USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=20 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 93:sc= 1.18 USER MOD Set 1.2: A 156 CYS SG : rot 137:sc= 0.856 USER MOD Set 1.3: A 162 CYS SG : rot -84:sc= 0.903 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 0.103 K(o=3,f=-9.7!) USER MOD Set 2.1: A 104 CYS SG : rot 123:sc= 0.514 USER MOD Set 2.2: A 113 CYS SG : rot 172:sc= 0.315 USER MOD Set 2.3: A 119 CYS SG : rot -155:sc= 1.91 USER MOD Set 2.4: A 123 HIS : no HE2:sc= 0.581 K(o=3.3,f=-9.3!) USER MOD Single : A 100 LYS NZ :NH3+ 148:sc= 1.55 (180deg=0.859) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -148:sc= -1.02 (180deg=-2.47!) 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) 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= -0.24 X(o=-0.24,f=-0.0041) USER MOD Single : A 126 HIS : no HD1:sc= -0.553 K(o=-0.55,f=-3) USER MOD Single : A 149 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00589) USER MOD Single : A 151 SER OG : rot -14:sc= 0.556 USER MOD Single : A 152 MET CE :methyl -169:sc= -0.319 (180deg=-0.811) USER MOD Single : A 153 THR OG1 : rot -20:sc= 1.25 USER MOD Single : A 155 ASN : amide:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0.00148 USER MOD Single : A 163 GLN : amide:sc= -0.728 K(o=-0.73,f=-1.8!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 2.206 8.259 9.653 1.00 61.54 N ATOM 37 CA PHE A 99 0.886 8.052 9.028 1.00 22.42 C ATOM 38 C PHE A 99 0.694 9.027 7.856 1.00 45.14 C ATOM 39 O PHE A 99 0.608 10.246 8.056 1.00 73.13 O ATOM 40 CB PHE A 99 -0.272 8.218 10.055 1.00 62.32 C ATOM 41 CG PHE A 99 -0.507 6.997 10.947 1.00 73.20 C ATOM 42 CD1 PHE A 99 -1.385 5.990 10.543 1.00 41.32 C ATOM 43 CD2 PHE A 99 0.139 6.853 12.174 1.00 53.33 C ATOM 44 CE1 PHE A 99 -1.609 4.880 11.334 1.00 31.42 C ATOM 45 CE2 PHE A 99 -0.086 5.739 12.966 1.00 51.20 C ATOM 46 CZ PHE A 99 -0.961 4.753 12.545 1.00 25.32 C ATOM 0 HA PHE A 99 0.856 7.028 8.655 1.00 22.42 H new ATOM 0 HB2 PHE A 99 -0.059 9.079 10.688 1.00 62.32 H new ATOM 0 HB3 PHE A 99 -1.192 8.440 9.514 1.00 62.32 H new ATOM 0 HD1 PHE A 99 -1.898 6.080 9.597 1.00 41.32 H new ATOM 0 HD2 PHE A 99 0.822 7.618 12.511 1.00 53.33 H new ATOM 0 HE1 PHE A 99 -2.292 4.111 11.004 1.00 31.42 H new ATOM 0 HE2 PHE A 99 0.422 5.640 13.914 1.00 51.20 H new ATOM 0 HZ PHE A 99 -1.136 3.885 13.164 1.00 25.32 H new ATOM 56 N LYS A 100 0.689 8.458 6.628 1.00 51.51 N ATOM 57 CA LYS A 100 0.254 9.120 5.374 1.00 22.15 C ATOM 58 C LYS A 100 1.219 10.221 4.871 1.00 52.24 C ATOM 59 O LYS A 100 1.069 10.689 3.746 1.00 31.45 O ATOM 60 CB LYS A 100 -1.210 9.660 5.501 1.00 25.12 C ATOM 61 CG LYS A 100 -2.251 8.604 5.954 1.00 14.24 C ATOM 62 CD LYS A 100 -2.335 7.384 5.005 1.00 4.34 C ATOM 63 CE LYS A 100 -3.202 6.245 5.568 1.00 51.50 C ATOM 64 NZ LYS A 100 -3.215 5.060 4.665 1.00 42.24 N ATOM 0 H LYS A 100 0.996 7.497 6.477 1.00 51.51 H new ATOM 0 HA LYS A 100 0.278 8.344 4.609 1.00 22.15 H new ATOM 0 HB2 LYS A 100 -1.218 10.487 6.211 1.00 25.12 H new ATOM 0 HB3 LYS A 100 -1.519 10.065 4.537 1.00 25.12 H new ATOM 0 HG2 LYS A 100 -1.997 8.260 6.956 1.00 14.24 H new ATOM 0 HG3 LYS A 100 -3.232 9.075 6.018 1.00 14.24 H new ATOM 0 HD2 LYS A 100 -2.743 7.704 4.046 1.00 4.34 H new ATOM 0 HD3 LYS A 100 -1.330 7.008 4.815 1.00 4.34 H new ATOM 0 HE2 LYS A 100 -2.825 5.951 6.547 1.00 51.50 H new ATOM 0 HE3 LYS A 100 -4.221 6.602 5.713 1.00 51.50 H new ATOM 0 HZ1 LYS A 100 -3.306 4.193 5.232 1.00 42.24 H new ATOM 0 HZ2 LYS A 100 -4.020 5.131 4.010 1.00 42.24 H new ATOM 0 HZ3 LYS A 100 -2.329 5.027 4.122 1.00 42.24 H new ATOM 78 N THR A 101 2.224 10.601 5.688 1.00 24.22 N ATOM 79 CA THR A 101 3.238 11.615 5.330 1.00 33.42 C ATOM 80 C THR A 101 4.247 11.076 4.283 1.00 53.40 C ATOM 81 O THR A 101 5.041 11.838 3.717 1.00 2.30 O ATOM 82 CB THR A 101 3.987 12.106 6.614 1.00 40.11 C ATOM 83 OG1 THR A 101 4.426 10.969 7.381 1.00 11.31 O ATOM 84 CG2 THR A 101 3.091 13.004 7.494 1.00 5.55 C ATOM 0 H THR A 101 2.355 10.210 6.621 1.00 24.22 H new ATOM 0 HA THR A 101 2.719 12.459 4.876 1.00 33.42 H new ATOM 0 HB THR A 101 4.844 12.699 6.293 1.00 40.11 H new ATOM 0 HG1 THR A 101 4.896 11.278 8.184 1.00 11.31 