USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 147 CYS SG : rot 95:sc= 1.65 USER MOD Set 1.2: A 156 CYS SG : rot 121:sc= -0.647 USER MOD Set 1.3: A 162 CYS SG : rot 96:sc= 0.262 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 0.192 K(o=1.5,f=-10!) USER MOD Set 2.1: A 104 CYS SG : rot 108:sc= 0.619 USER MOD Set 2.2: A 113 CYS SG : rot 180:sc= 0.607 USER MOD Set 2.3: A 119 CYS SG : rot -170:sc= 2.48 USER MOD Set 2.4: A 123 HIS : no HE2:sc= 0.614 K(o=4.3,f=-9.4!) USER MOD Single : A 100 LYS NZ :NH3+ -146:sc= -1.02 (180deg=-3.08!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 168:sc= 0.0683 (180deg=0.044) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.31) USER MOD Single : A 126 HIS : no HD1:sc= -0.382 K(o=-0.38,f=-3!) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 MET CE :methyl -176:sc= -0.292 (180deg=-0.338) USER MOD Single : A 153 THR OG1 : rot -48:sc= 1.29 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ -130:sc= -0.483 (180deg=-2.46!) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 167 LYS NZ :NH3+ 161:sc= -0.891 (180deg=-1.52) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 2.569 8.207 9.958 1.00 13.54 N ATOM 37 CA PHE A 99 1.194 8.028 9.443 1.00 72.24 C ATOM 38 C PHE A 99 1.020 8.783 8.120 1.00 32.11 C ATOM 39 O PHE A 99 0.781 9.997 8.117 1.00 22.33 O ATOM 40 CB PHE A 99 0.129 8.476 10.490 1.00 23.32 C ATOM 41 CG PHE A 99 -0.221 7.389 11.506 1.00 34.15 C ATOM 42 CD1 PHE A 99 -1.033 6.317 11.129 1.00 24.01 C ATOM 43 CD2 PHE A 99 0.250 7.431 12.816 1.00 51.31 C ATOM 44 CE1 PHE A 99 -1.359 5.324 12.029 1.00 60.31 C ATOM 45 CE2 PHE A 99 -0.077 6.436 13.717 1.00 22.00 C ATOM 46 CZ PHE A 99 -0.883 5.384 13.325 1.00 70.14 C ATOM 0 HA PHE A 99 1.037 6.965 9.258 1.00 72.24 H new ATOM 0 HB2 PHE A 99 0.499 9.353 11.021 1.00 23.32 H new ATOM 0 HB3 PHE A 99 -0.778 8.779 9.967 1.00 23.32 H new ATOM 0 HD1 PHE A 99 -1.411 6.265 10.119 1.00 24.01 H new ATOM 0 HD2 PHE A 99 0.878 8.251 13.131 1.00 51.31 H new ATOM 0 HE1 PHE A 99 -1.986 4.500 11.721 1.00 60.31 H new ATOM 0 HE2 PHE A 99 0.298 6.480 14.729 1.00 22.00 H new ATOM 0 HZ PHE A 99 -1.141 4.609 14.031 1.00 70.14 H new ATOM 56 N LYS A 100 1.193 8.022 7.011 1.00 10.33 N ATOM 57 CA LYS A 100 0.897 8.418 5.608 1.00 61.22 C ATOM 58 C LYS A 100 1.407 9.813 5.207 1.00 32.34 C ATOM 59 O LYS A 100 0.829 10.479 4.350 1.00 4.22 O ATOM 60 CB LYS A 100 -0.617 8.174 5.256 1.00 12.13 C ATOM 61 CG LYS A 100 -1.680 8.836 6.166 1.00 4.15 C ATOM 62 CD LYS A 100 -3.120 8.284 5.949 1.00 15.55 C ATOM 63 CE LYS A 100 -3.340 6.840 6.483 1.00 54.22 C ATOM 64 NZ LYS A 100 -2.640 5.789 5.686 1.00 65.51 N ATOM 0 H LYS A 100 1.559 7.072 7.071 1.00 10.33 H new ATOM 0 HA LYS A 100 1.489 7.753 4.979 1.00 61.22 H new ATOM 0 HB2 LYS A 100 -0.785 8.521 4.236 1.00 12.13 H new ATOM 0 HB3 LYS A 100 -0.794 7.098 5.260 1.00 12.13 H new ATOM 0 HG2 LYS A 100 -1.397 8.688 7.208 1.00 4.15 H new ATOM 0 HG3 LYS A 100 -1.681 9.911 5.986 1.00 4.15 H new ATOM 0 HD2 LYS A 100 -3.830 8.951 6.438 1.00 15.55 H new ATOM 0 HD3 LYS A 100 -3.347 8.303 4.883 1.00 15.55 H new ATOM 0 HE2 LYS A 100 -2.996 6.788 7.516 1.00 54.22 H new ATOM 0 HE3 LYS A 100 -4.408 6.625 6.492 1.00 54.22 H new ATOM 0 HZ1 LYS A 100 -3.213 4.921 5.677 1.00 65.51 H new ATOM 0 HZ2 LYS A 100 -2.505 6.125 4.711 1.00 65.51 H new ATOM 0 HZ3 LYS A 100 -1.714 5.588 6.114 1.00 65.51 H new ATOM 78 N THR A 101 2.542 10.204 5.804 1.00 13.32 N ATOM 79 CA THR A 101 3.298 11.401 5.406 1.00 31.21 C ATOM 80 C THR A 101 4.208 11.075 4.200 1.00 62.11 C ATOM 81 O THR A 101 4.664 11.974 3.487 1.00 45.22 O ATOM 82 CB THR A 101 4.139 11.955 6.604 1.00 34.41 C ATOM 83 OG1 THR A 101 5.071 10.956 7.063 1.00 60.43 O ATOM 84 CG2 THR A 101 3.242 12.391 7.781 1.00 45.45 C ATOM 0 H THR A 101 2.964 9.696 6.581 1.00 13.32 H new ATOM 0 HA THR A 101 2.591 12.176 5.110 1.00 31.21 H new ATOM 0 HB THR A 101 4.679 12.830 6.242 1.00 34.41 H new ATOM 0 HG1 THR A 101 5.593 11.314 7.811 1.00 60.43 H new ATOM 0 HG21 THR A 101 3.864 12.769 8.592 1.00 45.45 H new ATOM 0 HG22 THR A 101 2.562 13.176 7.449 1.00 45.45 H new ATOM 0 HG23 THR A 101 2.665 11.537 8.135 1.00 45.45 H new ATOM 92 N ALA A 102 4.448 9.767 3.993 1.00 34.00 N ATOM 93 CA ALA A 102 5.147 9.214 2.821 1.00 53.55 C ATOM 94 C ALA A 102 4.235 8.175 2.143 1.00 44.12 C ATOM 95 O ALA A 102 3.324 7.631 2.789 1.00 73.20 O ATOM 96 CB ALA A 102 6.489 8.589 3.235 1.00 52.55 C ATOM 0 H ALA A 102 4.153 9.048 4.654 1.00 34.00 H new ATOM 0 HA ALA A 102 5.367 10.013 2.113 1.00 53.55 H new ATOM 0 HB1 ALA A 102 6.990 8.186 2.355 1.00 52.55 H new ATOM 0 HB2 ALA A 102 7.119 9.351 3.694 1.00 52.55 H new ATOM 0 HB3 ALA A 102 6.311 7.786 3.950 1.00 52.55 H new ATOM 102 N LEU A 103 4.470 7.926 0.841 1.00 22.24 N ATOM 103 CA LEU A 103 3.662 6.987 0.034 1.00 22.20 C ATOM 104 C LEU A 103 3.981 5.518 0.373 1.00 62.53 C ATOM 105 O LEU A 103 5.051 5.196 0.894 1.00 12.13 O ATOM 106 CB LEU A 103 3.879 7.262 -1.484 1.00 0.21 C ATOM 107 CG LEU A 103 3.285 8.608 -2.018 1.00 0.30 C ATOM 108 CD1 LEU A 103 3.759 8.921 -3.452 1.00 1.14 C ATOM 109 CD2 LEU A 103 1.740 8.595 -1.939 1.00 45.11 C ATOM 0 H LEU A 103 5.225 8.369 0.317 1.00 22.24 H new ATOM 0 HA LEU A 103 2.613 7.153 0.279 1.00 22.20 H new ATOM 0 HB2 LEU A 103 4.950 7.252 -1.688 1.00 0.21 H new ATOM 0 HB3 LEU A 103 3.439 6.441 -2.050 1.00 0.21 H new ATOM 0 HG LEU A 103 3.658 9.405 -1.375 1.00 0.30 H new ATOM 0 HD11 LEU A 103 3.322 9.864 -3.782 1.00 1.14 H new ATOM 0 HD12 LEU A 103 4.846 9.000 -3.467 1.00 1.14 H new ATOM 0 HD13 LEU A 103 3.444 8.121 -4.122 1.00 1.14 H new ATOM 0 HD21 LEU A 103 1.348 9.540 -2.315 1.00 45.11 H new ATOM 0 HD22 LEU A 103 1.352 7.775 -2.543 1.00 45.11 H new ATOM 0 HD23 LEU A 103 1.430 8.461 -0.903 1.00 45.11 H new ATOM 121 N CYS A 104 3.019 4.643 0.070 1.00 33.44 N ATOM 122 CA CYS A 104 3.122 3.197 0.288 1.00 4.43 C ATOM 123 C CYS A 104 3.954 2.564 -0.831 1.00 55.43 C ATOM 124 O CYS A 104 3.614 2.700 -2.016 1.00 22.32 O ATOM 125 CB CYS A 104 1.692 2.614 0.348 1.00 50.24 C ATOM 126 SG CYS A 104 1.551 0.811 0.560 1.00 64.24 S ATOM 0 H CYS A 104 2.129 4.925 -0.342 1.00 33.44 H new ATOM 