LEU A 136 6.408 17.793 -10.532 1.00 0.99 C ATOM 721 CG LEU A 136 7.657 17.116 -11.099 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.888 17.965 -10.777 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.815 15.731 -10.467 1.00 1.75 C ATOM 0 H LEU A 136 5.619 19.298 -12.332 1.00 0.73 H new ATOM 0 HA LEU A 136 5.214 16.390 -11.714 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.544 18.874 -10.518 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.248 17.478 -9.501 1.00 0.99 H new ATOM 0 HG LEU A 136 7.558 17.015 -12.180 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.778 17.483 -11.181 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.776 18.953 -11.224 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.988 18.065 -9.696 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.705 15.247 -10.870 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.915 15.833 -9.386 1.00 1.75 H new ATOM 0 HD23 LEU A 136 6.938 15.125 -10.694 1.00 1.75 H new ATOM 735 N MET A 137 3.242 18.723 -10.725 1.00 0.67 N ATOM 736 CA MET A 137 1.985 18.950 -9.953 1.00 0.71 C ATOM 737 C MET A 137 0.837 18.116 -10.529 1.00 0.68 C ATOM 738 O MET A 137 0.044 17.553 -9.800 1.00 0.70 O ATOM 739 CB MET A 137 1.691 20.443 -10.103 1.00 0.82 C ATOM 740 CG MET A 137 0.329 20.759 -9.481 1.00 0.99 C ATOM 741 SD MET A 137 0.336 22.454 -8.845 1.00 0.94 S ATOM 742 CE MET A 137 0.748 22.050 -7.130 1.00 0.53 C ATOM 0 H MET A 137 3.516 19.485 -11.345 1.00 0.67 H new ATOM 0 HA MET A 137 2.090 18.655 -8.909 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.470 21.029 -9.616 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.695 20.721 -11.157 1.00 0.82 H new ATOM 0 HG2 MET A 137 -0.459 20.641 -10.225 1.00 0.99 H new ATOM 0 HG3 MET A 137 0.114 20.057 -8.675 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.294 22.784 -6.464 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.368 21.057 -6.889 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.830 22.065 -7.003 1.00 0.53 H new ATOM 752 N LYS A 138 0.736 18.033 -11.827 1.00 0.76 N ATOM 753 CA LYS A 138 -0.369 17.235 -12.437 1.00 0.82 C ATOM 754 C LYS A 138 -0.443 15.849 -11.790 1.00 0.72 C ATOM 755 O LYS A 138 -1.473 15.205 -11.801 1.00 0.84 O ATOM 756 CB LYS A 138 -0.006 17.117 -13.917 1.00 0.99 C ATOM 757 CG LYS A 138 1.347 16.418 -14.059 1.00 1.57 C ATOM 758 CD LYS A 138 1.269 15.378 -15.178 1.00 2.09 C ATOM 759 CE LYS A 138 2.676 14.874 -15.504 1.00 2.74 C ATOM 760 NZ LYS A 138 2.583 13.390 -15.412 1.00 3.43 N ATOM 0 H LYS A 138 1.368 18.481 -12.491 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.342 17.704 -12.293 1.00 0.82 H new ATOM 0 HB2 LYS A 138 -0.775 16.554 -14.447 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.035 18.107 -14.372 1.00 0.99 H new ATOM 0 HG2 LYS A 138 2.124 17.149 -14.281 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.620 15.937 -13.120 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.635 14.546 -14.872 1.00 2.09 H new ATOM 0 HD3 LYS A 138 0.813 15.817 -16.066 1.00 2.09 H new ATOM 0 HE2 LYS A 138 2.988 15.189 -16.500 1.00 2.74 H new ATOM 0 HE3 LYS A 138 3.410 15.268 -14.801 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 3.497 12.968 -15.672 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 2.340 13.117 -14.438 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 1.846 13.047 -16.061 1.00 3.43 H new ATOM 774 N ASP A 139 0.640 15.386 -11.229 1.00 0.75 N ATOM 775 CA ASP A 139 0.629 14.042 -10.585 1.00 0.78 C ATOM 776 C ASP A 139 0.289 14.170 -9.098 1.00 0.70 C ATOM 777 O ASP