H new ATOM 0 HG21 THR A 101 3.649 13.323 8.374 1.00 5.55 H new ATOM 0 HG22 THR A 101 2.781 13.880 6.924 1.00 5.55 H new ATOM 0 HG23 THR A 101 2.209 12.444 7.806 1.00 5.55 H new ATOM 92 N ALA A 102 4.193 9.755 4.045 1.00 54.13 N ATOM 93 CA ALA A 102 4.965 9.059 3.006 1.00 61.53 C ATOM 94 C ALA A 102 4.051 8.028 2.322 1.00 33.53 C ATOM 95 O ALA A 102 3.120 7.504 2.952 1.00 71.04 O ATOM 96 CB ALA A 102 6.209 8.386 3.614 1.00 3.13 C ATOM 0 H ALA A 102 3.596 9.127 4.584 1.00 54.13 H new ATOM 0 HA ALA A 102 5.317 9.775 2.263 1.00 61.53 H new ATOM 0 HB1 ALA A 102 6.767 7.876 2.829 1.00 3.13 H new ATOM 0 HB2 ALA A 102 6.843 9.143 4.077 1.00 3.13 H new ATOM 0 HB3 ALA A 102 5.899 7.662 4.368 1.00 3.13 H new ATOM 102 N LEU A 103 4.313 7.764 1.033 1.00 63.21 N ATOM 103 CA LEU A 103 3.540 6.803 0.220 1.00 14.12 C ATOM 104 C LEU A 103 3.898 5.347 0.575 1.00 21.35 C ATOM 105 O LEU A 103 4.954 5.063 1.155 1.00 34.12 O ATOM 106 CB LEU A 103 3.773 7.063 -1.295 1.00 0.25 C ATOM 107 CG LEU A 103 3.151 8.375 -1.868 1.00 50.32 C ATOM 108 CD1 LEU A 103 3.674 8.670 -3.291 1.00 12.25 C ATOM 109 CD2 LEU A 103 1.604 8.313 -1.850 1.00 12.21 C ATOM 0 H LEU A 103 5.071 8.212 0.519 1.00 63.21 H new ATOM 0 HA LEU A 103 2.484 6.951 0.446 1.00 14.12 H new ATOM 0 HB2 LEU A 103 4.847 7.083 -1.479 1.00 0.25 H new ATOM 0 HB3 LEU A 103 3.370 6.219 -1.854 1.00 0.25 H new ATOM 0 HG LEU A 103 3.463 9.196 -1.222 1.00 50.32 H new ATOM 0 HD11 LEU A 103 3.222 9.590 -3.661 1.00 12.25 H new ATOM 0 HD12 LEU A 103 4.758 8.784 -3.264 1.00 12.25 H new ATOM 0 HD13 LEU A 103 3.412 7.845 -3.953 1.00 12.25 H new ATOM 0 HD21 LEU A 103 1.198 9.240 -2.255 1.00 12.21 H new ATOM 0 HD22 LEU A 103 1.266 7.473 -2.458 1.00 12.21 H new ATOM 0 HD23 LEU A 103 1.257 8.182 -0.825 1.00 12.21 H new ATOM 121 N CYS A 104 2.975 4.449 0.229 1.00 43.35 N ATOM 122 CA CYS A 104 3.104 3.002 0.430 1.00 65.31 C ATOM 123 C CYS A 104 3.943 2.389 -0.707 1.00 3.13 C ATOM 124 O CYS A 104 3.595 2.546 -1.875 1.00 64.44 O ATOM 125 CB CYS A 104 1.680 2.407 0.484 1.00 72.24 C ATOM 126 SG CYS A 104 1.550 0.596 0.582 1.00 13.33 S ATOM 0 H CYS A 104 2.093 4.713 -0.210 1.00 43.35 H new ATOM 0 HA CYS A 104 3.621 2.776 1.363 1.00 65.31 H new ATOM 0 HB2 CYS A 104 1.167 2.831 1.347 1.00 72.24 H new ATOM 0 HB3 CYS A 104 1.140 2.739 -0.403 1.00 72.24 H new ATOM 0 HG CYS A 104 0.877 0.266 1.644 1.00 13.33 H new ATOM 131 N ASP A 105 5.051 1.708 -0.347 1.00 15.41 N ATOM 132 CA ASP A 105 5.999 1.108 -1.321 1.00 31.31 C ATOM 133 C ASP A 105 5.318 0.035 -2.189 1.00 4.02 C ATOM 134 O ASP A 105 5.595 -0.076 -3.388 1.00 24.04 O ATOM 135 CB ASP A 105 7.230 0.504 -0.591 1.00 2.44 C ATOM 136 CG ASP A 105 6.885 -0.621 0.410 1.00 62.11 C ATOM 137 OD1 ASP A 105 6.568 -0.310 1.577 1.00 15.43 O ATOM 138 OD2 ASP A 105 6.904 -1.812 0.028 1.00 60.42 O ATOM 0 H ASP A 105 5.317 1.556 0.626 1.00 15.41 H new ATOM 0 HA ASP A 105 6.337 1.908 -1.980 1.00 31.31 H new ATOM 0 HB2 ASP A 105 7.923 0.112 -1.335 1.00 2.44 H new ATOM 0 HB3 ASP A 105 7.750 1.301 -0.059 1.00 2.44 H new ATOM 143 N ALA A 106 4.436 -0.748 -1.548 1.00 23.42 N ATOM 144 CA ALA A 106 3.622 -1.784 -2.211 1.00 32.15 C ATOM 145 C ALA A 106 2.678 -1.155 -3.256 1.00 70.43 C ATOM 146 O ALA A 106 2.459 -1.722 -4.328 1.00 12.43 O ATOM 147 CB ALA A 106 2.829 -2.575 -1.156 1.00 55.32 C ATOM 0 H ALA A 106 4.265 -0.680 -0.545 1.00 23.42 H new ATOM 0 HA ALA A 106 4.285 -2.470 -2.738 1.00 32.15 H new ATOM 0 HB1 ALA A 106 2.229 -3.339 -1.650 1.00 55.32 H new ATOM 0 HB2 ALA A 106 3.521 -3.050 -0.461 1.00 55.32 H new ATOM 0 HB3 ALA A 106 2.174 -1.897 -0.609 1.00 55.32 H new ATOM 153 N TYR A 107 2.159 0.041 -2.924 1.00 53.24 N ATOM 154 CA TYR A 107 1.287 0.828 -3.812 1.00 63.24 C ATOM 155 C TYR A 107 2.079 1.404 -5.013 1.00 20.40 C ATOM 156 O TYR A 107 1.581 1.416 -6.143 1.00 4.12 O ATOM 157 CB TYR A 107 0.596 1.961 -2.998 1.00 63.12 C ATOM 158 CG TYR A 107 -0.079 3.052 -3.847 1.00 2.10 C ATOM 159 CD1 TYR A 107 -1.231 2.777 -4.591 1.00 22.34 C ATOM 160 CD2 TYR A 107 0.455 4.347 -3.925 1.00 21.13 C ATOM 161 CE1 TYR A 107 -1.817 3.749 -5.377 1.00 32.24 C ATOM 162 CE2 TYR A 107 -0.135 5.318 -4.704 1.00 2.24 C ATOM 163 CZ TYR A 107 -1.267 