0 HA CYS A 104 3.628 2.978 1.228 1.00 4.43 H new ATOM 0 HB2 CYS A 104 1.163 3.096 1.170 1.00 50.24 H new ATOM 0 HB3 CYS A 104 1.173 2.890 -0.570 1.00 50.24 H new ATOM 0 HG CYS A 104 1.126 0.547 1.760 1.00 64.24 H new ATOM 131 N ASP A 105 5.063 1.901 -0.448 1.00 2.31 N ATOM 132 CA ASP A 105 5.995 1.264 -1.404 1.00 62.24 C ATOM 133 C ASP A 105 5.329 0.087 -2.139 1.00 0.43 C ATOM 134 O ASP A 105 5.640 -0.182 -3.303 1.00 12.34 O ATOM 135 CB ASP A 105 7.312 0.834 -0.703 1.00 1.02 C ATOM 136 CG ASP A 105 8.146 2.039 -0.210 1.00 2.31 C ATOM 137 OD1 ASP A 105 8.672 2.793 -1.062 1.00 53.15 O ATOM 138 OD2 ASP A 105 8.273 2.245 1.018 1.00 4.53 O ATOM 0 H ASP A 105 5.339 1.791 0.528 1.00 2.31 H new ATOM 0 HA ASP A 105 6.256 2.007 -2.158 1.00 62.24 H new ATOM 0 HB2 ASP A 105 7.075 0.191 0.144 1.00 1.02 H new ATOM 0 HB3 ASP A 105 7.911 0.242 -1.395 1.00 1.02 H new ATOM 143 N ALA A 106 4.382 -0.576 -1.457 1.00 32.55 N ATOM 144 CA ALA A 106 3.562 -1.647 -2.051 1.00 0.22 C ATOM 145 C ALA A 106 2.573 -1.079 -3.089 1.00 72.40 C ATOM 146 O ALA A 106 2.250 -1.741 -4.071 1.00 62.11 O ATOM 147 CB ALA A 106 2.818 -2.407 -0.946 1.00 40.33 C ATOM 0 H ALA A 106 4.162 -0.386 -0.479 1.00 32.55 H new ATOM 0 HA ALA A 106 4.222 -2.341 -2.572 1.00 0.22 H new ATOM 0 HB1 ALA A 106 2.214 -3.197 -1.391 1.00 40.33 H new ATOM 0 HB2 ALA A 106 3.540 -2.846 -0.257 1.00 40.33 H new ATOM 0 HB3 ALA A 106 2.171 -1.718 -0.403 1.00 40.33 H new ATOM 153 N TYR A 107 2.127 0.168 -2.866 1.00 65.41 N ATOM 154 CA TYR A 107 1.143 0.840 -3.737 1.00 11.05 C ATOM 155 C TYR A 107 1.821 1.443 -4.990 1.00 3.13 C ATOM 156 O TYR A 107 1.198 1.531 -6.051 1.00 13.33 O ATOM 157 CB TYR A 107 0.384 1.933 -2.937 1.00 22.13 C ATOM 158 CG TYR A 107 -0.770 2.613 -3.693 1.00 24.42 C ATOM 159 CD1 TYR A 107 -2.013 1.984 -3.828 1.00 40.43 C ATOM 160 CD2 TYR A 107 -0.624 3.882 -4.267 1.00 32.11 C ATOM 161 CE1 TYR A 107 -3.055 2.589 -4.501 1.00 71.34 C ATOM 162 CE2 TYR A 107 -1.666 4.489 -4.942 1.00 43.25 C ATOM 163 CZ TYR A 107 -2.877 3.840 -5.056 1.00 31.21 C ATOM 164 OH TYR A 107 -3.915 4.442 -5.732 1.00 12.04 O ATOM 0 H TYR A 107 2.436 0.739 -2.080 1.00 65.41 H new ATOM 0 HA TYR A 107 0.425 0.096 -4.081 1.00 11.05 H new ATOM 0 HB2 TYR A 107 -0.013 1.485 -2.026 1.00 22.13 H new ATOM 0 HB3 TYR A 107 1.097 2.698 -2.630 1.00 22.13 H new ATOM 0 HD1 TYR A 107 -2.160 1.005 -3.397 1.00 40.43 H new ATOM 0 HD2 TYR A 107 0.322 4.396 -4.180 1.00 32.11 H new ATOM 0 HE1 TYR A 107 -4.006 2.085 -4.593 1.00 71.34 H new ATOM 0 HE2 TYR A 107 -1.532 5.468 -5.378 1.00 43.25 H new ATOM 0 HH TYR A 107 -3.627 5.319 -6.060 1.00 12.04 H new ATOM 174 N LYS A 108 3.093 1.866 -4.865 1.00 5.22 N ATOM 175 CA LYS A 108 3.821 2.507 -5.986 1.00 25.01 C ATOM 176 C LYS A 108 4.452 1.446 -6.919 1.00 21.25 C ATOM 177 O LYS A 108 4.451 1.615 -8.142 1.00 2.21 O ATOM 178 CB LYS A 108 4.892 3.509 -5.457 1.00 74.23 C ATOM 179 CG LYS A 108 6.100 2.863 -4.749 1.00 4.12 C ATOM 180 CD LYS A 108 7.087 3.877 -4.130 1.00 14.33 C ATOM 181 CE LYS A 108 6.479 4.697 -2.976 1.00 62.13 C ATOM 182 NZ LYS A 108 7.510 5.509 -2.278 1.00 60.05 N ATOM 0 H LYS A 108 3.638 1.778 -4.007 1.00 5.22 H new ATOM 0 HA LYS A 108 3.100 3.075 -6.574 1.00 25.01 H new ATOM 0 HB2 LYS A 108 5.257 4.103 -6.295 1.00 74.23 H new ATOM 0 HB3 LYS A 108 4.411 4.199 -4.764 1.00 74.23 H new ATOM 0 HG2 LYS A 108 5.735 2.202 -3.963 1.00 4.12 H new ATOM 0 HG3 LYS A 108 6.637 2.241 -5.465 1.00 4.12 H new ATOM 0 HD2 LYS A 108 7.963 3.342 -3.763 1.00 14.33 H new ATOM 0 HD3 LYS A 108 7.432 4.558 -4.908 1.00 14.33 H new ATOM 0 HE2 LYS A 108 5.701 5.353 -3.366 1.00 62.13 H new ATOM 0 HE3 LYS A 108 6.001 4.025 -2.264 1.00 62.13 H new ATOM 0 HZ1 LYS A 108 7.045 6.194 -1.649 1.00 60.05 H new ATOM 0 HZ2 LYS A 108 8.123 4.884 -1.716 1.00 60.05 H new ATOM 0 HZ3 LYS A 108 8.085 6.018 -2.980 1.00 60.05 H new ATOM 196 N ARG A 109 4.972 0.345 -6.329 1.00 23.52 N ATOM 197 CA ARG A 109 5.695 -0.704 -7.086 1.00 73.22 C ATOM 198 C ARG A 109 4.732 -1.802 -7.572 1.00 3.13 C ATOM 199 O ARG A 109 4.725 -2.148 -8.757 1.00 53.12 O ATOM 200 CB ARG A 109 6.812 -1.334 -6.204 1.00 60.50 C ATOM 201 CG ARG A 109 7.901 -0.353 -5.715 1.00 33.43 C ATOM 202 CD ARG A 109 8.678 0.320 -6.860 1.00 23.14 C ATOM 203 NE ARG A 109 9.692 1.251 -6.334 1.00 21.33 N ATOM 204 CZ ARG A 109 10.478 2.061 -7.064 1.00 74.41 C ATOM 205 NH1 ARG A 109 10.405 2.086 -8.393 1.00 43.33 N ATOM 206 NH2 ARG A 109 11.334 2.856 -6.443 1.00 43.20 N ATOM 0 H ARG A 109 4.904 0.160 -5.328 1.00 23.52 H new ATOM 0 HA ARG A 109 6.148 -0.234 -7.959 1.00 73.22 H new ATOM 0 HB2 ARG A 109 6.347 -1.797 -5.334 1.00 60.50 H new ATOM 0 HB3 ARG A 109 7.293 -2.131 -6.771 1.00 60.50 H new ATOM 0 HG2 ARG A 109 7.436 0.417 -5.100 1.00 33.43 H new ATOM 0 HG3 ARG A 109 8.603 -0.890 -5.076 1.00 33.43 H new ATOM 0 HD2 ARG A 109 9.161 -0.441 -7.473 1.00 23.14 H new ATOM 0 HD3 ARG A 109 7.986 0.858 -7.507 1.00 23.14 H new ATOM 0 HE ARG A 109 9.808 1.284 -5.321 1.00 21.33 H new ATOM 0 HH11 ARG A 109 9.742 1.482 -8.879 1.00 43.33 H new ATOM 0 HH12 ARG A 109 11.012 2.709 -8.925 1.00 43.33 H new ATOM 0 HH21 ARG A 109 11.391 2.848 -5.425 1.00 43.20 H new ATOM 0 HH22 ARG A 109 11.937 3.477 -6.983 1.00 43.20 H new ATOM 220 N SER A 110 3.921 -2.338 -6.643 1.00 23.01 N ATOM 221 CA SER A 110 3.028 -3.492 -6.906 1.00 51.45 C ATOM 222 C SER A 110 1.579 -3.039 -7.184 1.00 74.31 C ATOM 223 O SER A 110 0.812 -3.786 -7.806 1.00 2.30 O ATOM 224 CB SER A 110 3.072 -4.457 -5.691 1.00 4.11 C ATOM 225 OG SER A 110 2.269 -5.616 -5.885 1.00 74.31 O ATOM 0 H SER A 110 3.862 -1.987 -5.687 1.00 23.01 H new ATOM 0 HA SER A 110 3.381 -4.007 -7.799 1.00 51.45 H new ATOM 0 HB2 SER A 110 4.103 -4.760 -5.509 1.00 4.11 H new ATOM 0 HB3 SER A 110 2.733 -3.929 -4.800 1.00 4.11 H new ATOM 0 HG SER A 110 2.330 -6.193 -5.095 1.00 74.31 H new ATOM 231 N GLN A 111 1.233 -1.815 -6.717 1.00 35.12 N ATOM 232 CA GLN A 111 -0.138 -1.237 -6.730 1.00 30.52 C ATOM 233 C GLN A 111 -1.030 -1.880 -5.642 1.00 35.31 C ATOM 234 O GLN A 111 -1.623 -1.167 -4.818 1.00 42.33 O ATOM 235 CB GLN A 111 -0.814 -1.260 -8.134 1.00 1.54 C ATOM 236 CG GLN A 111 -0.059 -0.455 -9.216 1.00 75.03 C ATOM 237 CD GLN A 111 -0.745 -0.466 -10.587 1.00 4.20 C ATOM 238 OE1 GLN A 111 -1.441 -1.418 -10.949 1.00 20.34 O ATOM 239 NE2 GLN A 111 -0.537 0.587 -11.367 1.00 0.11 N ATOM 0 H GLN A 111 1.919 -1.181 -6.308 1.00 35.12 H new ATOM 0 HA GLN A 111 -0.023 -0.181 -6.486 1.00 30.52 H new ATOM 0 HB2 GLN A 111 -0.904 -2.295 -8.464 1.00 1.54 H new ATOM 0 HB3 GLN A 111 -1.826 -0.865 -8.044 1.00 1.54 H new ATOM 0 HG2 GLN A 111 0.046 0.577 -8.881 1.00 75.03 H new ATOM 0 HG3 GLN A 111 0.948 -0.860 -9.321 1.00 75.03 H new ATOM 0 HE21 GLN A 111 0.044 1.358 -11.038 1.00 0.11 H new ATOM 0 HE22 GLN A 111 -0.958 0.625 -12.295 1.00 0.11 H new ATOM 248 N ALA A 112 -1.116 -3.221 -5.643 1.00 25.15 N ATOM 249 CA ALA A 112 -1.818 -3.989 -4.599 1.00 52.04 C ATOM 250 C ALA A 112 -1.005 -3.979 -3.284 1.00 74.23 C ATOM 251 O ALA A 112 0.169 -4.371 -3.274 1.00 22.32 O ATOM 252 CB ALA A 112 -2.063 -5.427 -5.088 1.00 24.24 C ATOM 0 H ALA A 112 -0.700 -3.805 -6.369 1.00 25.15 H new ATOM 0 HA ALA A 112 -2.783 -3.523 -4.398 1.00 52.04 H new ATOM 0 HB1 ALA A 112 -2.582 -5.991 -4.313 1.00 24.24 H new ATOM 0 HB2 ALA A 112 -2.673 -5.405 -5.991 1.00 24.24 H new ATOM 0 HB3 ALA A 112 -1.108 -5.905 -5.306 1.00 24.24 H new ATOM 258 N CYS A 113 -1.640 -3.516 -2.191 1.00 34.25 N ATOM 259 CA CYS A 113 -1.029 -3.429 -0.851 1.00 45.05 C ATOM 260 C CYS A 113 -1.661 -4.487 0.073 1.00 74.12 C ATOM 261 O CYS A 113 -2.890 -4.535 0.212 1.00 60.10 O ATOM 262 CB CYS A 113 -1.247 -2.002 -0.293 1.00 72.43 C ATOM 263 SG CYS A 113 -0.604 -1.700 1.390 1.00 13.23 S ATOM 0 H CYS A 113 -2.605 -3.187 -2.214 1.00 34.25 H new ATOM 0 HA CYS A 113 0.042 -3.624 -0.909 1.00 45.05 H new ATOM 0 HB2 CYS A 113 -0.779 -1.291 -0.973 1.00 72.43 H new ATOM 0 HB3 CYS A 113 -2.316 -1.790 -0.297 1.00 72.43 H new ATOM 0 HG CYS A 113 -0.846 -0.470 1.733 1.00 13.23 H new ATOM 268 N SER A 114 -0.813 -5.323 0.704 1.00 75.02 N ATOM 269 CA SER A 114 -1.255 -6.455 1.550 1.00 12.34 C ATOM 270 C SER A 114 -1.920 -5.976 2.856 1.00 62.11 C ATOM 271 O SER A 114 -2.809 -6.649 3.390 1.00 75.14 O ATOM 272 CB SER A 114 -0.052 -7.367 1.860 1.00 14.23 C ATOM 273 OG SER A 114 0.581 -7.803 0.667 1.00 31.14 O ATOM 0 H SER A 114 0.201 -5.234 0.643 1.00 75.02 H new ATOM 0 HA SER A 114 -2.007 -7.016 0.996 1.00 12.34 H new ATOM 0 HB2 SER A 114 0.665 -6.829 2.480 1.00 14.23 H new ATOM 0 HB3 SER A 114 -0.386 -8.231 2.435 1.00 14.23 H new ATOM 0 HG SER A 114 1.342 -8.378 0.892 1.00 31.14 H new ATOM 279 N TYR A 115 -1.470 -4.812 3.361 1.00 4.22 N ATOM 280 CA TYR A 115 -2.053 -4.175 4.557 1.00 61.50 C ATOM 281 C TYR A 115 -3.481 -3.662 4.272 1.00 13.51 C ATOM 282 O TYR A 115 -4.325 -3.643 5.171 1.00 34.51 O ATOM 283 CB TYR A 115 -1.158 -3.010 5.039 1.00 75.12 C ATOM 284 CG TYR A 115 0.202 -3.432 5.619 1.00 43.45 C ATOM 285 CD1 TYR A 115 1.287 -3.732 4.789 1.00 55.42 C ATOM 286 CD2 TYR A 115 0.401 -3.517 6.999 1.00 21.13 C ATOM 287 CE1 TYR A 115 2.513 -4.096 5.314 1.00 32.31 C ATOM 288 CE2 TYR A 115 1.622 -3.882 7.525 1.00 24.32 C ATOM 289 CZ TYR A 115 2.675 -4.170 6.682 1.00 11.33 C ATOM 290 OH TYR A 115 3.896 -4.533 7.211 1.00 13.01 O ATOM 0 H TYR A 115 -0.695 -4.288 2.953 1.00 4.22 H new ATOM 0 HA TYR A 115 -2.110 -4.927 5.344 1.00 61.50 H new ATOM 0 HB2 TYR A 115 -0.985 -2.334 4.201 1.00 75.12 H new ATOM 0 HB3 TYR A 115 -1.700 -2.445 5.798 1.00 75.12 H new ATOM 0 HD1 TYR A 115 1.165 -3.678 3.717 1.00 55.42 H new ATOM 0 HD2 TYR A 115 -0.417 -3.292 7.667 1.00 21.13 H new ATOM 0 HE1 TYR A 115 3.340 -4.321 4.657 1.00 32.31 H new ATOM 0 HE2 TYR A 115 1.754 -3.942 8.595 1.00 24.32 H new ATOM 0 HH TYR A 115 3.841 -4.535 8.189 1.00 13.01 H new ATOM 300 N GLY A 116 -3.721 -3.243 3.014 1.00 63.14 N ATOM 301 CA GLY A 116 -5.033 -2.756 2.581 1.00 71.31 C ATOM 302 C GLY A 116 -5.415 -1.430 3.236 1.00 53.34 C ATOM 303 O GLY A 116 -4.690 -0.441 3.098 1.00 24.32 O ATOM 0 H GLY A 116 -3.013 -3.235 2.280 1.00 63.14 H new ATOM 0 HA2 GLY A 116 -5.031 -2.634 1.498 1.00 71.31 H new ATOM 0 HA3 GLY A 116 -5.790 -3.504 2.817 1.00 71.31 H new ATOM 307 N ASP A 117 -6.538 -1.423 3.973 1.00 60.42 N ATOM 308 CA ASP A 117 -7.036 -0.229 4.700 1.00 31.51 C ATOM 309 C ASP A 117 -6.247 0.006 6.002 1.00 60.41 C ATOM 310 O ASP A 117 -6.274 1.108 6.564 1.00 63.53 O ATOM 311 CB ASP A 117 -8.544 -0.379 5.018 1.00 64.51 C ATOM 312 CG ASP A 117 -9.413 -0.504 3.755 1.00 15.15 C ATOM 313 OD1 ASP A 117 -9.671 -1.646 3.304 1.00 55.34 O ATOM 314 OD2 ASP A 117 -9.847 0.535 3.205 1.00 33.54 O ATOM 0 H ASP A 117 -7.132 -2.244 4.086 1.00 60.42 H new ATOM 0 HA ASP A 117 -6.890 0.636 4.053 1.00 31.51 H new ATOM 0 HB2 ASP A 117 -8.692 -1.259 5.643 1.00 64.51 H new ATOM 0 HB3 ASP A 117 -8.875 0.483 5.597 1.00 64.51 H new ATOM 319 N GLN A 118 -5.547 -1.047 6.474 1.00 74.22 N ATOM 320 CA GLN A 118 -4.683 -0.981 7.671 1.00 3.44 C ATOM 321 C GLN A 118 -3.288 -0.407 7.340 1.00 62.41 C ATOM 322 O GLN A 118 -2.441 -0.299 8.231 1.00 2.43 O ATOM 323 CB GLN A 118 -4.548 -2.392 8.312 1.00 42.22 C ATOM 324 CG GLN A 118 -5.865 -2.990 8.857 1.00 62.24 C ATOM 325 CD GLN A 118 -6.492 -2.188 10.002 1.00 12.32 C ATOM 326 OE1 GLN A 118 -5.800 -1.533 10.784 1.00 44.23 O ATOM 327 NE2 GLN A 118 -7.810 -2.249 10.123 1.00 54.32 N ATOM 0 H GLN A 118 -5.565 -1.968 6.035 1.00 74.22 H new ATOM 0 HA GLN A 118 -5.155 -0.305 8.384 1.00 3.44 H new ATOM 0 HB2 GLN A 118 -4.137 -3.075 7.568 1.00 42.22 H new ATOM 0 HB3 GLN A 118 -3.827 -2.337 9.127 1.00 42.22 H new ATOM 0 HG2 GLN A 118 -6.584 -3.060 8.041 1.00 62.24 H new ATOM 0 HG3 GLN A 118 -5.674 -4.006 9.202 1.00 62.24 H new ATOM 0 HE21 GLN A 118 -8.358 -2.799 9.461 1.00 54.32 H new ATOM 0 HE22 GLN A 118 -8.277 -1.746 10.878 1.00 54.32 H new ATOM 336 N CYS A 119 -3.067 -0.034 6.059 1.00 14.03 N ATOM 337 CA CYS A 119 -1.790 0.526 5.598 1.00 31.33 C ATOM 338 C CYS A 119 -1.553 1.910 6.224 1.00 61.01 C ATOM 339 O CYS A 119 -2.335 2.845 6.003 1.00 23.00 O ATOM 340 CB CYS A 119 -1.779 0.609 4.055 1.00 41.24 C ATOM 341 SG CYS A 119 -0.175 1.074 3.319 1.00 20.44 S ATOM 0 H CYS A 119 -3.770 -0.115 5.324 1.00 14.03 H new ATOM 0 HA CYS A 119 -0.979 -0.130 5.916 1.00 31.33 H new ATOM 