A 139 -0.171 13.235 -8.473 1.00 0.81 O ATOM 778 CB ASP A 139 2.047 13.502 -10.768 1.00 0.97 C ATOM 779 CG ASP A 139 2.095 12.609 -12.009 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.451 12.953 -12.986 1.00 1.69 O ATOM 781 OD2 ASP A 139 2.773 11.596 -11.961 1.00 1.66 O ATOM 0 H ASP A 139 1.532 15.880 -11.189 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.118 13.380 -11.024 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.751 14.327 -10.873 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.349 12.935 -9.887 1.00 0.97 H new ATOM 786 N GLY A 140 0.511 15.322 -8.526 1.00 0.64 N ATOM 787 CA GLY A 140 0.199 15.506 -7.081 1.00 0.62 C ATOM 788 C GLY A 140 -1.047 16.380 -6.932 1.00 0.57 C ATOM 789 O GLY A 140 -1.557 16.569 -5.846 1.00 0.65 O ATOM 0 H GLY A 140 0.894 16.142 -8.996 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.035 14.538 -6.608 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.044 15.970 -6.572 1.00 0.62 H new ATOM 793 N ASP A 141 -1.544 16.914 -8.014 1.00 0.56 N ATOM 794 CA ASP A 141 -2.760 17.773 -7.927 1.00 0.56 C ATOM 795 C ASP A 141 -3.382 17.952 -9.314 1.00 0.58 C ATOM 796 O ASP A 141 -3.121 18.919 -10.003 1.00 0.64 O ATOM 797 CB ASP A 141 -2.262 19.114 -7.384 1.00 0.60 C ATOM 798 CG ASP A 141 -3.178 19.577 -6.250 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.220 18.900 -5.235 1.00 1.23 O ATOM 800 OD2 ASP A 141 -3.822 20.600 -6.414 1.00 1.14 O ATOM 0 H ASP A 141 -1.162 16.793 -8.952 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.528 17.336 -7.289 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.239 19.014 -7.022 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.247 19.858 -8.180 1.00 0.60 H new ATOM 805 N LYS A 142 -4.204 17.027 -9.729 1.00 0.62 N ATOM 806 CA LYS A 142 -4.844 17.145 -11.070 1.00 0.70 C ATOM 807 C LYS A 142 -5.665 18.434 -11.151 1.00 0.79 C ATOM 808 O LYS A 142 -6.029 18.885 -12.218 1.00 0.92 O ATOM 809 CB LYS A 142 -5.753 15.922 -11.185 1.00 0.79 C ATOM 810 CG LYS A 142 -5.181 14.957 -12.223 1.00 0.88 C ATOM 811 CD LYS A 142 -4.510 13.781 -11.512 1.00 1.37 C ATOM 812 CE LYS A 142 -5.370 12.526 -11.676 1.00 1.79 C ATOM 813 NZ LYS A 142 -4.551 11.607 -12.515 1.00 2.44 N ATOM 0 H LYS A 142 -4.460 16.195 -9.198 1.00 0.62 H new ATOM 0 HA LYS A 142 -4.111 17.184 -11.876 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.836 15.425 -10.218 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.758 16.229 -11.473 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -5.976 14.596 -12.876 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -4.459 15.473 -12.856 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -3.517 13.611 -11.927 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.379 14.009 -10.454 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -5.603 12.077 -10.710 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -6.320 12.758 -12.157 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -5.074 10.722 -12.672 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.351 12.058 -13.430 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.656 11.398 -12.029 1.00 2.44 H new ATOM 827 N ASN A 143 -5.959 19.030 -10.028 1.00 0.80 N ATOM 828 CA ASN A 143 -6.756 20.290 -10.039 1.00 0.95 C ATOM 829 C ASN A 143 -5.869 21.467 -10.450 1.00 0.92 C ATOM 830 O ASN A 143 -6.341 22.467 -10.955 1.00 1.08 O ATOM 831 CB ASN A 143 -7.243 20.466 -8.600 1.00 1.07 C ATOM 832 CG ASN A 143 -7.747 19.126 -8.061 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.633 18.522 -8.633 