5.016 -5.430 1.00 54.32 C ATOM 164 OH TYR A 107 -1.848 5.984 -6.221 1.00 61.12 O ATOM 0 H TYR A 107 2.335 0.491 -2.026 1.00 53.24 H new ATOM 0 HA TYR A 107 0.520 0.170 -4.220 1.00 63.24 H new ATOM 0 HB2 TYR A 107 -0.154 1.514 -2.345 1.00 63.12 H new ATOM 0 HB3 TYR A 107 1.340 2.431 -2.354 1.00 63.12 H new ATOM 0 HD1 TYR A 107 -1.668 1.790 -4.550 1.00 22.34 H new ATOM 0 HD2 TYR A 107 1.346 4.587 -3.364 1.00 21.13 H new ATOM 0 HE1 TYR A 107 -2.704 3.520 -5.949 1.00 32.24 H new ATOM 0 HE2 TYR A 107 0.287 6.311 -4.746 1.00 2.24 H new ATOM 0 HH TYR A 107 -1.339 6.818 -6.144 1.00 61.12 H new ATOM 174 N LYS A 108 3.306 1.883 -4.759 1.00 24.32 N ATOM 175 CA LYS A 108 4.125 2.556 -5.789 1.00 11.10 C ATOM 176 C LYS A 108 4.642 1.561 -6.846 1.00 21.03 C ATOM 177 O LYS A 108 4.661 1.868 -8.045 1.00 60.14 O ATOM 178 CB LYS A 108 5.315 3.309 -5.135 1.00 14.55 C ATOM 179 CG LYS A 108 4.903 4.439 -4.162 1.00 4.12 C ATOM 180 CD LYS A 108 6.106 5.259 -3.615 1.00 32.20 C ATOM 181 CE LYS A 108 6.650 6.321 -4.603 1.00 42.53 C ATOM 182 NZ LYS A 108 7.233 5.741 -5.844 1.00 34.00 N ATOM 0 H LYS A 108 3.758 1.818 -3.847 1.00 24.32 H new ATOM 0 HA LYS A 108 3.483 3.277 -6.295 1.00 11.10 H new ATOM 0 HB2 LYS A 108 5.931 2.590 -4.596 1.00 14.55 H new ATOM 0 HB3 LYS A 108 5.937 3.734 -5.923 1.00 14.55 H new ATOM 0 HG2 LYS A 108 4.216 5.114 -4.672 1.00 4.12 H new ATOM 0 HG3 LYS A 108 4.359 4.005 -3.323 1.00 4.12 H new ATOM 0 HD2 LYS A 108 5.803 5.757 -2.694 1.00 32.20 H new ATOM 0 HD3 LYS A 108 6.912 4.572 -3.356 1.00 32.20 H new ATOM 0 HE2 LYS A 108 5.841 6.999 -4.875 1.00 42.53 H new ATOM 0 HE3 LYS A 108 7.411 6.917 -4.099 1.00 42.53 H new ATOM 0 HZ1 LYS A 108 8.010 6.346 -6.178 1.00 34.00 H new ATOM 0 HZ2 LYS A 108 7.598 4.788 -5.644 1.00 34.00 H new ATOM 0 HZ3 LYS A 108 6.499 5.683 -6.578 1.00 34.00 H new ATOM 196 N ARG A 109 5.041 0.367 -6.387 1.00 74.51 N ATOM 197 CA ARG A 109 5.680 -0.652 -7.243 1.00 55.22 C ATOM 198 C ARG A 109 4.641 -1.605 -7.870 1.00 40.32 C ATOM 199 O ARG A 109 4.618 -1.798 -9.089 1.00 11.44 O ATOM 200 CB ARG A 109 6.705 -1.458 -6.405 1.00 74.42 C ATOM 201 CG ARG A 109 7.861 -0.613 -5.817 1.00 74.54 C ATOM 202 CD ARG A 109 8.784 -1.433 -4.898 1.00 5.42 C ATOM 203 NE ARG A 109 8.055 -1.962 -3.720 1.00 74.42 N ATOM 204 CZ ARG A 109 8.085 -3.235 -3.282 1.00 21.24 C ATOM 205 NH1 ARG A 109 8.805 -4.155 -3.913 1.00 1.42 N ATOM 206 NH2 ARG A 109 7.391 -3.580 -2.207 1.00 41.12 N ATOM 0 H ARG A 109 4.932 0.077 -5.415 1.00 74.51 H new ATOM 0 HA ARG A 109 6.189 -0.140 -8.060 1.00 55.22 H new ATOM 0 HB2 ARG A 109 6.179 -1.950 -5.587 1.00 74.42 H new ATOM 0 HB3 ARG A 109 7.128 -2.244 -7.030 1.00 74.42 H new ATOM 0 HG2 ARG A 109 8.448 -0.190 -6.632 1.00 74.54 H new ATOM 0 HG3 ARG A 109 7.446 0.224 -5.256 1.00 74.54 H new ATOM 0 HD2 ARG A 109 9.216 -2.261 -5.461 1.00 5.42 H new ATOM 0 HD3 ARG A 109 9.612 -0.809 -4.563 1.00 5.42 H new ATOM 0 HE ARG A 109 7.480 -1.303 -3.195 1.00 74.42 H new ATOM 0 HH11 ARG A 109 9.345 -3.901 -4.741 1.00 1.42 H new ATOM 0 HH12 ARG A 109 8.819 -5.116 -3.570 1.00 1.42 H new ATOM 0 HH21 ARG A 109 6.835 -2.882 -1.713 1.00 41.12 H new ATOM 0 HH22 ARG A 109 7.412 -4.544 -1.874 1.00 41.12 H new ATOM 220 N SER A 110 3.765 -2.167 -7.022 1.00 74.44 N ATOM 221 CA SER A 110 2.858 -3.277 -7.405 1.00 53.22 C ATOM 222 C SER A 110 1.378 -2.841 -7.438 1.00 35.51 C ATOM 223 O SER A 110 0.541 -3.554 -8.006 1.00 32.33 O ATOM 224 CB SER A 110 3.047 -4.435 -6.400 1.00 14.14 C ATOM 225 OG SER A 110 4.414 -4.803 -6.287 1.00 11.01 O ATOM 0 H SER A 110 3.660 -1.870 -6.052 1.00 74.44 H new ATOM 0 HA SER A 110 3.115 -3.597 -8.415 1.00 53.22 H new ATOM 0 HB2 SER A 110 2.667 -4.137 -5.423 1.00 14.14 H new ATOM 0 HB3 SER A 110 2.462 -5.297 -6.721 1.00 14.14 H new ATOM 0 HG SER A 110 4.503 -5.536 -5.643 1.00 11.01 H new ATOM 231 N GLN A 111 1.086 -1.683 -6.802 1.00 75.13 N ATOM 232 CA GLN A 111 -0.276 -1.122 -6.577 1.00 71.14 C ATOM 233 C GLN A 111 -1.035 -1.878 -5.458 1.00 31.53 C ATOM 234 O GLN A 111 -1.622 -1.246 -4.573 1.00 23.22 O ATOM 235 CB GLN A 111 -1.126 -1.003 -7.878 1.00 70.43 C ATOM 236 CG GLN A 111 -2.452 -0.232 -7.695 1.00 2.54 C ATOM 237 CD GLN A 111 -3.229 -0.028 -8.996 1.00 23.10 C ATOM 238 OE1 GLN A 111 -4.060 -0.855 -9.378 1.00 72.24 O ATOM 239 NE2 GLN A 111 -2.964 1.073 -9.687 1.00 22.31 N ATOM 0 H GLN A 111 1.818 -1.087 -6.415 1.00 75.13 H new ATOM 0 HA GLN A 111 -0.119 -0.099 -6.235 1.00 71.14 H new ATOM 0 HB2 GLN A 111 -0.531 -0.505 -8.644 1.00 70.43 H new ATOM 0 HB3 GLN A 111 -1.348 -2.004 -8.247 1.00 70.43 H new ATOM 0 HG2 GLN A 111 -3.081 -0.772 -6.987 1.00 2.54 H new ATOM 0 HG3 GLN A 111 -2.238 0.741 -7.253 1.00 2.54 H new ATOM 0 HE21 GLN A 111 -2.270 1.737 -9.342 1.00 22.31 H new ATOM 0 HE22 GLN A 111 -3.454 1.256 -10.563 1.00 22.31 H new ATOM 248 N ALA A 112 -1.017 -3.221 -5.503 1.00 15.23 N ATOM 249 CA ALA A 112 -1.658 -4.076 -4.489 1.00 43.22 C ATOM 250 C ALA A 112 -0.884 -4.031 -3.150 1.00 53.11 C ATOM 251 O ALA A 112 0.267 -4.480 -3.070 1.00 35.55 O ATOM 252 CB ALA A 112 -1.772 -5.516 -5.018 1.00 51.35 C ATOM 0 H ALA A 112 -0.556 -3.746 -6.246 1.00 15.23 H new ATOM 0 HA ALA A 112 -2.661 -3.696 -4.295 1.00 43.22 H new ATOM 0 HB1 ALA A 112 -2.247 -6.144 -4.264 1.00 51.35 H new ATOM 0 HB2 ALA A 112 -2.373 -5.523 -5.927 1.00 51.35 H new ATOM 0 HB3 ALA A 112 -0.777 -5.903 -5.238 1.00 51.35 H new ATOM 258 N CYS A 113 -1.526 -3.450 -2.122 1.00 63.42 N ATOM 259 CA CYS A 113 -0.992 -3.373 -0.752 1.00 64.30 C ATOM 260 C CYS A 113 -1.628 -4.483 0.110 1.00 34.40 C ATOM 261 O CYS A 113 -2.859 -4.591 0.170 1.00 21.35 O ATOM 262 CB CYS A 113 -1.299 -1.978 -0.168 1.00 10.32 C ATOM 263 SG CYS A 113 -0.716 -1.684 1.536 1.00 54.21 S ATOM 0 H CYS A 113 -2.443 -3.015 -2.221 1.00 63.42 H new ATOM 0 HA CYS A 113 0.088 -3.520 -0.760 1.00 64.30 H new ATOM 0 HB2 CYS A 113 -0.853 -1.226 -0.819 1.00 10.32 H new ATOM 0 HB3 CYS A 113 -2.378 -1.823 -0.195 1.00 10.32 H new ATOM 0 HG CYS A 113 -0.880 -0.431 1.841 1.00 54.21 H new ATOM 268 N SER A 114 -0.777 -5.290 0.769 1.00 64.20 N ATOM 269 CA SER A 114 -1.204 -6.448 1.585 1.00 20.24 C ATOM 270 C SER A 114 -2.010 -6.008 2.826 1.00 32.24 C ATOM 271 O SER A 114 -2.992 -6.664 3.200 1.00 53.03 O ATOM 272 CB SER A 114 0.036 -7.272 2.011 1.00 61.02 C ATOM 273 OG SER A 114 -0.324 -8.445 2.725 1.00 13.11 O ATOM 0 H SER A 114 0.234 -5.158 0.752 1.00 64.20 H new ATOM 0 HA SER A 114 -1.861 -7.068 0.974 1.00 20.24 H new ATOM 0 HB2 SER A 114 0.609 -7.548 1.126 1.00 61.02 H new ATOM 0 HB3 SER A 114 0.685 -6.655 2.632 1.00 61.02 H new ATOM 0 HG SER A 114 0.486 -8.938 2.974 1.00 13.11 H new ATOM 279 N TYR A 115 -1.586 -4.889 3.450 1.00 13.53 N ATOM 280 CA TYR A 115 -2.243 -4.346 4.659 1.00 43.04 C ATOM 281 C TYR A 115 -3.597 -3.687 4.306 1.00 12.23 C ATOM 282 O TYR A 115 -4.524 -3.684 5.123 1.00 60.34 O ATOM 283 CB TYR A 115 -1.314 -3.326 5.371 1.00 40.20 C ATOM 284 CG TYR A 115 0.084 -3.864 5.745 1.00 72.30 C ATOM 285 CD1 TYR A 115 0.249 -5.118 6.344 1.00 55.35 C ATOM 286 CD2 TYR A 115 1.238 -3.108 5.510 1.00 62.12 C ATOM 287 CE1 TYR A 115 1.504 -5.593 6.686 1.00 34.21 C ATOM 288 CE2 TYR A 115 2.489 -3.583 5.850 1.00 51.13 C ATOM 289 CZ TYR A 115 2.619 -4.822 6.436 1.00 64.10 C ATOM 290 OH TYR A 115 3.872 -5.294 6.773 1.00 74.23 O ATOM 0 H TYR A 115 -0.786 -4.340 3.134 1.00 13.53 H new ATOM 0 HA TYR A 115 -2.437 -5.176 5.339 1.00 43.04 H new ATOM 0 HB2 TYR A 115 -1.191 -2.457 4.724 1.00 40.20 H new ATOM 0 HB3 TYR A 115 -1.808 -2.980 6.279 1.00 40.20 H new ATOM 0 HD1 TYR A 115 -0.620 -5.728 6.544 1.00 55.35 H new ATOM 0 HD2 TYR A 115 1.148 -2.133 5.053 1.00 62.12 H new ATOM 0 HE1 TYR A 115 1.609 -6.564 7.147 1.00 34.21 H new ATOM 0 HE2 TYR A 115 3.366 -2.983 5.656 1.00 51.13 H new ATOM 0 HH TYR A 115 4.549 -4.629 6.529 1.00 74.23 H new ATOM 300 N GLY A 116 -3.683 -3.128 3.078 1.00 74.54 N ATOM 301 CA GLY A 116 -4.914 -2.511 2.573 1.00 65.32 C ATOM 302 C GLY A 116 -5.274 -1.222 3.309 1.00 15.23 C ATOM 303 O GLY A 116 -4.489 -0.279 3.314 1.00 5.05 O ATOM 0 H GLY A 116 -2.904 -3.096 2.420 1.00 74.54 H new ATOM 0 HA2 GLY A 116 -4.799 -2.297 1.510 1.00 65.32 H new ATOM 0 HA3 GLY A 116 -5.736 -3.220 2.668 1.00 65.32 H new ATOM 307 N ASP A 117 -6.452 -1.191 3.953 1.00 74.01 N ATOM 308 CA ASP A 117 -6.914 -0.020 4.736 1.00 35.42 C ATOM 309 C ASP A 117 -6.253 0.033 6.129 1.00 55.21 C ATOM 310 O ASP A 117 -6.424 