0 HB2 CYS A 119 -2.080 -0.358 3.652 1.00 41.24 H new ATOM 0 HB3 CYS A 119 -2.530 1.333 3.740 1.00 41.24 H new ATOM 0 HG CYS A 119 -0.331 1.308 2.050 1.00 20.44 H new ATOM 346 N ARG A 120 -0.476 2.014 7.025 1.00 70.41 N ATOM 347 CA ARG A 120 -0.080 3.263 7.699 1.00 4.01 C ATOM 348 C ARG A 120 0.366 4.311 6.662 1.00 21.52 C ATOM 349 O ARG A 120 0.095 5.493 6.835 1.00 54.25 O ATOM 350 CB ARG A 120 1.044 2.991 8.748 1.00 0.14 C ATOM 351 CG ARG A 120 2.308 2.330 8.161 1.00 41.32 C ATOM 352 CD ARG A 120 3.402 2.051 9.198 1.00 2.03 C ATOM 353 NE ARG A 120 4.581 1.418 8.571 1.00 1.35 N ATOM 354 CZ ARG A 120 5.660 0.941 9.216 1.00 0.52 C ATOM 355 NH1 ARG A 120 5.755 0.999 10.544 1.00 11.11 N ATOM 356 NH2 ARG A 120 6.654 0.410 8.514 1.00 43.43 N ATOM 0 H ARG A 120 0.146 1.230 7.223 1.00 70.41 H new ATOM 0 HA ARG A 120 -0.943 3.661 8.233 1.00 4.01 H new ATOM 0 HB2 ARG A 120 1.325 3.934 9.216 1.00 0.14 H new ATOM 0 HB3 ARG A 120 0.645 2.351 9.535 1.00 0.14 H new ATOM 0 HG2 ARG A 120 2.027 1.392 7.683 1.00 41.32 H new ATOM 0 HG3 ARG A 120 2.715 2.975 7.382 1.00 41.32 H new ATOM 0 HD2 ARG A 120 3.698 2.984 9.678 1.00 2.03 H new ATOM 0 HD3 ARG A 120 3.009 1.401 9.980 1.00 2.03 H new ATOM 0 HE ARG A 120 4.576 1.335 7.554 1.00 1.35 H new ATOM 0 HH11 ARG A 120 5.000 1.411 11.092 1.00 11.11 H new ATOM 0 HH12 ARG A 120 6.583 0.631 11.013 1.00 11.11 H new ATOM 0 HH21 ARG A 120 6.594 0.367 7.497 1.00 43.43 H new ATOM 0 HH22 ARG A 120 7.478 0.045 8.992 1.00 43.43 H new ATOM 370 N PHE A 121 1.008 3.839 5.569 1.00 54.33 N ATOM 371 CA PHE A 121 1.508 4.690 4.465 1.00 23.40 C ATOM 372 C PHE A 121 0.379 5.078 3.479 1.00 21.32 C ATOM 373 O PHE A 121 -0.681 4.441 3.439 1.00 74.21 O ATOM 374 CB PHE A 121 2.669 3.986 3.719 1.00 31.33 C ATOM 375 CG PHE A 121 4.020 4.040 4.437 1.00 1.51 C ATOM 376 CD1 PHE A 121 4.900 5.105 4.219 1.00 54.43 C ATOM 377 CD2 PHE A 121 4.415 3.038 5.319 1.00 24.04 C ATOM 378 CE1 PHE A 121 6.124 5.161 4.857 1.00 55.32 C ATOM 379 CE2 PHE A 121 5.640 3.100 5.957 1.00 74.55 C ATOM 380 CZ PHE A 121 6.492 4.161 5.726 1.00 35.40 C ATOM 0 H PHE A 121 1.195 2.846 5.427 1.00 54.33 H new ATOM 0 HA PHE A 121 1.884 5.613 4.907 1.00 23.40 H new ATOM 0 HB2 PHE A 121 2.400 2.942 3.560 1.00 31.33 H new ATOM 0 HB3 PHE A 121 2.778 4.441 2.734 1.00 31.33 H new ATOM 0 HD1 PHE A 121 4.618 5.897 3.541 1.00 54.43 H new ATOM 0 HD2 PHE A 121 3.757 2.203 5.507 1.00 24.04 H new ATOM 0 HE1 PHE A 121 6.792 5.990 4.673 1.00 55.32 H new ATOM 0 HE2 PHE A 121 5.931 2.315 6.639 1.00 74.55 H new ATOM 0 HZ PHE A 121 7.447 4.206 6.228 1.00 35.40 H new ATOM 390 N ALA A 122 0.645 6.140 2.690 1.00 1.12 N ATOM 391 CA ALA A 122 -0.355 6.807 1.837 1.00 3.02 C ATOM 392 C ALA A 122 -0.626 6.048 0.523 1.00 42.43 C ATOM 393 O ALA A 122 0.303 5.718 -0.220 1.00 24.44 O ATOM 394 CB ALA A 122 0.116 8.237 1.532 1.00 51.11 C ATOM 0 H ALA A 122 1.572 6.562 2.628 1.00 1.12 H new ATOM 0 HA ALA A 122 -1.296 6.823 2.386 1.00 3.02 H new ATOM 0 HB1 ALA A 122 -0.620 8.736 0.901 1.00 51.11 H new ATOM 0 HB2 ALA A 122 0.228 8.790 2.465 1.00 51.11 H new ATOM 0 HB3 ALA A 122 1.074 8.202 1.013 1.00 51.11 H new ATOM 400 N HIS A 123 -1.914 5.788 0.248 1.00 34.40 N ATOM 401 CA HIS A 123 -2.378 5.225 -1.034 1.00 53.03 C ATOM 402 C HIS A 123 -2.872 6.368 -1.944 1.00 61.14 C ATOM 403 O HIS A 123 -4.073 6.511 -2.195 1.00 31.13 O ATOM 404 CB HIS A 123 -3.492 4.156 -0.798 1.00 32.04 C ATOM 405 CG HIS A 123 -3.016 2.873 -0.160 1.00 11.04 C ATOM 406 ND1 HIS A 123 -3.840 1.809 0.110 1.00 23.13 N ATOM 407 CD2 HIS A 123 -1.771 2.485 0.227 1.00 24.11 C ATOM 408 CE1 HIS A 123 -3.100 0.832 0.632 1.00 35.45 C ATOM 409 NE2 HIS A 123 -1.822 1.188 0.728 1.00 64.40 N ATOM 0 H HIS A 123 -2.669 5.963 0.912 1.00 34.40 H new ATOM 0 HA HIS A 123 -1.549 4.720 -1.530 1.00 53.03 H new ATOM 0 HB2 HIS A 123 -4.267 4.593 -0.168 1.00 32.04 H new ATOM 0 HB3 HIS A 123 -3.956 3.918 -1.755 1.00 32.04 H new ATOM 0 HD1 HIS A 123 -4.845 1.773 -0.060 1.00 23.13 H new ATOM 0 HD2 HIS A 123 -0.880 3.091 0.156 1.00 24.11 H new ATOM 0 HE1 HIS A 123 -3.489 -0.128 0.939 1.00 35.45 H new ATOM 417 N GLY A 124 -1.922 7.200 -2.403 1.00 42.13 N ATOM 418 CA GLY A 124 -2.217 8.358 -3.265 1.00 43.02 C ATOM 419 C GLY A 124 -1.743 9.670 -2.646 1.00 2.24 C ATOM 420 O GLY A 124 -1.503 9.739 -1.431 1.00 63.23 O ATOM 0 H GLY A 124 -0.931 7.090 -2.188 1.00 42.13 H new ATOM 0 HA2 GLY A 124 -1.736 8.220 -4.234 1.00 43.02 H new ATOM 0 HA3 GLY A 124 -3.291 8.410 -3.446 1.00 43.02 H new ATOM 424 N VAL A 125 -1.629 10.721 -3.485 1.00 42.34 N ATOM 425 CA VAL A 125 -1.128 12.048 -3.062 1.00 74.40 C ATOM 426 C VAL A 125 -2.144 12.765 -2.138 1.00 41.24 C ATOM 427 O VAL A 125 -1.766 13.610 -1.319 1.00 75.23 O ATOM 428 CB VAL A 125 -0.757 12.948 -4.311 1.00 21.04 C ATOM 429 CG1 VAL A 125 -1.996 13.304 -5.167 1.00 5.30 C ATOM 430 CG2 VAL A 125 0.020 14.224 -3.895 1.00 74.15 C ATOM 0 H VAL A 125 -1.881 10.675 -4.472 1.00 42.34 H new ATOM 0 HA VAL A 125 -0.216 11.886 -2.488 1.00 74.40 H new ATOM 0 HB VAL A 125 -0.095 12.348 -4.935 1.00 21.04 H new ATOM 0 HG11 VAL A 125 -1.690 13.922 -6.011 1.00 5.30 H new ATOM 0 HG12 VAL A 125 -2.458 12.389 -5.536 1.00 5.30 H new ATOM 0 HG13 VAL A 125 -2.714 13.853 -4.557 1.00 5.30 H new ATOM 0 HG21 VAL A 125 0.255 14.813 -4.782 1.00 74.15 H new ATOM 0 HG22 VAL A 125 -0.593 14.818 -3.217 1.00 74.15 H new ATOM 0 HG23 VAL A 125 0.945 13.939 -3.393 1.00 74.15 H new ATOM 440 N HIS A 126 -3.433 12.393 -2.264 1.00 33.41 N ATOM 441 CA HIS A 126 -4.517 12.914 -1.402 1.00 13.12 C ATOM 442 C HIS A 126 -4.382 12.370 0.037 1.00 73.22 C ATOM 443 O HIS A 126 -4.757 13.044 1.005 1.00 63.53 O ATOM 444 CB HIS A 126 -5.903 12.555 -1.998 1.00 60.44 C ATOM 445 CG HIS A 126 -6.206 11.074 -2.045 1.00 10.35 C ATOM 446 ND1 HIS A 126 -5.425 10.209 -2.774 1.00 73.23 N ATOM 447 CD2 HIS A 126 -7.197 10.367 -1.442 1.00 42.11 C ATOM 448 CE1 HIS A 126 -5.953 9.011 -2.603 1.00 23.52 C ATOM 449 NE2 HIS A 126 -7.025 9.059 -1.806 1.00 64.23 N ATOM 0 H HIS A 126 -3.754 11.724 -2.964 1.00 33.41 H new ATOM 0 HA HIS A 126 -4.431 14.000 -1.361 1.00 13.12 H new ATOM 0 HB2 HIS A 126 -6.676 13.052 -1.411 1.00 