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.217 18.632 -6.976 1.00 1.70 N ATOM 0 H ASN A 143 -5.682 18.699 -9.104 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.584 20.249 -10.746 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.432 20.839 -7.974 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.041 21.207 -8.564 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.546 17.739 -6.608 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.473 19.138 -6.495 1.00 1.70 H new ATOM 841 N ASN A 144 -4.586 21.356 -10.238 1.00 0.86 N ATOM 842 CA ASN A 144 -3.667 22.467 -10.617 1.00 0.93 C ATOM 843 C ASN A 144 -4.120 23.777 -9.968 1.00 1.03 C ATOM 844 O ASN A 144 -4.066 24.831 -10.571 1.00 1.71 O ATOM 845 CB ASN A 144 -3.766 22.559 -12.139 1.00 1.08 C ATOM 846 CG ASN A 144 -2.839 23.663 -12.648 1.00 1.49 C ATOM 847 OD1 ASN A 144 -1.822 23.945 -12.045 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.149 24.305 -13.741 1.00 1.97 N ATOM 0 H ASN A 144 -4.134 20.543 -9.818 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.644 22.288 -10.284 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -3.493 21.605 -12.590 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -4.794 22.769 -12.435 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -2.538 25.044 -14.089 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.002 24.068 -14.247 1.00 1.97 H new ATOM 855 N ASP A 145 -4.566 23.721 -8.743 1.00 0.88 N ATOM 856 CA ASP A 145 -5.021 24.965 -8.058 1.00 0.92 C ATOM 857 C ASP A 145 -3.853 25.612 -7.308 1.00 0.91 C ATOM 858 O ASP A 145 -3.996 26.652 -6.696 1.00 1.07 O ATOM 859 CB ASP A 145 -6.097 24.504 -7.075 1.00 0.93 C ATOM 860 CG ASP A 145 -5.484 23.525 -6.072 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.294 23.275 -6.170 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.215 23.040 -5.223 1.00 2.06 O ATOM 0 H ASP A 145 -4.635 22.869 -8.187 1.00 0.88 H new ATOM 0 HA ASP A 145 -5.400 25.708 -8.760 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.518 25.362 -6.551 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.916 24.026 -7.613 1.00 0.93 H new ATOM 867 N GLY A 146 -2.700 25.004 -7.351 1.00 0.84 N ATOM 868 CA GLY A 146 -1.526 25.584 -6.640 1.00 0.92 C ATOM 869 C GLY A 146 -1.486 25.053 -5.206 1.00 0.66 C ATOM 870 O GLY A 146 -0.777 25.567 -4.363 1.00 0.74 O ATOM 0 H GLY A 146 -2.520 24.131 -7.847 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -0.605 25.323 -7.162 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -1.591 26.672 -6.635 1.00 0.92 H new ATOM 874 N ARG A 147 -2.241 24.028 -4.922 1.00 0.56 N ATOM 875 CA ARG A 147 -2.244 23.464 -3.542 1.00 0.54 C ATOM 876 C ARG A 147 -2.224 21.934 -3.596 1.00 0.46 C ATOM 877 O ARG A 147 -2.953 21.318 -4.348 1.00 0.45 O ATOM 878 CB ARG A 147 -3.544 23.965 -2.911 1.00 0.77 C ATOM 879 CG ARG A 147 -3.217 24.846 -1.703 1.00 1.39 C ATOM 880 CD ARG A 147 -4.377 24.802 -0.705 1.00 1.79 C ATOM 881 NE ARG A 147 -4.096 25.903 0.257 1.00 2.55 N ATOM 882 CZ ARG A 147 -4.918 26.138 1.245 1.00 2.87 C ATOM 883 NH1 ARG A 147 -5.995 25.414 1.391 1.00 3.10 N ATOM 884 NH2 ARG A 147 -4.663 27.102 2.088 1.00 3.37 N ATOM 0 H ARG A 147 -2.856 23.556 -5.585 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.370 23.771 -2.968 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.121 24.531 -3.642 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.160 23.121 -2.603 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.300 24.500 -1.226 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -3.041 25.872 -2.026 