1.012 6.865 1.00 21.44 O ATOM 311 CB ASP A 117 -8.457 -0.024 4.871 1.00 74.34 C ATOM 312 CG ASP A 117 -9.176 0.164 3.526 1.00 4.21 C ATOM 313 OD1 ASP A 117 -9.607 -0.840 2.917 1.00 40.44 O ATOM 314 OD2 ASP A 117 -9.308 1.320 3.067 1.00 12.31 O ATOM 0 H ASP A 117 -7.112 -1.969 3.950 1.00 74.01 H new ATOM 0 HA ASP A 117 -6.612 0.874 4.191 1.00 35.42 H new ATOM 0 HB2 ASP A 117 -8.775 -0.966 5.319 1.00 74.34 H new ATOM 0 HB3 ASP A 117 -8.759 0.771 5.553 1.00 74.34 H new ATOM 319 N GLN A 118 -5.507 -1.028 6.486 1.00 41.01 N ATOM 320 CA GLN A 118 -4.702 -1.071 7.726 1.00 71.33 C ATOM 321 C GLN A 118 -3.261 -0.566 7.467 1.00 4.43 C ATOM 322 O GLN A 118 -2.435 -0.560 8.384 1.00 34.32 O ATOM 323 CB GLN A 118 -4.691 -2.514 8.302 1.00 52.25 C ATOM 324 CG GLN A 118 -6.093 -3.087 8.621 1.00 74.52 C ATOM 325 CD GLN A 118 -6.893 -2.295 9.672 1.00 72.32 C ATOM 326 OE1 GLN A 118 -8.122 -2.220 9.599 1.00 31.21 O ATOM 327 NE2 GLN A 118 -6.226 -1.737 10.678 1.00 20.33 N ATOM 0 H GLN A 118 -5.443 -1.879 5.927 1.00 41.01 H new ATOM 0 HA GLN A 118 -5.157 -0.407 8.461 1.00 71.33 H new ATOM 0 HB2 GLN A 118 -4.197 -3.173 7.588 1.00 52.25 H new ATOM 0 HB3 GLN A 118 -4.092 -2.524 9.213 1.00 52.25 H new ATOM 0 HG2 GLN A 118 -6.672 -3.126 7.698 1.00 74.52 H new ATOM 0 HG3 GLN A 118 -5.979 -4.113 8.970 1.00 74.52 H new ATOM 0 HE21 GLN A 118 -5.210 -1.811 10.719 1.00 20.33 H new ATOM 0 HE22 GLN A 118 -6.731 -1.235 11.408 1.00 20.33 H new ATOM 336 N CYS A 119 -2.981 -0.150 6.213 1.00 24.34 N ATOM 337 CA CYS A 119 -1.683 0.418 5.800 1.00 31.23 C ATOM 338 C CYS A 119 -1.546 1.852 6.340 1.00 72.52 C ATOM 339 O CYS A 119 -2.410 2.700 6.069 1.00 52.43 O ATOM 340 CB CYS A 119 -1.602 0.396 4.254 1.00 12.32 C ATOM 341 SG CYS A 119 -0.057 1.021 3.518 1.00 72.02 S ATOM 0 H CYS A 119 -3.658 -0.200 5.452 1.00 24.34 H new ATOM 0 HA CYS A 119 -0.864 -0.174 6.208 1.00 31.23 H new ATOM 0 HB2 CYS A 119 -1.750 -0.630 3.918 1.00 12.32 H new ATOM 0 HB3 CYS A 119 -2.431 0.983 3.860 1.00 12.32 H new ATOM 0 HG CYS A 119 -0.289 1.435 2.308 1.00 72.02 H new ATOM 346 N ARG A 120 -0.476 2.110 7.123 1.00 44.51 N ATOM 347 CA ARG A 120 -0.233 3.442 7.730 1.00 3.14 C ATOM 348 C ARG A 120 0.233 4.466 6.680 1.00 53.21 C ATOM 349 O ARG A 120 0.027 5.668 6.853 1.00 73.52 O ATOM 350 CB ARG A 120 0.781 3.391 8.923 1.00 25.12 C ATOM 351 CG ARG A 120 2.228 2.910 8.613 1.00 43.20 C ATOM 352 CD ARG A 120 2.392 1.382 8.680 1.00 43.12 C ATOM 353 NE ARG A 120 3.788 0.955 8.472 1.00 61.24 N ATOM 354 CZ ARG A 120 4.200 -0.322 8.356 1.00 21.33 C ATOM 355 NH1 ARG A 120 3.334 -1.331 8.421 1.00 43.43 N ATOM 356 NH2 ARG A 120 5.485 -0.586 8.183 1.00 65.34 N ATOM 0 H ARG A 120 0.235 1.415 7.351 1.00 44.51 H new ATOM 0 HA ARG A 120 -1.193 3.765 8.133 1.00 3.14 H new ATOM 0 HB2 ARG A 120 0.843 4.390 9.355 1.00 25.12 H new ATOM 0 HB3 ARG A 120 0.366 2.737 9.690 1.00 25.12 H new ATOM 0 HG2 ARG A 120 2.512 3.255 7.619 1.00 43.20 H new ATOM 0 HG3 ARG A 120 2.916 3.373 9.320 1.00 43.20 H new ATOM 0 HD2 ARG A 120 2.047 1.025 9.650 1.00 43.12 H new ATOM 0 HD3 ARG A 120 1.757 0.918 7.925 1.00 43.12 H new ATOM 0 HE ARG A 120 4.498 1.685 8.411 1.00 61.24 H new ATOM 0 HH11 ARG A 120 2.341 -1.143 8.561 1.00 43.43 H new ATOM 0 HH12 ARG A 120 3.663 -2.292 8.331 1.00 43.43 H new ATOM 0 HH21 ARG A 120 6.161 0.177 8.138 1.00 65.34 H new ATOM 0 HH22 ARG A 120 5.800 -1.552 8.095 1.00 65.34 H new ATOM 370 N PHE A 121 0.853 3.979 5.591 1.00 70.22 N ATOM 371 CA PHE A 121 1.352 4.839 4.499 1.00 60.44 C ATOM 372 C PHE A 121 0.257 5.083 3.434 1.00 14.52 C ATOM 373 O PHE A 121 -0.708 4.312 3.323 1.00 10.34 O ATOM 374 CB PHE A 121 2.627 4.222 3.880 1.00 11.52 C ATOM 375 CG PHE A 121 3.811 4.153 4.852 1.00 20.24 C ATOM 376 CD1 PHE A 121 4.310 2.932 5.306 1.00 14.53 C ATOM 377 CD2 PHE A 121 4.415 5.323 5.317 1.00 40.22 C ATOM 378 CE1 PHE A 121 5.371 2.882 6.188 1.00 11.52 C ATOM 379 CE2 PHE A 121 5.477 5.272 6.201 1.00 55.31 C ATOM 380 CZ PHE A 121 5.956 4.051 6.636 1.00 3.52 C ATOM 0 H PHE A 121 1.023 2.984 5.442 1.00 70.22 H new ATOM 0 HA PHE A 121 1.613 5.813 4.912 1.00 60.44 H new ATOM 0 HB2 PHE A 121 2.399 3.216 3.527 1.00 11.52 H new ATOM 0 HB3 PHE A 121 2.917 4.808 