60.44 H new ATOM 0 HB3 HIS A 126 -5.964 12.957 -3.009 1.00 60.44 H new ATOM 0 HD2 HIS A 126 -7.971 10.761 -0.800 1.00 42.11 H new ATOM 0 HE1 HIS A 126 -5.568 8.107 -3.050 1.00 23.52 H new ATOM 0 HE2 HIS A 126 -7.605 8.270 -1.523 1.00 64.23 H new ATOM 457 N GLU A 127 -3.841 11.139 0.148 1.00 64.23 N ATOM 458 CA GLU A 127 -3.593 10.464 1.436 1.00 63.50 C ATOM 459 C GLU A 127 -2.334 11.003 2.142 1.00 72.04 C ATOM 460 O GLU A 127 -2.140 10.739 3.335 1.00 72.24 O ATOM 461 CB GLU A 127 -3.472 8.931 1.218 1.00 72.33 C ATOM 462 CG GLU A 127 -4.784 8.232 0.834 1.00 44.42 C ATOM 463 CD GLU A 127 -5.837 8.316 1.947 1.00 31.41 C ATOM 464 OE1 GLU A 127 -5.703 7.583 2.953 1.00 1.31 O ATOM 465 OE2 GLU A 127 -6.791 9.125 1.839 1.00 4.43 O ATOM 0 H GLU A 127 -3.562 10.583 -0.660 1.00 64.23 H new ATOM 0 HA GLU A 127 -4.443 10.674 2.085 1.00 63.50 H new ATOM 0 HB2 GLU A 127 -2.735 8.746 0.436 1.00 72.33 H new ATOM 0 HB3 GLU A 127 -3.088 8.477 2.132 1.00 72.33 H new ATOM 0 HG2 GLU A 127 -5.182 8.685 -0.074 1.00 44.42 H new ATOM 0 HG3 GLU A 127 -4.582 7.185 0.606 1.00 44.42 H new ATOM 472 N LEU A 128 -1.482 11.734 1.400 1.00 42.25 N ATOM 473 CA LEU A 128 -0.269 12.350 1.958 1.00 33.31 C ATOM 474 C LEU A 128 -0.622 13.464 2.955 1.00 0.31 C ATOM 475 O LEU A 128 -1.272 14.451 2.593 1.00 30.33 O ATOM 476 CB LEU A 128 0.657 12.898 0.832 1.00 40.45 C ATOM 477 CG LEU A 128 1.466 11.827 0.038 1.00 70.40 C ATOM 478 CD1 LEU A 128 2.268 12.462 -1.116 1.00 15.43 C ATOM 479 CD2 LEU A 128 2.397 11.041 0.982 1.00 22.42 C ATOM 0 H LEU A 128 -1.615 11.912 0.405 1.00 42.25 H new ATOM 0 HA LEU A 128 0.275 11.572 2.494 1.00 33.31 H new ATOM 0 HB2 LEU A 128 0.046 13.461 0.127 1.00 40.45 H new ATOM 0 HB3 LEU A 128 1.361 13.602 1.277 1.00 40.45 H new ATOM 0 HG LEU A 128 0.751 11.132 -0.403 1.00 70.40 H new ATOM 0 HD11 LEU A 128 2.819 11.685 -1.647 1.00 15.43 H new ATOM 0 HD12 LEU A 128 1.584 12.957 -1.805 1.00 15.43 H new ATOM 0 HD13 LEU A 128 2.969 13.193 -0.713 1.00 15.43 H new ATOM 0 HD21 LEU A 128 2.953 10.299 0.410 1.00 22.42 H new ATOM 0 HD22 LEU A 128 3.095 11.728 1.460 1.00 22.42 H new ATOM 0 HD23 LEU A 128 1.802 10.540 1.745 1.00 22.42 H new ATOM 491 N ARG A 129 -0.231 13.252 4.221 1.00 63.24 N ATOM 492 CA ARG A 129 -0.235 14.287 5.260 1.00 75.41 C ATOM 493 C ARG A 129 1.120 15.001 5.224 1.00 41.24 C ATOM 494 O ARG A 129 2.165 14.355 5.111 1.00 13.42 O ATOM 495 CB ARG A 129 -0.504 13.680 6.679 1.00 42.41 C ATOM 496 CG ARG A 129 -1.997 13.469 7.034 1.00 64.12 C ATOM 497 CD ARG A 129 -2.736 12.509 6.089 1.00 24.24 C ATOM 498 NE ARG A 129 -4.156 12.366 6.457 1.00 13.44 N ATOM 499 CZ ARG A 129 -5.068 11.634 5.797 1.00 14.52 C ATOM 500 NH1 ARG A 129 -4.745 10.947 4.705 1.00 23.24 N ATOM 501 NH2 ARG A 129 -6.313 11.589 6.240 1.00 61.01 N ATOM 0 H ARG A 129 0.100 12.346 4.553 1.00 63.24 H new ATOM 0 HA ARG A 129 -1.041 14.994 5.064 1.00 75.41 H new ATOM 0 HB2 ARG A 129 0.009 12.721 6.749 1.00 42.41 H new ATOM 0 HB3 ARG A 129 -0.058 14.335 7.427 1.00 42.41 H new ATOM 0 HG2 ARG A 129 -2.067 13.085 8.052 1.00 64.12 H new ATOM 0 HG3 ARG A 129 -2.502 14.435 7.022 1.00 64.12 H new ATOM 0 HD2 ARG A 129 -2.661 12.876 5.066 1.00 24.24 H new ATOM 0 HD3 ARG A 129 -2.254 11.532 6.113 1.00 24.24 H new ATOM 0 HE ARG A 129 -4.474 12.867 7.286 1.00 13.44 H new ATOM 0 HH11 ARG A 129 -3.788 10.969 4.353 1.00 23.24 H new ATOM 0 HH12 ARG A 129 -5.454 10.398 4.220 1.00 23.24 H new ATOM 0 HH21 ARG A 129 -6.575 12.108 7.078 1.00 61.01 H new ATOM 0 HH22 ARG A 129 -7.011 11.035 5.744 1.00 61.01 H new ATOM 772 N VAL A 145 10.454 33.751 11.494 1.00 75.21 N ATOM 773 CA VAL A 145 10.953 34.827 12.372 1.00 43.30 C ATOM 774 C VAL A 145 11.140 36.117 11.546 1.00 43.23 C ATOM 775 O VAL A 145 11.590 36.046 10.402 1.00 72.45 O ATOM 776 CB VAL A 145 12.316 34.401 13.042 1.00 70.14 C ATOM 777 CG1 VAL A 145 12.867 35.492 13.993 1.00 63.51 C ATOM 778 CG2 VAL A 145 12.175 33.040 13.771 1.00 74.41 C ATOM 0 HA VAL A 145 10.227 35.010 13.164 1.00 43.30 H new ATOM 0 HB VAL A 145 13.045 34.283 12.240 1.00 70.14 H new ATOM 0 HG11 VAL A 145 13.806 35.153 14.430 1.00 63.51 H new ATOM 0 HG12 VAL A 145 13.039 36.411 13.432 1.00 63.51 H new ATOM 0 HG13 VAL A 145 12.145 35.681 14.787 1.00 63.51 H new ATOM 0 HG21 VAL A 145 13.129 32.769 14.224 1.00 74.41 H new ATOM 0 HG22 VAL A 145 11.414 33.120 14.547 1.00 74.41 H new ATOM 0 HG23 VAL A 145 11.883 32.272 13.055 1.00 74.41 H new ATOM 788 N LEU A 146 10.778 37.281 12.128 1.00 71.44 N ATOM 789 CA LEU A 146 10.953 38.602 11.483 1.00 32.12 C ATOM 790 C LEU A 146 12.449 38.975 11.391 1.00 71.05 C ATOM 791 O LEU A 146 13.250 38.584 12.254 1.00 64.14 O ATOM 792 CB LEU A 146 10.184 39.698 12.274 1.00 63.04 C ATOM 793 CG LEU A 146 8.631 39.538 12.364 1.00 3.52 C ATOM 794 CD1 LEU A 146 8.001 40.662 13.222 1.00 32.42 C ATOM 795 CD2 LEU A 146 7.989 39.487 10.962 1.00 2.11 C ATOM 0 H LEU A 146 10.357 37.332 13.056 1.00 71.44 H new ATOM 0 HA LEU A 146 10.547 38.540 10.473 1.00 32.12 H new ATOM 0 HB2 LEU A 146 10.582 39.729 13.288 1.00 63.04 H new ATOM 0 HB3 LEU A 146 10.401 40.663 11.817 1.00 63.04 H new ATOM 0 HG LEU A 146 8.428 38.587 12.857 1.00 3.52 H new ATOM 0 HD11 LEU A 146 6.921 40.524 13.266 1.00 32.42 H new ATOM 0 HD12 LEU A 146 8.413 40.624 14.230 1.00 32.42 H new ATOM 0 HD13 LEU A 146 8.225 41.630 12.774 1.00 32.42 H new ATOM 0 HD21 LEU A 146 6.909 39.375 11.060 1.00 2.11 H new ATOM 0 HD22 LEU A 146 8.211 40.410 10.426 1.00 2.11 H new ATOM 0 HD23 LEU A 146 8.392 38.640 10.408 1.00 2.11 H new ATOM 807 N CYS A 147 12.805 39.732 10.340 1.00 12.34 N ATOM 808 CA CYS A 147 14.181 40.202 10.121 1.00 62.33 C ATOM 809 C CYS A 147 14.408 41.465 10.970 1.00 22.30 C ATOM 810 O CYS A 147 13.798 42.513 10.706 1.00 42.21 O ATOM 811 CB CYS A 147 14.392 40.473 8.610 1.00 51.21 C ATOM 812 SG CYS A 147 16.124 40.672 8.072 1.00 73.35 S ATOM 0 H CYS A 147 12.148 40.034 9.621 1.00 12.34 H new ATOM 0 HA CYS A 147 14.907 39.449 10.427 1.00 62.33 H new ATOM 0 HB2 CYS A 147 13.949 39.651 8.048 1.00 51.21 H new ATOM 0 HB3 CYS A 147 13.842 41.375 8.342 1.00 51.21 H new ATOM 0 HG CYS A 147 16.581 39.531 7.650 1.00 73.35 H new ATOM 