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.334 24.949 -1.205 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.426 23.838 -0.199 1.00 1.79 H new ATOM 0 HE ARG A 147 -3.259 26.475 0.144 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -6.197 24.662 0.732 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -6.634 25.601 2.164 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -3.823 27.670 1.975 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -5.303 27.287 2.860 1.00 3.37 H new ATOM 898 N ILE A 148 -1.391 21.317 -2.804 1.00 0.49 N ATOM 899 CA ILE A 148 -1.320 19.828 -2.809 1.00 0.44 C ATOM 900 C ILE A 148 -1.609 19.281 -1.408 1.00 0.46 C ATOM 901 O ILE A 148 -0.923 19.596 -0.455 1.00 0.63 O ATOM 902 CB ILE A 148 0.115 19.503 -3.227 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.352 19.987 -4.660 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.338 17.991 -3.160 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.758 19.586 -5.107 1.00 0.63 C ATOM 0 H ILE A 148 -0.756 21.779 -2.153 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.052 19.380 -3.481 1.00 0.44 H new ATOM 0 HB ILE A 148 0.810 20.004 -2.553 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.391 19.554 -5.329 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.237 21.070 -4.713 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.361 17.761 -3.458 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.170 17.643 -2.141 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.358 17.490 -3.833 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.927 19.930 -6.127 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.494 20.040 -4.444 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.856 18.501 -5.069 1.00 0.63 H new ATOM 917 N ASP A 149 -2.620 18.467 -1.276 1.00 0.48 N ATOM 918 CA ASP A 149 -2.955 17.902 0.062 1.00 0.53 C ATOM 919 C ASP A 149 -2.354 16.500 0.211 1.00 0.53 C ATOM 920 O ASP A 149 -1.612 16.040 -0.633 1.00 0.63 O ATOM 921 CB ASP A 149 -4.482 17.839 0.092 1.00 0.58 C ATOM 922 CG ASP A 149 -4.968 17.899 1.540 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.984 18.985 2.095 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.317 16.857 2.070 1.00 1.84 O ATOM 0 H ASP A 149 -3.229 18.168 -2.038 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.556 18.505 0.878 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.902 18.668 -0.478 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.828 16.920 -0.381 1.00 0.58 H new ATOM 929 N TYR A 150 -2.667 15.820 1.280 1.00 0.58 N ATOM 930 CA TYR A 150 -2.112 14.450 1.483 1.00 0.60 C ATOM 931 C TYR A 150 -2.790 13.454 0.537 1.00 0.59 C ATOM 932 O TYR A 150 -2.142 12.783 -0.241 1.00 0.63 O ATOM 933 CB TYR A 150 -2.428 14.108 2.940 1.00 0.73 C ATOM 934 CG TYR A 150 -2.047 12.673 3.221 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.039 12.055 2.471 1.00 1.15 C ATOM 936 CD2 TYR A 150 -2.704 11.960 4.231 1.00 1.22 C ATOM 937 CE1 TYR A 150 -0.686 10.725 2.732 1.00 1.43 C ATOM 938 CE2 TYR A 150 -2.352 10.630 4.492 1.00 1.56 C ATOM 939 CZ TYR A 150 -1.344 10.012 3.742 1.00 1.48 C ATOM 940 OH TYR A 150 -0.997 8.701 3.999 1.00 1.96 O ATOM 0 H TYR A 150 -3.283 16.153 2.022 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.043 14.403 1.275 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.883 14.776 3.607 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.490 14.258 3.137 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.533 12.604 1.691 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -3.482 12.436 4.809 1.00 