3.008 1.00 11.52 H new ATOM 0 HD1 PHE A 121 3.860 2.012 4.963 1.00 14.53 H new ATOM 0 HD2 PHE A 121 4.047 6.281 4.981 1.00 40.22 H new ATOM 0 HE1 PHE A 121 5.744 1.928 6.528 1.00 11.52 H new ATOM 0 HE2 PHE A 121 5.932 6.187 6.552 1.00 55.31 H new ATOM 0 HZ PHE A 121 6.786 4.010 7.325 1.00 3.52 H new ATOM 390 N ALA A 122 0.437 6.166 2.658 1.00 24.00 N ATOM 391 CA ALA A 122 -0.592 6.725 1.758 1.00 24.52 C ATOM 392 C ALA A 122 -0.746 5.924 0.451 1.00 5.32 C ATOM 393 O ALA A 122 0.247 5.516 -0.158 1.00 52.33 O ATOM 394 CB ALA A 122 -0.242 8.188 1.454 1.00 21.21 C ATOM 0 H ALA A 122 1.314 6.687 2.637 1.00 24.00 H new ATOM 0 HA ALA A 122 -1.553 6.661 2.267 1.00 24.52 H new ATOM 0 HB1 ALA A 122 -0.995 8.612 0.790 1.00 21.21 H new ATOM 0 HB2 ALA A 122 -0.217 8.757 2.384 1.00 21.21 H new ATOM 0 HB3 ALA A 122 0.735 8.236 0.972 1.00 21.21 H new ATOM 400 N HIS A 123 -2.008 5.719 0.024 1.00 34.01 N ATOM 401 CA HIS A 123 -2.346 5.036 -1.247 1.00 3.12 C ATOM 402 C HIS A 123 -2.816 6.063 -2.293 1.00 55.02 C ATOM 403 O HIS A 123 -3.778 5.830 -3.041 1.00 63.45 O ATOM 404 CB HIS A 123 -3.425 3.943 -0.997 1.00 51.13 C ATOM 405 CG HIS A 123 -2.961 2.767 -0.179 1.00 1.24 C ATOM 406 ND1 HIS A 123 -3.783 1.739 0.211 1.00 13.31 N ATOM 407 CD2 HIS A 123 -1.725 2.444 0.278 1.00 10.54 C ATOM 408 CE1 HIS A 123 -3.048 0.849 0.870 1.00 3.53 C ATOM 409 NE2 HIS A 123 -1.777 1.225 0.941 1.00 34.43 N ATOM 0 H HIS A 123 -2.827 6.023 0.551 1.00 34.01 H new ATOM 0 HA HIS A 123 -1.456 4.544 -1.639 1.00 3.12 H new ATOM 0 HB2 HIS A 123 -4.277 4.402 -0.495 1.00 51.13 H new ATOM 0 HB3 HIS A 123 -3.782 3.578 -1.960 1.00 51.13 H new ATOM 0 HD1 HIS A 123 -4.784 1.670 0.027 1.00 13.31 H new ATOM 0 HD2 HIS A 123 -0.836 3.043 0.146 1.00 10.54 H new ATOM 0 HE1 HIS A 123 -3.436 -0.065 1.294 1.00 3.53 H new ATOM 417 N GLY A 124 -2.086 7.185 -2.366 1.00 3.43 N ATOM 418 CA GLY A 124 -2.356 8.249 -3.334 1.00 23.23 C ATOM 419 C GLY A 124 -2.043 9.619 -2.770 1.00 31.11 C ATOM 420 O GLY A 124 -1.822 9.755 -1.561 1.00 64.40 O ATOM 0 H GLY A 124 -1.293 7.377 -1.754 1.00 3.43 H new ATOM 0 HA2 GLY A 124 -1.762 8.082 -4.232 1.00 23.23 H new ATOM 0 HA3 GLY A 124 -3.403 8.210 -3.633 1.00 23.23 H new ATOM 424 N VAL A 125 -2.042 10.641 -3.649 1.00 33.12 N ATOM 425 CA VAL A 125 -1.723 12.037 -3.271 1.00 34.04 C ATOM 426 C VAL A 125 -2.850 12.651 -2.401 1.00 21.40 C ATOM 427 O VAL A 125 -2.605 13.569 -1.609 1.00 14.21 O ATOM 428 CB VAL A 125 -1.435 12.928 -4.544 1.00 70.13 C ATOM 429 CG1 VAL A 125 -2.701 13.125 -5.415 1.00 64.22 C ATOM 430 CG2 VAL A 125 -0.789 14.287 -4.162 1.00 51.30 C ATOM 0 H VAL A 125 -2.261 10.525 -4.638 1.00 33.12 H new ATOM 0 HA VAL A 125 -0.812 12.016 -2.672 1.00 34.04 H new ATOM 0 HB VAL A 125 -0.711 12.384 -5.151 1.00 70.13 H new ATOM 0 HG11 VAL A 125 -2.456 13.743 -6.278 1.00 64.22 H new ATOM 0 HG12 VAL A 125 -3.064 12.155 -5.755 1.00 64.22 H new ATOM 0 HG13 VAL A 125 -3.476 13.616 -4.825 1.00 64.22 H new ATOM 0 HG21 VAL A 125 -0.607 14.870 -5.065 1.00 51.30 H new ATOM 0 HG22 VAL A 125 -1.462 14.838 -3.504 1.00 51.30 H new ATOM 0 HG23 VAL A 125 0.156 14.109 -3.648 1.00 51.30 H new ATOM 440 N HIS A 126 -4.076 12.097 -2.535 1.00 23.34 N ATOM 441 CA HIS A 126 -5.249 12.500 -1.730 1.00 52.51 C ATOM 442 C HIS A 126 -5.049 12.132 -0.242 1.00 11.45 C ATOM 443 O HIS A 126 -5.567 12.811 0.649 1.00 13.44 O ATOM 444 CB HIS A 126 -6.539 11.839 -2.292 1.00 32.12 C ATOM 445 CG HIS A 126 -6.599 10.332 -2.159 1.00 50.13 C ATOM 446 ND1 HIS A 126 -5.649 9.526 -2.733 1.00 53.05 N ATOM 447 CD2 HIS A 126 -7.490 9.550 -1.495 1.00 74.44 C ATOM 448 CE1 HIS A 126 -5.976 8.292 -2.411 1.00 63.54 C ATOM 449 NE2 HIS A 126 -7.082 8.250 -1.659 1.00 62.11 N ATOM 0 H HIS A 126 -4.279 11.356 -3.206 1.00 23.34 H new ATOM 0 HA HIS A 126 -5.356 13.583 -1.796 1.00 52.51 H new ATOM 0 HB2 HIS A 126 -7.401 12.268 -1.781 1.00 32.12 H new ATOM 0 HB3 HIS A 126 -6.632 12.099 -3.346 1.00 32.12 H new ATOM 0 HD2 HIS A 126 -8.355 9.887 -0.943 1.00 74.44 H new ATOM 0 HE1 HIS A 126 -5.419 7.419 -2.717 1.00 63.54 H new ATOM 0 HE2 HIS A 126 -7.533 7.416 -1.282 1.00 62.11 H new ATOM 457 N GLU A 127 -4.309 11.032 0.001 1.00 20.10 N ATOM 458 CA GLU A 127 -3.919 10.589 1.353 1.00 43.02 C ATOM 459 C GLU A 127 -2.549 11.161 1.748 1.00 50.13 C ATOM 460 O GLU A 127 -2.261 11.294 2.936 1.00 24.22 O ATOM 461 CB GLU A 127 -3.873 9.038 1.418 1.00 3.53 C ATOM 462 CG GLU A 127 -5.243 8.345 1.310 1.00 42.12 C ATOM 463 CD GLU A 127 -5.140 6.811 1.237 1.00 25.33 C ATOM 464 OE1 GLU A 127 -5.604 6.218 0.241 1.00 12.12 O ATOM 465 OE2 GLU A 127 -4.580 6.196 2.174 1.00 63.31 O ATOM 0 H GLU A 127 -3.963 10.423 -0.740 1.00 20.10 H new ATOM 0 HA GLU A 127 -4.666 10.960 2.055 1.00 43.02 H new ATOM 0 HB2 GLU A 127 -3.233 8.674 0.614 1.00 3.53 H new ATOM 0 HB3 GLU A 127 -3.405 8.742 2.357 1.00 3.53 H new ATOM 0 HG2 GLU A 127 -5.852 8.622 2.171 1.00 42.12 H new ATOM 0 HG3 GLU A 127 -5.760 8.711 0.423 1.00 42.12 H new ATOM 472 N LEU A 128 -1.709 11.489 0.743 1.00 50.02 N ATOM 473 CA LEU A 128 -0.323 11.927 0.977 1.00 13.12 C ATOM 474 C LEU A 128 -0.290 13.326 1.609 1.00 73.12 C ATOM 475 O LEU A 128 -0.714 14.315 0.999 1.00 21.22 O ATOM 476 CB LEU A 128 0.513 11.889 -0.329 1.00 21.14 C ATOM 477 CG LEU A 128 2.032 12.235 -0.177 1.00 2.34 C ATOM 478 CD1 LEU A 128 2.737 11.293 0.827 1.00 71.34 C ATOM 479 CD2 LEU A 128 2.753 12.223 -1.542 1.00 32.25 C ATOM 0 H LEU A 128 -1.972 11.457 -0.242 1.00 50.02 H new ATOM 0 HA LEU A 128 0.130 11.226 1.678 1.00 13.12 H new ATOM 0 HB2 LEU A 128 0.429 10.893 -0.763 1.00 21.14 H new ATOM 0 HB3 LEU A 128 0.071 12.586 -1.041 1.00 21.14 H new ATOM 0 HG LEU A 128 2.089 13.247 0.224 1.00 2.34 H new ATOM 0 HD11 LEU A 128 3.789 11.566 0.904 1.00 71.34 H new ATOM 0 HD12 LEU A 128 2.265 11.385 1.805 1.00 71.34 H new ATOM 0 HD13 LEU A 128 2.654 10.263 0.480 1.00 71.34 H new ATOM 0 HD21 LEU A 128 3.806 12.467 -1.400 1.00 32.25 H new ATOM 0 HD22 LEU A 128 2.668 11.233 -1.990 1.00 32.25 H new ATOM 0 HD23 LEU A 128 2.295 12.960 -2.202 1.00 32.25 H new ATOM 491 N ARG A 129 0.194 13.366 2.854 1.00 51.12 N ATOM 492 CA ARG A 129 0.333 14.583 3.651 1.00 61.25 C ATOM 493 C ARG A 129 1.778 15.078 3.549 1.00 64.41 C ATOM 494 O ARG A 129 2.714 14.265 3.525 1.00 64.34 O ATOM 495 CB ARG A 129 -0.034 14.285 5.135 1.00 3.11 C ATOM 496 CG ARG A 129 -1.363 13.517 5.325 1.00 35.05 C ATOM 497 CD ARG A 129 -2.574 14.226 4.690 1.00 52.55 C ATOM 498 NE ARG A 129 -3.787 13.389 4.743 1.00 5.30 N ATOM 499 CZ ARG A 129 -4.844 13.500 3.922 1.00 22.33 C ATOM 500 NH1 ARG A 129 -4.873 14.419 2.962 1.00 71.25 N ATOM 501 NH2 ARG A 129 -5.868 12.672 4.057 1.00 11.42 N ATOM 0 H ARG A 129 0.508 12.529 3.346 1.00 51.12 H new ATOM 0 HA ARG A 129 -0.341 15.353 3.276 1.00 61.25 H new ATOM 0 HB2 ARG A 129 0.773 13.707 5.587 1.00 3.11 H new ATOM 0 HB3 ARG A 129 -0.093 15.228 5.678 1.00 3.11 H new ATOM 0 HG2 ARG A 129 -1.265 12.522 4.891 1.00 35.05 H new ATOM 0 HG3 ARG A 129 -1.548 13.383 6.391 1.00 35.05 H new ATOM 0 HD2 ARG A 129 -2.758 15.167 5.209 1.00 52.55 H new ATOM 0 HD3 ARG A 129 -2.348 14.473 3.653 1.00 52.55 H new ATOM 0 HE ARG A 129 -3.826 12.667 5.462 1.00 5.30 H new ATOM 0 HH11 ARG A 129 -4.084 15.054 2.840 1.00 71.25 H new ATOM 0 HH12 ARG A 129 -5.684 14.489 2.347 1.00 71.25 H new ATOM 0 HH21 ARG A 129 -5.852 11.954 4.782 1.00 11.42 H new ATOM 0 HH22 ARG A 129 -6.673 12.752 3.436 1.00 11.42 H new ATOM 772 N VAL A 145 8.004 41.845 11.389 1.00 52.21 N ATOM 773 CA VAL A 145 8.171 42.339 12.774 1.00 63.23 C ATOM 774 C VAL A 145 6.785 42.686 13.354 1.00 20.40 C ATOM 775 O VAL A 145 5.949 43.221 12.638 1.00 74.24 O ATOM 776 CB VAL A 145 9.116 43.601 12.818 1.00 35.40 C ATOM 777 CG1 VAL A 145 9.379 44.068 14.270 1.00 62.24 C ATOM 778 CG2 VAL A 145 10.449 43.325 12.073 1.00 1.45 C ATOM 0 HA VAL A 145 8.637 41.558 13.375 1.00 63.23 H new ATOM 0 HB VAL A 145 8.601 44.412 12.302 1.00 35.40 H new ATOM 0 HG11 VAL A 145 10.034 44.939 14.259 1.00 62.24 H new ATOM 0 HG12 VAL A 145 8.434 44.331 14.745 1.00 62.24 H new ATOM 0 HG13 VAL A 145 9.855 43.263 14.830 1.00 62.24 H new ATOM 0 HG21 VAL A 145 11.082 44.211 12.119 1.00 1.45 H new ATOM 0 HG22 VAL A 145 10.963 42.488 12.545 1.00 1.45 H new ATOM 0 HG23 VAL A 145 10.240 43.082 11.031 1.00 1.45 H new ATOM 788 N LEU A 146 6.559 42.376 14.648 1.00 61.11 N ATOM 789 CA LEU A 146 5.255 42.598 15.325 1.00 33.13 C ATOM 