817 N ASP A 148 15.292 41.352 11.981 1.00 72.43 N ATOM 818 CA ASP A 148 15.492 42.395 13.009 1.00 2.25 C ATOM 819 C ASP A 148 16.125 43.648 12.407 1.00 1.35 C ATOM 820 O ASP A 148 15.628 44.756 12.606 1.00 11.24 O ATOM 821 CB ASP A 148 16.367 41.861 14.176 1.00 64.31 C ATOM 822 CG ASP A 148 15.672 40.758 14.989 1.00 61.31 C ATOM 823 OD1 ASP A 148 14.892 41.084 15.913 1.00 22.34 O ATOM 824 OD2 ASP A 148 15.885 39.562 14.701 1.00 14.31 O ATOM 0 H ASP A 148 15.888 40.534 12.109 1.00 72.43 H new ATOM 0 HA ASP A 148 14.511 42.662 13.403 1.00 2.25 H new ATOM 0 HB2 ASP A 148 17.303 41.474 13.774 1.00 64.31 H new ATOM 0 HB3 ASP A 148 16.623 42.687 14.839 1.00 64.31 H new ATOM 829 N LYS A 149 17.220 43.456 11.657 1.00 63.45 N ATOM 830 CA LYS A 149 17.967 44.564 11.036 1.00 51.54 C ATOM 831 C LYS A 149 17.153 45.248 9.926 1.00 25.42 C ATOM 832 O LYS A 149 17.293 46.446 9.706 1.00 33.21 O ATOM 833 CB LYS A 149 19.332 44.068 10.500 1.00 23.30 C ATOM 834 CG LYS A 149 20.314 43.626 11.609 1.00 25.01 C ATOM 835 CD LYS A 149 21.710 43.246 11.061 1.00 32.54 C ATOM 836 CE LYS A 149 22.741 42.980 12.172 1.00 70.13 C ATOM 837 NZ LYS A 149 24.068 42.586 11.616 1.00 73.52 N ATOM 0 H LYS A 149 17.612 42.535 11.463 1.00 63.45 H new ATOM 0 HA LYS A 149 18.152 45.312 11.807 1.00 51.54 H new ATOM 0 HB2 LYS A 149 19.163 43.231 9.822 1.00 23.30 H new ATOM 0 HB3 LYS A 149 19.793 44.864 9.915 1.00 23.30 H new ATOM 0 HG2 LYS A 149 20.421 44.432 12.335 1.00 25.01 H new ATOM 0 HG3 LYS A 149 19.893 42.772 12.141 1.00 25.01 H new ATOM 0 HD2 LYS A 149 21.619 42.357 10.437 1.00 32.54 H new ATOM 0 HD3 LYS A 149 22.074 44.049 10.420 1.00 32.54 H new ATOM 0 HE2 LYS A 149 22.855 43.875 12.784 1.00 70.13 H new ATOM 0 HE3 LYS A 149 22.373 42.191 12.827 1.00 70.13 H new ATOM 0 HZ1 LYS A 149 24.734 42.416 12.396 1.00 73.52 H new ATOM 0 HZ2 LYS A 149 23.965 41.718 11.053 1.00 73.52 H new ATOM 0 HZ3 LYS A 149 24.431 43.350 11.011 1.00 73.52 H new ATOM 851 N PHE A 150 16.279 44.484 9.253 1.00 54.32 N ATOM 852 CA PHE A 150 15.390 45.033 8.207 1.00 5.14 C ATOM 853 C PHE A 150 14.239 45.844 8.860 1.00 30.03 C ATOM 854 O PHE A 150 13.644 46.717 8.228 1.00 10.43 O ATOM 855 CB PHE A 150 14.856 43.890 7.306 1.00 32.32 C ATOM 856 CG PHE A 150 14.205 44.361 5.997 1.00 71.54 C ATOM 857 CD1 PHE A 150 12.829 44.576 5.898 1.00 44.01 C ATOM 858 CD2 PHE A 150 14.988 44.592 4.864 1.00 44.15 C ATOM 859 CE1 PHE A 150 12.265 45.004 4.714 1.00 55.30 C ATOM 860 CE2 PHE A 150 14.419 45.019 3.682 1.00 44.13 C ATOM 861 CZ PHE A 150 13.057 45.224 3.609 1.00 72.14 C ATOM 0 H PHE A 150 16.166 43.483 9.412 1.00 54.32 H new ATOM 0 HA PHE A 150 15.954 45.715 7.571 1.00 5.14 H new ATOM 0 HB2 PHE A 150 15.680 43.219 7.066 1.00 32.32 H new ATOM 0 HB3 PHE A 150 14.127 43.310 7.871 1.00 32.32 H new ATOM 0 HD1 PHE A 150 12.199 44.405 6.758 1.00 44.01 H new ATOM 0 HD2 PHE A 150 16.055 44.434 4.914 1.00 44.15 H new ATOM 0 HE1 PHE A 150 11.199 45.167 4.653 1.00 55.30 H new ATOM 0 HE2 PHE A 150 15.039 45.193 2.815 1.00 44.13 H new ATOM 0 HZ PHE A 150 12.611 45.558 2.684 1.00 72.14 H new ATOM 871 N SER A 151 13.940 45.536 10.133 1.00 33.14 N ATOM 872 CA SER A 151 12.926 46.257 10.923 1.00 32.32 C ATOM 873 C SER A 151 13.537 47.511 11.605 1.00 51.21 C ATOM 874 O SER A 151 12.838 48.511 11.810 1.00 13.24 O ATOM 875 CB SER A 151 12.317 45.298 11.976 1.00 42.02 C ATOM 876 OG SER A 151 11.237 45.895 12.680 1.00 2.35 O ATOM 0 H SER A 151 14.395 44.780 10.644 1.00 33.14 H new ATOM 0 HA SER A 151 12.137 46.602 10.255 1.00 32.32 H new ATOM 0 HB2 SER A 151 11.970 44.391 11.482 1.00 42.02 H new ATOM 0 HB3 SER A 151 13.090 44.999 12.684 1.00 42.02 H new ATOM 0 HG SER A 151 10.880 45.258 13.333 1.00 2.35 H new ATOM 882 N MET A 152 14.848 47.449 11.945 1.00 73.23 N ATOM 883 CA MET A 152 15.538 48.529 12.698 1.00 41.03 C ATOM 884 C MET A 152 16.164 49.575 11.753 1.00 51.11 C ATOM 885 O MET A 152 15.895 50.774 11.887 1.00 1.42 O ATOM 886 CB MET A 152 16.626 47.937 13.644 1.00 5.35 C ATOM 887 CG MET A 152 16.071 47.082 14.799 1.00 70.04 C ATOM 888 SD MET A 152 17.349 46.468 15.927 1.00 32.02 S ATOM 889 CE MET A 152 18.361 45.448 14.849 1.00 61.11 C ATOM 0 H MET A 152 15.451 46.661 11.709 1.00 73.23 H new ATOM 0 HA MET A 152 14.784 49.034 13.302 1.00 41.03 H new ATOM 0 HB2 MET A 152 17.310 47.327 13.054 1.00 5.35 H new ATOM 0 HB3 MET A 152 17.210 48.756 14.063 1.00 5.35 H new ATOM 0 HG2 MET A 152 15.352 47.674 15.366 1.00 70.04 H new ATOM 0 HG3 MET A 152 15.527 46.234 14.383 1.00 70.04 H new ATOM 0 HE1 MET A 152 19.138 44.958 15.436 1.00 61.11 H new ATOM 0 HE2 MET A 152 17.737 44.693 14.371 1.00 61.11 H new ATOM 0 HE3 MET A 152 18.824 46.073 14.085 1.00 61.11 H new ATOM 899 N THR A 153 16.985 49.108 10.792 1.00 75.43 N ATOM 900 CA THR A 153 17.709 49.993 9.842 1.00 25.21 C ATOM 901 C THR A 153 16.942 50.115 8.510 1.00 22.04 C ATOM 902 O THR A 153 17.158 51.064 7.746 1.00 24.03 O ATOM 903 CB THR A 153 19.166 49.474 9.549 1.00 11.44 C ATOM 904 OG1 THR A 153 19.126 48.246 8.799 1.00 72.14 O ATOM 905 CG2 THR A 153 19.973 49.244 10.842 1.00 72.45 C ATOM 0 H THR A 153 17.168 48.115 10.648 1.00 75.43 H new ATOM 0 HA THR A 153 17.777 50.972 10.317 1.00 25.21 H new ATOM 0 HB THR A 153 19.662 50.251 8.967 1.00 11.44 H new ATOM 0 HG1 THR A 153 18.494 47.626 9.220 1.00 72.14 H new ATOM 0 HG21 THR A 153 20.971 48.886 10.589 1.00 72.45 H new ATOM 0 HG22 THR A 153 20.052 50.181 11.393 1.00 72.45 H new ATOM 0 HG23 THR A 153 19.467 48.502 11.459 1.00 72.45 H new ATOM 913 N GLY A 154 16.054 49.140 8.244 1.00 15.12 N ATOM 914 CA GLY A 154 15.285 49.097 6.997 1.00 53.24 C ATOM 915 C GLY A 154 15.986 48.313 5.894 1.00 11.42 C ATOM 916 O GLY A 154 15.448 48.189 4.787 1.00 60.20 O ATOM 0 H GLY A 154 15.854 48.370 8.882 1.00 15.12 H new ATOM 0 HA2 GLY A 154 14.311 48.648 7.192 1.00 53.24 H new ATOM 0 HA3 GLY A 154 15.103 50.115 6.653 1.00 53.24 H new ATOM 920 N ASN A 155 17.193 47.780 6.197 1.00 41.23 N ATOM 921 CA ASN A 155 18.042 47.073 5.214 1.00 64.55 C ATOM 922 C ASN A 155 18.546 45.739 5.783 1.00 30.13 C ATOM 923 O ASN A 155 18.823 45.620 6.985 1.00 14.44 O ATOM 924 CB ASN A 155 