1.22 H new ATOM 0 HE1 TYR A 150 0.093 10.250 2.155 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -2.858 10.081 5.272 1.00 1.56 H new ATOM 0 HH TYR A 150 -0.122 8.675 4.440 1.00 1.96 H new ATOM 950 N ASP A 151 -4.090 13.353 0.597 1.00 0.64 N ATOM 951 CA ASP A 151 -4.806 12.400 -0.301 1.00 0.70 C ATOM 952 C ASP A 151 -4.344 12.588 -1.748 1.00 0.63 C ATOM 953 O ASP A 151 -4.215 11.640 -2.498 1.00 0.77 O ATOM 954 CB ASP A 151 -6.285 12.760 -0.162 1.00 0.79 C ATOM 955 CG ASP A 151 -6.504 14.201 -0.626 1.00 1.24 C ATOM 956 OD1 ASP A 151 -5.557 14.968 -0.572 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.613 14.513 -1.026 1.00 1.90 O ATOM 0 H ASP A 151 -4.687 13.888 1.228 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.612 11.360 -0.037 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.894 12.079 -0.756 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.602 12.648 0.875 1.00 0.79 H new ATOM 962 N GLU A 152 -4.093 13.806 -2.146 1.00 0.54 N ATOM 963 CA GLU A 152 -3.639 14.058 -3.545 1.00 0.56 C ATOM 964 C GLU A 152 -2.146 13.747 -3.680 1.00 0.52 C ATOM 965 O GLU A 152 -1.619 13.640 -4.769 1.00 0.65 O ATOM 966 CB GLU A 152 -3.893 15.547 -3.783 1.00 0.60 C ATOM 967 CG GLU A 152 -5.378 15.858 -3.579 1.00 0.77 C ATOM 968 CD GLU A 152 -5.643 17.325 -3.926 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.245 17.738 -5.003 1.00 1.40 O ATOM 970 OE2 GLU A 152 -6.238 18.009 -3.111 1.00 1.17 O ATOM 0 H GLU A 152 -4.183 14.638 -1.563 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.164 13.432 -4.267 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.290 16.142 -3.098 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.590 15.820 -4.794 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.987 15.208 -4.208 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.664 15.660 -2.546 1.00 0.77 H new ATOM 977 N PHE A 153 -1.461 13.607 -2.579 1.00 0.46 N ATOM 978 CA PHE A 153 -0.001 13.311 -2.638 1.00 0.46 C ATOM 979 C PHE A 153 0.239 11.886 -3.146 1.00 0.50 C ATOM 980 O PHE A 153 1.209 11.614 -3.823 1.00 0.64 O ATOM 981 CB PHE A 153 0.482 13.452 -1.194 1.00 0.49 C ATOM 982 CG PHE A 153 1.985 13.320 -1.148 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.780 14.048 -2.041 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.583 12.469 -0.211 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.174 13.926 -1.996 1.00 0.73 C ATOM 986 CE2 PHE A 153 3.977 12.347 -0.167 1.00 0.61 C ATOM 987 CZ PHE A 153 4.772 13.075 -1.059 1.00 0.68 C ATOM 0 H PHE A 153 -1.850 13.685 -1.639 1.00 0.46 H new ATOM 0 HA PHE A 153 0.528 13.978 -3.319 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.179 14.419 -0.791 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.020 12.688 -0.569 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.318 14.704 -2.764 1.00 0.62 H new ATOM 0 HD2 PHE A 153 1.969 11.907 0.477 1.00 0.52 H new ATOM 0 HE1 PHE A 153 4.788 14.488 -2.684 1.00 0.73 H new ATOM 0 HE2 PHE A 153 4.439 11.691 0.556 1.00 0.61 H new ATOM 0 HZ PHE A 153 5.847 12.980 -1.025 1.00 0.68 H new ATOM 997 N LEU A 154 -0.634 10.974 -2.820 1.00 0.53 N ATOM 998 CA LEU A 154 -0.450 9.567 -3.280 1.00 0.62 C ATOM 999 C LEU A 154 -0.339 9.507 -4.807 1.00 0.65 C ATOM 1000 O LEU A 154 0.565 8.903 -5.348 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.704 8.831 -2.807 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.354 7.936 -1.618 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.388 6.839 -2.069 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.692 8.780 -0.526 1.00 