19.251 47.951 4.781 1.00 72.15 C ATOM 925 CG ASN A 155 18.830 49.216 4.028 1.00 44.23 C ATOM 926 OD1 ASN A 155 18.648 50.280 4.623 1.00 51.41 O ATOM 927 ND2 ASN A 155 18.647 49.103 2.720 1.00 13.01 N ATOM 0 H ASN A 155 17.604 47.829 7.129 1.00 41.23 H new ATOM 0 HA ASN A 155 17.427 46.872 4.337 1.00 64.55 H new ATOM 0 HB2 ASN A 155 19.823 48.234 5.665 1.00 72.15 H new ATOM 0 HB3 ASN A 155 19.914 47.361 4.148 1.00 72.15 H new ATOM 0 HD21 ASN A 155 18.347 49.911 2.175 1.00 13.01 H new ATOM 0 HD22 ASN A 155 18.807 48.208 2.258 1.00 13.01 H new ATOM 934 N CYS A 156 18.644 44.738 4.893 1.00 53.44 N ATOM 935 CA CYS A 156 19.168 43.401 5.197 1.00 74.12 C ATOM 936 C CYS A 156 20.351 43.101 4.253 1.00 22.15 C ATOM 937 O CYS A 156 20.188 43.128 3.024 1.00 61.32 O ATOM 938 CB CYS A 156 18.047 42.359 5.035 1.00 75.34 C ATOM 939 SG CYS A 156 18.503 40.655 5.488 1.00 21.31 S ATOM 0 H CYS A 156 18.354 44.841 3.921 1.00 53.44 H new ATOM 0 HA CYS A 156 19.523 43.357 6.227 1.00 74.12 H new ATOM 0 HB2 CYS A 156 17.197 42.665 5.645 1.00 75.34 H new ATOM 0 HB3 CYS A 156 17.714 42.365 3.997 1.00 75.34 H new ATOM 0 HG CYS A 156 17.723 40.236 6.440 1.00 21.31 H new ATOM 944 N LYS A 157 21.528 42.803 4.838 1.00 73.43 N ATOM 945 CA LYS A 157 22.798 42.613 4.093 1.00 45.44 C ATOM 946 C LYS A 157 22.829 41.284 3.299 1.00 74.31 C ATOM 947 O LYS A 157 23.686 41.092 2.427 1.00 0.11 O ATOM 948 CB LYS A 157 24.001 42.686 5.079 1.00 13.31 C ATOM 949 CG LYS A 157 23.961 41.652 6.230 1.00 74.42 C ATOM 950 CD LYS A 157 25.192 41.701 7.179 1.00 62.11 C ATOM 951 CE LYS A 157 25.264 42.967 8.066 1.00 64.14 C ATOM 952 NZ LYS A 157 25.668 44.198 7.331 1.00 15.20 N ATOM 0 H LYS A 157 21.630 42.686 5.846 1.00 73.43 H new ATOM 0 HA LYS A 157 22.872 43.417 3.361 1.00 45.44 H new ATOM 0 HB2 LYS A 157 24.923 42.546 4.515 1.00 13.31 H new ATOM 0 HB3 LYS A 157 24.039 43.687 5.510 1.00 13.31 H new ATOM 0 HG2 LYS A 157 23.058 41.815 6.818 1.00 74.42 H new ATOM 0 HG3 LYS A 157 23.887 40.652 5.802 1.00 74.42 H new ATOM 0 HD2 LYS A 157 25.175 40.821 7.823 1.00 62.11 H new ATOM 0 HD3 LYS A 157 26.100 41.640 6.580 1.00 62.11 H new ATOM 0 HE2 LYS A 157 24.289 43.133 8.524 1.00 64.14 H new ATOM 0 HE3 LYS A 157 25.972 42.791 8.876 1.00 64.14 H new ATOM 0 HZ1 LYS A 157 26.439 44.671 7.844 1.00 15.20 H new ATOM 0 HZ2 LYS A 157 25.993 43.942 6.377 1.00 15.20 H new ATOM 0 HZ3 LYS A 157 24.854 44.842 7.259 1.00 15.20 H new ATOM 966 N TYR A 158 21.907 40.365 3.634 1.00 74.44 N ATOM 967 CA TYR A 158 21.753 39.076 2.930 1.00 22.20 C ATOM 968 C TYR A 158 20.824 39.220 1.711 1.00 24.21 C ATOM 969 O TYR A 158 20.952 38.466 0.743 1.00 72.53 O ATOM 970 CB TYR A 158 21.196 37.995 3.894 1.00 11.25 C ATOM 971 CG TYR A 158 22.175 37.552 4.991 1.00 3.33 C ATOM 972 CD1 TYR A 158 22.929 36.385 4.852 1.00 53.20 C ATOM 973 CD2 TYR A 158 22.353 38.300 6.158 1.00 25.13 C ATOM 974 CE1 TYR A 158 23.813 35.976 5.833 1.00 53.31 C ATOM 975 CE2 TYR A 158 23.238 37.894 7.139 1.00 51.53 C ATOM 976 CZ TYR A 158 23.966 36.735 6.972 1.00 2.33 C ATOM 977 OH TYR A 158 24.846 36.330 7.955 1.00 54.23 O ATOM 0 H TYR A 158 21.246 40.493 4.401 1.00 74.44 H new ATOM 0 HA TYR A 158 22.737 38.767 2.579 1.00 22.20 H new ATOM 0 HB2 TYR A 158 20.291 38.379 4.366 1.00 11.25 H new ATOM 0 HB3 TYR A 158 20.905 37.122 3.310 1.00 11.25 H new ATOM 0 HD1 TYR A 158 22.819 35.789 3.958 1.00 53.20 H new ATOM 0 HD2 TYR A 158 21.789 39.211 6.296 1.00 25.13 H new ATOM 0 HE1 TYR A 158 24.381 35.066 5.707 1.00 53.31 H new ATOM 0 HE2 TYR A 158 23.359 38.484 8.035 1.00 51.53 H new ATOM 0 HH TYR A 158 24.835 36.977 8.691 1.00 54.23 H new ATOM 987 N GLY A 159 19.899 40.198 1.770 1.00 13.22 N ATOM 988 CA GLY A 159 18.873 40.359 0.738 1.00 21.12 C ATOM 989 C GLY A 159 17.916 39.169 0.698 1.00 53.51 C ATOM 990 O GLY A 159 17.366 38.793 1.732 1.00 74.34 O ATOM 0 H GLY A 159 19.847 40.884 2.523 1.00 13.22 H new ATOM 0 HA2 GLY A 159 18.309 41.273 0.926 1.00 21.12 H new ATOM 0 HA3 GLY A 159 19.351 40.474 -0.235 1.00 21.12 H new ATOM 994 N THR A 160 17.753 38.545 -0.483 1.00 52.25 N ATOM 995 CA THR A 160 16.863 37.373 -0.658 1.00 71.41 C ATOM 996 C THR A 160 17.442 36.094 0.000 1.00 15.32 C ATOM 997 O THR A 160 16.715 35.116 0.204 1.00 31.51 O ATOM 998 CB THR A 160 16.575 37.109 -2.172 1.00 60.44 C ATOM 999 OG1 THR A 160 17.811 36.975 -2.886 1.00 70.50 O ATOM 1000 CG2 THR A 160 15.731 38.231 -2.807 1.00 62.43 C ATOM 0 H THR A 160 18.228 38.833 -1.339 1.00 52.25 H new ATOM 0 HA THR A 160 15.927 37.613 -0.153 1.00 71.41 H new ATOM 0 HB THR A 160 16.001 36.185 -2.239 1.00 60.44 H new ATOM 0 HG1 THR A 160 17.625 36.808 -3.834 1.00 70.50 H new ATOM 0 HG21 THR A 160 15.556 38.004 -3.859 1.00 62.43 H new ATOM 0 HG22 THR A 160 14.775 38.305 -2.288 1.00 62.43 H new ATOM 0 HG23 THR A 160 16.264 39.178 -2.724 1.00 62.43 H new ATOM 1008 N ARG A 161 18.753 36.119 0.330 1.00 0.35 N ATOM 1009 CA ARG A 161 19.445 35.000 1.018 1.00 73.13 C ATOM 1010 C ARG A 161 19.048 34.916 2.511 1.00 74.01 C ATOM 1011 O ARG A 161 19.298 33.900 3.166 1.00 72.21 O ATOM 1012 CB ARG A 161 20.982 35.164 0.873 1.00 3.35 C ATOM 1013 CG ARG A 161 21.475 35.227 -0.590 1.00 21.11 C ATOM 1014 CD ARG A 161 22.993 35.459 -0.711 1.00 51.40 C ATOM 1015 NE ARG A 161 23.421 36.720 -0.065 1.00 72.31 N ATOM 1016 CZ ARG A 161 23.776 37.855 -0.702 1.00 41.14 C ATOM 1017 NH1 ARG A 161 23.761 37.934 -2.032 1.00 11.00 N ATOM 1018 NH2 ARG A 161 24.161 38.908 0.002 1.00 31.44 N ATOM 0 H ARG A 161 19.362 36.912 0.129 1.00 0.35 H new ATOM 0 HA ARG A 161 19.135 34.068 0.545 1.00 73.13 H new ATOM 0 HB2 ARG A 161 21.290 36.074 1.388 1.00 3.35 H new ATOM 0 HB3 ARG A 161 21.474 34.331 1.375 1.00 3.35 H new ATOM 0 HG2 ARG A 161 21.215 34.296 -1.094 1.00 21.11 H new ATOM 0 HG3 ARG A 161 20.949 36.028 -1.109 1.00 21.11 H new ATOM 0 HD2 ARG A 161 23.524 34.622 -0.257 1.00 51.40 H new ATOM 0 HD3 ARG A 161 23.272 35.480 -1.764 1.00 51.40 H new ATOM 0 HE ARG A 161 23.450 36.732 0.955 1.00 72.31 H new ATOM 0 HH11 ARG A 161 23.477 37.127 -2.588 1.00 11.00 H new ATOM 0 HH12 ARG A 161 24.033 38.801 -2.494 1.00 11.00 H new ATOM 0 HH21 ARG A 161 24.188 38.858 1.020 1.00 31.44 H new ATOM 0 HH22 ARG A 161 24.431 39.769 -0.474 1.00 31.44 H new ATOM 1032 N CYS A 162 18.440 36.005 3.032 1.00 51.10 N ATOM 1033 CA CYS A 162 17.939 36.083 4.415 1.00 14.13 C ATOM 1034 C CYS A 162 16.744 35.128 4.608 1.00 43.41 C ATOM 1035 O CYS A 162 15.777 35.176 3.839 1.00 21.53 O ATOM 1036 CB CYS A 162 17.529 37.543 4.720 1.00 64.51 C ATOM 1037 SG CYS A 162 16.940 37.876 6.412 1.00 45.54 S ATOM 0 H CYS A 162 18.284 36.859 2.497 1.00 51.10 H new ATOM 0 HA CYS A 162 18.724 35.778 5.107 1.00 14.13 H new ATOM 0 HB2 CYS A 162 18.385 38.188 4.522 1.00 64.51 H new ATOM 0 HB3 CYS A 162 16.744 37.832 4.021 1.00 64.51 H new ATOM 0 HG CYS A 162 17.924 38.324 7.134 1.00 45.54 H new ATOM 1042 N GLN A 163 16.821 34.273 5.643 1.00 34.51 N ATOM 1043 CA GLN A 163 15.768 33.276 5.961 1.00 3.24 C ATOM 1044 C GLN A 163 14.644 33.882 6.824 1.00 12.24 C ATOM 1045 O GLN A 163 13.769 33.154 7.306 1.00 73.20 O ATOM 1046 CB GLN A 163 16.391 32.053 6.689 1.00 4.03 C ATOM 1047 CG GLN A 163 17.053 32.366 8.049 1.00 30.45 C ATOM 1048 CD GLN A 163 17.554 31.123 8.792 1.00 14.30 C ATOM 1049 OE1 GLN A 163 16.995 30.032 8.665 1.00 12.41 O ATOM 1050 NE2 GLN A 163 18.603 31.280 9.579 1.00 71.42 N ATOM 0 H GLN A 163 17.612 34.249 6.286 1.00 34.51 H new ATOM 0 HA GLN A 163 15.327 32.954 5.018 1.00 3.24 H new ATOM 0 HB2 GLN A 163 15.612 31.307 6.845 1.00 4.03 H new ATOM 0 HB3 GLN A 163 17.137 31.602 6.035 1.00 4.03 H new ATOM 0 HG2 GLN A 163 17.891 33.044 7.887 1.00 30.45 H new ATOM 0 HG3 GLN A 163 16.336 32.891 8.680 1.00 30.45 H new ATOM 0 HE21 GLN A 163 19.045 32.196 9.664 1.00 71.42 H new ATOM 0 HE22 GLN A 163 18.972 30.486 10.102 1.00 71.42 H new ATOM 1059 N PHE A 164 14.668 35.210 6.997 1.00 61.51 N ATOM 1060 CA PHE A 164 13.751 35.937 7.883 1.00 40.23 C ATOM 1061 C PHE A 164 12.812 36.838 7.065 1.00 30.42 C ATOM 1062 O PHE A 164 13.187 37.324 5.987 1.00 52.35 O ATOM 1063 CB PHE A 164 14.566 36.770 8.900 1.00 62.42 C ATOM 1064 CG PHE A 164 15.542 35.944 9.740 1.00 72.12 C ATOM 1065 CD1 PHE A 164 15.072 35.066 10.713 1.00 62.41 C ATOM 1066 CD2 PHE A 164 16.923 36.050 9.558 1.00 62.52 C ATOM 1067 CE1 PHE A 164 15.946 34.318 11.477 1.00 61.20 C ATOM 1068 CE2 PHE A 164 17.796 35.301 10.325 1.00 34.22 C ATOM 1069 CZ PHE A 164 17.307 34.435 11.283 1.00 74.34 C ATOM 0 H PHE A 164 15.334 35.817 6.519 1.00 61.51 H new ATOM 0 HA PHE A 164 13.136 35.221 8.427 1.00 40.23 H new ATOM 0 HB2 PHE A 164 15.124 37.537 8.362 1.00 62.42 H new ATOM 0 HB3 PHE A 164 13.876 37.287 9.567 1.00 62.42 H new ATOM 0 HD1 PHE A 164 14.008 34.968 10.873 1.00 62.41 H new ATOM 0 HD2 PHE A 164 17.313 36.724 8.810 1.00 62.52 H new ATOM 0 HE1 PHE A 164 15.564 33.641 12.227 1.00 61.20 H new ATOM 0 HE2 PHE A 164 18.862 35.393 10.175 1.00 34.22 H new ATOM 0 HZ PHE A 164 17.990 33.849 11.880 1.00 74.34 H new ATOM 1079 N ILE A 165 11.594 37.038 7.600 1.00 63.10 N ATOM 1080 CA ILE A 165 10.514 37.808 6.953 1.00 72.41 C ATOM 1081 C ILE A 165 10.916 39.286 6.791 1.00 5.24 C ATOM 1082 O ILE A 165 11.190 39.966 7.788 1.00 4.32 O ATOM 1083 CB ILE A 165 9.182 37.752 7.800 1.00 53.33 C ATOM 1084 CG1 ILE A 165 8.797 36.287 8.163 1.00 44.13 C ATOM 1085 CG2 ILE A 165 8.017 38.467 7.063 1.00 55.14 C ATOM 1086 CD1 ILE A 165 7.592 36.154 9.083 1.00 13.44 C ATOM 0 H ILE A 165 11.327 36.663 8.510 1.00 63.10 H new ATOM 0 HA ILE A 165 10.346 37.356 5.976 1.00 72.41 H new ATOM 0 HB ILE A 165 9.367 38.285 8.733 1.00 53.33 H new ATOM 0 HG12 ILE A 165 8.596 35.740 7.242 1.00 44.13 H new ATOM 0 HG13 ILE A 165 9.653 35.808 8.637 1.00 44.13 H new ATOM 0 HG21 ILE A 165 7.114 38.412 7.671 1.00 55.14 H new ATOM 0 HG22 ILE A 165 8.279 39.512 6.896 1.00 55.14 H new ATOM 0 HG23 ILE A 165 7.840 37.980 6.104 1.00 55.14 H new ATOM 0 HD11 ILE A 165 7.399 35.099 9.280 1.00 13.44 H new ATOM 0 HD12 ILE A 165 7.793 36.668 10.023 1.00 13.44 H new ATOM 0 HD13 ILE A 165 6.719 36.599 8.606 1.00 13.44 H new ATOM 1098 N HIS A 166 10.949 39.767 5.541 1.00 42.40 N ATOM 1099 CA HIS A 166 11.205 41.181 5.237 1.00 41.51 C ATOM 1100 C HIS A 166 9.876 41.947 5.134 1.00 55.34 C ATOM 1101 O HIS A 166 9.219 41.946 4.088 1.00 30.23 O ATOM 1102 CB HIS A 166 12.040 41.328 3.932 1.00 64.43 C ATOM 1103 CG HIS A 166 13.469 40.880 4.054 1.00 61.22 C ATOM 1104 ND1 HIS A 166 14.360 40.875 3.011 1.00 64.42 N ATOM 1105 CD2 HIS A 166 14.170 40.481 5.146 1.00 63.44 C ATOM 1106 CE1 HIS A 166 15.544 40.491 3.487 1.00 21.24 C ATOM 1107 NE2 HIS A 166 15.488 40.236 4.788 1.00 71.11 N ATOM 0 H HIS A 166 10.799 39.189 4.714 1.00 42.40 H new ATOM 0 HA HIS A 166 11.789 41.612 6.050 1.00 41.51 H new ATOM 0 HB2 HIS A 166 11.558 40.753 3.141 1.00 64.43 H new ATOM 0 HB3 HIS A 166 12.025 42.373 3.622 1.00 64.43 H new ATOM 0 HD2 HIS A 166 13.764 40.371 6.141 1.00 63.44 H new ATOM 0 HE1 HIS A 166 16.438 40.399 2.888 1.00 21.24 H new ATOM 0 HE2 HIS A 166 16.249 39.927 5.393 1.00 71.11 H new ATOM 1115 N LYS A 167 9.469 42.554 6.259 1.00 21.02 N ATOM 1116 CA LYS A 167 8.364 43.522 6.308 1.00 14.33 C ATOM 1117 C LYS A 167 8.963 44.934 6.266 1.00 3.03 C ATOM 1118 O LYS A 167 9.726 45.311 7.163 1.00 64.31 O ATOM 1119 CB LYS A 167 7.501 43.321 7.589 1.00 20.11 C ATOM 1120 CG LYS A 167 6.585 42.072 7.562 1.00 12.43 C ATOM 1121 CD LYS A 167 5.704 41.958 8.834 1.00 30.14 C ATOM 1122 CE LYS A 167 4.599 40.890 8.714 1.00 53.55 C ATOM 1123 NZ LYS A 167 5.134 39.516 8.516 1.00 62.23 N ATOM 0 H LYS A 167 9.901 42.385 7.167 1.00 21.02 H new ATOM 0 HA LYS A 167 7.704 43.373 5.453 1.00 14.33 H new ATOM 0 HB2 LYS A 167 8.165 43.249 8.451 1.00 20.11 H new ATOM 0 HB3 LYS A 167 6.882 44.206 7.736 1.00 20.11 H new ATOM 0 HG2 LYS A 167 5.944 42.114 6.682 1.00 12.43 H new ATOM 0 HG3 LYS A 167 7.199 41.176 7.467 1.00 12.43 H new ATOM 0 HD2 LYS A 167 6.339 41.720 9.688 1.00 30.14 H new ATOM 0 HD3 LYS A 167 5.245 42.925 9.038 1.00 30.14 H new ATOM 0 HE2 LYS A 167 3.985 40.908 9.615 1.00 53.55 H new ATOM 0 HE3 LYS A 167 3.946 41.143 7.878 1.00 53.55 H new ATOM 0 HZ1 LYS A 167 4.401 38.820 8.760 1.00 62.23 H new ATOM 0 HZ2 LYS A 167 5.412 39.392 7.522 1.00 62.23 H new ATOM 0 HZ3 LYS A 167 5.963 39.375 9.128 1.00 62.23 H new