1.20 C ATOM 0 H LEU A 154 -1.467 11.141 -2.255 1.00 0.53 H new ATOM 0 HA LEU A 154 0.463 9.124 -2.883 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.473 9.548 -2.521 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.114 8.231 -3.619 1.00 0.75 H new ATOM 0 HG LEU A 154 -2.263 7.479 -1.227 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.139 6.202 -1.220 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.857 6.239 -2.848 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.522 7.294 -2.460 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.441 8.144 0.323 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.217 9.236 -0.919 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.380 9.562 -0.203 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.254 10.121 -5.504 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.203 10.090 -6.994 1.00 0.81 C ATOM 1018 C GLU A 155 0.107 10.698 -7.505 1.00 0.76 C ATOM 1019 O GLU A 155 0.510 10.466 -8.628 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.395 10.933 -7.447 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.566 10.803 -8.962 1.00 1.41 C ATOM 1022 CD GLU A 155 -2.514 9.326 -9.355 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.313 8.566 -8.832 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -1.677 8.979 -10.172 1.00 2.77 O ATOM 0 H GLU A 155 -2.035 10.643 -5.107 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.246 9.072 -7.382 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.301 10.604 -6.939 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.239 11.977 -7.176 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.516 11.239 -9.270 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -1.780 11.355 -9.476 1.00 1.41 H new ATOM 1031 N PHE A 156 0.774 11.476 -6.697 1.00 0.66 N ATOM 1032 CA PHE A 156 2.054 12.095 -7.151 1.00 0.77 C ATOM 1033 C PHE A 156 3.132 11.022 -7.327 1.00 0.71 C ATOM 1034 O PHE A 156 3.632 10.804 -8.413 1.00 0.88 O ATOM 1035 CB PHE A 156 2.445 13.068 -6.038 1.00 0.84 C ATOM 1036 CG PHE A 156 3.741 13.753 -6.401 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.744 14.805 -7.325 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.941 13.337 -5.811 1.00 1.49 C ATOM 1039 CE1 PHE A 156 4.945 15.440 -7.660 1.00 1.31 C ATOM 1040 CE2 PHE A 156 6.143 13.973 -6.146 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.145 15.024 -7.070 1.00 1.53 C ATOM 0 H PHE A 156 0.490 11.710 -5.746 1.00 0.66 H new ATOM 0 HA PHE A 156 1.947 12.597 -8.112 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.658 13.808 -5.894 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.556 12.533 -5.095 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.819 15.127 -7.780 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.940 12.526 -5.098 1.00 1.49 H new ATOM 0 HE1 PHE A 156 4.947 16.251 -8.373 1.00 1.31 H new ATOM 0 HE2 PHE A 156 7.069 13.652 -5.691 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.072 15.514 -7.328 1.00 1.53 H new ATOM 1051 N MET A 157 3.496 10.351 -6.269 1.00 0.61 N ATOM 1052 CA MET A 157 4.544 9.296 -6.382 1.00 0.69 C ATOM 1053 C MET A 157 3.900 7.911 -6.507 1.00 0.83 C ATOM 1054 O MET A 157 4.441 7.023 -7.134 1.00 1.17 O ATOM 1055 CB MET A 157 5.360 9.400 -5.089 1.00 0.84 C ATOM 1056 CG MET A 157 4.463 9.120 -3.880 1.00 0.92 C ATOM 1057 SD MET A 157 4.821 10.315 -2.570 1.00 1.56 S ATOM 1058 CE MET A 157 6.624 10.290 -2.725 1.00 0.90 C ATOM 0 H MET A 157 3.114 10.487 -5.333 1.00 0.61 H new ATOM 0 HA MET A 157 5.167 9.432 -7.266 1.00 0.69 H new ATOM 0 HB2 MET A 157 6.186 8.689 -5.112 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.798 10.395 -5.005 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.414 9.186 -4.169 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.631 8.106 -3.517 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.075 10.583 -1.777 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.953 9.284 -2.987 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.932 10.987 -3.504 1.00 0.90 H new ATOM 1068 N LYS A 158 2.747 7.723 -5.921 1.00 0.86 N ATOM 1069 CA LYS A 158 2.066 6.397 -6.005 1.00 1.07 C ATOM 1070 C LYS A 158 2.929 5.311 -5.352 1.00 1.36 C ATOM 1071 O LYS A 158 2.605 4.798 -4.300 1.00 1.73 O ATOM 1072 CB LYS A 158 1.897 6.129 -7.502 1.00 1.28 C ATOM 1073 CG LYS A 158 0.711 5.185 -7.721 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.391 5.919 -8.489 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.755 5.348 -8.095 1.00 2.85 C ATOM 1076 NZ LYS A 158 -2.294 4.744 -9.346 1.00 3.52 N ATOM 0 H LYS A 158 2.246 8.433 -5.386 1.00 0.86 H new ATOM 0 HA LYS A 158 1.109 6.392 -5.483 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.733 7.066 -8.034 1.00 1.28 H new ATOM 0 HB3 LYS A 158 2.807 5.687 -7.908 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.032 4.304 -8.277 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.329 4.835 -6.762 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.354 6.986 -8.268 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.235 5.810 -9.562 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -1.658 4.602 -7.306 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -2.415 6.128 -7.717 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -3.229 4.331 -9.157 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.382 5.479 -10.077 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.648 4.000 -9.679 1.00 3.52 H new ATOM 1090 N GLY A 159 4.026 4.961 -5.965 1.00 1.73 N ATOM 1091 CA GLY A 159 4.910 3.913 -5.379 1.00 2.35 C ATOM 1092 C GLY A 159 6.371 4.247 -5.686 1.00 2.13 C ATOM 1093 O GLY A 159 7.248 4.053 -4.867 1.00 2.59 O ATOM 0 H GLY A 159 4.349 5.356 -6.848 1.00 1.73 H new ATOM 0 HA2 GLY A 159 4.758 3.855 -4.301 1.00 2.35 H new ATOM 0 HA3 GLY A 159 4.655 2.936 -5.790 1.00 2.35 H new ATOM 1097 N VAL A 160 6.641 4.750 -6.861 1.00 1.87 N ATOM 1098 CA VAL A 160 8.047 5.098 -7.219 1.00 1.87 C ATOM 1099 C VAL A 160 8.968 3.899 -6.978 1.00 2.39 C ATOM 1100 O VAL A 160 9.197 3.093 -7.857 1.00 3.11 O ATOM 1101 CB VAL A 160 8.417 6.251 -6.288 1.00 1.68 C ATOM 1102 CG1 VAL A 160 9.901 6.584 -6.449 1.00 1.89 C ATOM 1103 CG2 VAL A 160 7.580 7.481 -6.643 1.00 1.76 C ATOM 0 H VAL A 160 5.950 4.935 -7.588 1.00 1.87 H new ATOM 0 HA VAL A 160 8.150 5.371 -8.269 1.00 1.87 H new ATOM 0 HB VAL A 160 8.220 5.960 -5.256 1.00 1.68 H new ATOM 0 HG11 VAL A 160 10.163 7.407 -5.784 1.00 1.89 H new ATOM 0 HG12 VAL A 160 10.500 5.709 -6.197 1.00 1.89 H new ATOM 0 HG13 VAL A 160 10.099 6.874 -7.481 1.00 1.89 H new ATOM 0 HG21 VAL A 160 7.843 8.304 -5.979 1.00 1.76 H new ATOM 0 HG22 VAL A 160 7.777 7.770 -7.675 1.00 1.76 H new ATOM 0 HG23 VAL A 160 6.522 7.247 -6.528 1.00 1.76 H new ATOM 1113 N GLU A 161 9.498 3.777 -5.792 1.00 2.52 N ATOM 1114 CA GLU A 161 10.404 2.631 -5.496 1.00 3.28 C ATOM 1115 C GLU A 161 9.585 1.374 -5.190 1.00 3.90 C ATOM 1116 O GLU A 161 9.316 1.134 -4.025 1.00 4.34 O ATOM 1117 CB GLU A 161 11.201 3.065 -4.265 1.00 3.49 C ATOM 1118 CG GLU A 161 12.645 3.370 -4.673 1.00 4.11 C ATOM 1119 CD GLU A 161 13.613 2.558 -3.808 1.00 4.29 C ATOM 1120 OE1 GLU A 161 13.143 1.758 -3.016 1.00 4.56 O ATOM 1121 OE2 GLU A 161 14.809 2.751 -3.953 1.00 4.60 O ATOM 1122 OXT GLU A 161 9.240 0.673 -6.128 1.00 4.37 O ATOM 0 H GLU A 161 9.343 4.420 -5.016 1.00 2.52 H new ATOM 0 HA GLU A 161 11.053 2.389 -6.338 1.00 3.28 H new ATOM 0 HB2 GLU A 161 10.745 3.947 -3.816 1.00 3.49 H new ATOM 0 HB3 GLU A 161 11.183 2.278 -3.511 1.00 3.49 H new ATOM 0 HG2 GLU A 161 12.794 3.128 -5.725 1.00 4.11 H new ATOM 0 HG3 GLU A 161 12.847 4.435 -4.559 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 3.540 25.144 0.927 1.00 0.75 CA HETATM 1131 CA CA A 2 -5.598 20.439 -4.370 1.00 0.75 CA HETATM 1132 O1 KDH A 1 6.216 11.434 -10.557 1.00 2.83 O HETATM 1133 C3 KDH A 1 7.270 10.925 -9.861 1.00 2.40 C HETATM 1134 C6 KDH A 1 8.195 10.051 -10.533 1.00 3.09 C HETATM 1135 O7 KDH A 1 7.997 9.741 -11.851 1.00 4.04 O HETATM 1136 C9 KDH A 1 9.333 9.493 -9.833 1.00 2.99 C HETATM 1137 O10 KDH A 1 10.177 8.655 -10.501 1.00 3.91 O HETATM 1138 C12 KDH A 1 9.556 9.832 -8.447 1.00 2.07 C HETATM 1139 C14 KDH A 1 8.633 10.719 -7.768 1.00 1.26 C HETATM 1140 C15 KDH A 1 8.904 11.044 -6.429 1.00 0.94 C HETATM 1141 C20 KDH A 1 10.293 10.295 -4.476 1.00 2.17 C HETATM 1142 C21 KDH A 1 10.798 9.214 -3.665 1.00 3.11 C HETATM 1143 C24 KDH A 1 11.514 9.509 -2.455 1.00 3.89 C HETATM 1144 C26 KDH A 1 11.728 10.867 -2.035 1.00 3.84 C HETATM 1145 C29 KDH A 1 11.183 11.955 -2.820 1.00 3.01 C HETATM 1146 C31 KDH A 1 10.419 11.678 -4.015 1.00 2.10 C HETATM 1147 C33 KDH A 1 9.520 12.463 -6.260 1.00 0.94 C HETATM 1148 C36 KDH A 1 10.588 13.156 -8.277 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.343 12.547 -9.289 1.00 1.49 C HETATM 1150 C39 KDH A 1 11.175 12.990 -10.663 1.00 1.87 C HETATM 1151 C41 KDH A 1 12.277 11.492 -8.969 1.00 2.05 C HETATM 1152 C01 KDH A 1 9.773 12.735 -4.742 1.00 1.46 C HETATM 1153 O01 KDH A 1 9.696 10.013 -5.700 1.00 1.58 O HETATM 1154 O02 KDH A 1 11.998 8.488 -1.691 1.00 4.80 O HETATM 1155 O03 KDH A 1 11.390 13.240 -2.423 1.00 3.24 O HETATM 1156 C4 KDH A 1 7.472 11.248 -8.469 1.00 1.50 C HETATM 1157 O35 KDH A 1 10.739 12.617 -7.025 1.00 1.29 O HETATM 1158 O37 KDH A 1 9.846 14.112 -8.533 1.00 2.52 O HETATM 1159 C43 KDH A 1 13.078 10.904 -10.012 1.00 2.26 C HETATM 1160 O44 KDH A 1 13.997 9.925 -9.742 1.00 3.22 O HETATM 1161 C46 KDH A 1 12.918 11.347 -11.376 1.00 2.00 C HETATM 1162 O47 KDH A 1 13.666 10.783 -12.367 1.00 2.49 O HETATM 1163 C49 KDH A 1 11.967 12.392 -11.707 1.00 2.11 C HETATM 1164 O50 KDH A 1 11.846 12.783 -13.010 1.00 3.03 O HETATM 0 HO50 KDH A 1 12.036 12.023 -13.599 1.00 3.03 H new HETATM 0 HO47 KDH A 1 14.206 11.475 -12.803 1.00 2.49 H new HETATM 0 HO44 KDH A 1 14.434 9.649 -10.574 1.00 3.22 H new HETATM 0 HO10 KDH A 1 10.893 8.364 -9.899 1.00 3.91 H new HETATM 0 HO03 KDH A 1 12.007 13.679 -3.045 1.00 3.24 H new HETATM 0 HO02 KDH A 1 11.250 7.974 -1.320 1.00 4.80 H new HETATM 0 H01A KDH A 1 8.815 12.945 -4.266 1.00 1.46 H new HETATM 0 HO7 KDH A 1 8.477 8.915 -12.068 1.00 4.04 H new HETATM 0 HO1 KDH A 1 6.262 11.131 -11.488 1.00 2.83 H new HETATM 0 H41 KDH A 1 12.375 11.142 -7.941 1.00 2.05 H new HETATM 0 H4 KDH A 1 6.759 11.885 -7.945 1.00 1.50 H new HETATM 0 H39 KDH A 1 10.453 13.771 -10.902 1.00 1.87 H new HETATM 0 H33 KDH A 1 8.813 13.197 -6.648 1.00 0.94 H new HETATM 0 H26 KDH A 1 12.298 11.077 -1.130 1.00 3.84 H new HETATM 0 H21 KDH A 1 10.637 8.180 -3.969 1.00 3.11 H new HETATM 0 H15 KDH A 1 7.923 11.059 -5.954 1.00 0.94 H new HETATM 0 H12 KDH A 1 10.414 9.423 -7.914 1.00 2.07 H new HETATM 0 H01 KDH A 1 10.379 13.636 -4.650 1.00 1.46 H new