790 C LEU A 146 4.964 44.104 15.533 1.00 21.21 C ATOM 791 O LEU A 146 5.889 44.922 15.649 1.00 11.30 O ATOM 792 CB LEU A 146 5.227 41.845 16.687 1.00 30.53 C ATOM 793 CG LEU A 146 5.466 40.297 16.623 1.00 33.33 C ATOM 794 CD1 LEU A 146 5.518 39.673 18.037 1.00 74.33 C ATOM 795 CD2 LEU A 146 4.405 39.593 15.745 1.00 70.52 C ATOM 0 H LEU A 146 7.269 41.966 15.254 1.00 61.11 H new ATOM 0 HA LEU A 146 4.472 42.202 14.679 1.00 33.13 H new ATOM 0 HB2 LEU A 146 5.985 42.283 17.337 1.00 30.53 H new ATOM 0 HB3 LEU A 146 4.261 42.024 17.158 1.00 30.53 H new ATOM 0 HG LEU A 146 6.438 40.141 16.155 1.00 33.33 H new ATOM 0 HD11 LEU A 146 5.685 38.599 17.955 1.00 74.33 H new ATOM 0 HD12 LEU A 146 6.332 40.124 18.604 1.00 74.33 H new ATOM 0 HD13 LEU A 146 4.574 39.855 18.550 1.00 74.33 H new ATOM 0 HD21 LEU A 146 4.603 38.521 15.724 1.00 70.52 H new ATOM 0 HD22 LEU A 146 3.413 39.771 16.160 1.00 70.52 H new ATOM 0 HD23 LEU A 146 4.450 39.990 14.731 1.00 70.52 H new ATOM 807 N CYS A 147 3.661 44.445 15.581 1.00 63.23 N ATOM 808 CA CYS A 147 3.180 45.829 15.746 1.00 41.10 C ATOM 809 C CYS A 147 3.151 46.181 17.239 1.00 51.34 C ATOM 810 O CYS A 147 2.385 45.576 18.001 1.00 75.55 O ATOM 811 CB CYS A 147 1.772 45.966 15.107 1.00 13.50 C ATOM 812 SG CYS A 147 1.157 47.675 14.869 1.00 44.42 S ATOM 0 H CYS A 147 2.908 43.761 15.506 1.00 63.23 H new ATOM 0 HA CYS A 147 3.852 46.524 15.243 1.00 41.10 H new ATOM 0 HB2 CYS A 147 1.786 45.468 14.137 1.00 13.50 H new ATOM 0 HB3 CYS A 147 1.058 45.428 15.731 1.00 13.50 H new ATOM 0 HG CYS A 147 1.464 48.084 13.674 1.00 44.42 H new ATOM 817 N ASP A 148 3.991 47.156 17.632 1.00 73.14 N ATOM 818 CA ASP A 148 4.192 47.560 19.041 1.00 25.12 C ATOM 819 C ASP A 148 2.879 48.072 19.647 1.00 13.32 C ATOM 820 O ASP A 148 2.471 47.653 20.726 1.00 35.32 O ATOM 821 CB ASP A 148 5.265 48.683 19.151 1.00 24.11 C ATOM 822 CG ASP A 148 6.558 48.378 18.378 1.00 14.30 C ATOM 823 OD1 ASP A 148 6.647 48.761 17.185 1.00 34.34 O ATOM 824 OD2 ASP A 148 7.478 47.753 18.944 1.00 42.33 O ATOM 0 H ASP A 148 4.557 47.693 16.975 1.00 73.14 H new ATOM 0 HA ASP A 148 4.532 46.681 19.588 1.00 25.12 H new ATOM 0 HB2 ASP A 148 4.841 49.616 18.780 1.00 24.11 H new ATOM 0 HB3 ASP A 148 5.508 48.839 20.202 1.00 24.11 H new ATOM 829 N LYS A 149 2.223 48.967 18.904 1.00 54.30 N ATOM 830 CA LYS A 149 1.012 49.667 19.362 1.00 73.41 C ATOM 831 C LYS A 149 -0.193 48.717 19.433 1.00 65.33 C ATOM 832 O LYS A 149 -0.950 48.742 20.399 1.00 62.23 O ATOM 833 CB LYS A 149 0.728 50.876 18.434 1.00 20.14 C ATOM 834 CG LYS A 149 1.897 51.889 18.347 1.00 14.41 C ATOM 835 CD LYS A 149 2.266 52.499 19.726 1.00 11.34 C ATOM 836 CE LYS A 149 3.490 53.429 19.662 1.00 14.43 C ATOM 837 NZ LYS A 149 3.281 54.594 18.764 1.00 41.31 N ATOM 0 H LYS A 149 2.515 49.230 17.963 1.00 54.30 H new ATOM 0 HA LYS A 149 1.182 50.035 20.374 1.00 73.41 H new ATOM 0 HB2 LYS A 149 0.504 50.508 17.433 1.00 20.14 H new ATOM 0 HB3 LYS A 149 -0.163 51.394 18.790 1.00 20.14 H new ATOM 0 HG2 LYS A 149 2.772 51.392 17.928 1.00 14.41 H new ATOM 0 HG3 LYS A 149 1.627 52.691 17.660 1.00 14.41 H new ATOM 0 HD2 LYS A 149 1.412 53.057 20.111 1.00 11.34 H new ATOM 0 HD3 LYS A 149 2.465 51.693 20.432 1.00 11.34 H new ATOM 0 HE2 LYS A 149 3.722 53.786 20.665 1.00 14.43 H new ATOM 0 HE3 LYS A 149 4.355 52.861 19.318 1.00 14.43 H new ATOM 0 HZ1 LYS A 149 4.123 55.204 18.785 1.00 41.31 H new ATOM 0 HZ2 LYS A 149 3.120 54.259 17.793 1.00 41.31 H new ATOM 0 HZ3 LYS A 149 2.453 55.136 19.085 1.00 41.31 H new ATOM 851 N PHE A 150 -0.330 47.831 18.432 1.00 61.35 N ATOM 852 CA PHE A 150 -1.485 46.911 18.346 1.00 45.33 C ATOM 853 C PHE A 150 -1.422 45.839 19.466 1.00 22.43 C ATOM 854 O PHE A 150 -2.457 45.311 19.885 1.00 60.43 O ATOM 855 CB PHE A 150 -1.543 46.256 16.938 1.00 43.24 C ATOM 856 CG PHE A 150 -2.871 45.558 16.613 1.00 41.44 C ATOM 857 CD1 PHE A 150 -3.041 44.183 16.798 1.00 52.25 C ATOM 858 CD2 PHE A 150 -3.951 46.290 16.111 1.00 43.40 C ATOM 859 CE1 PHE A 150 -4.244 43.568 16.492 1.00 11.35 C ATOM 860 CE2 PHE A 150 -5.152 45.672 15.810 1.00 41.34 C ATOM 861 CZ PHE A 150 -5.297 44.312 15.998 1.00 2.43 C ATOM 0 H PHE A 150 0.341 47.730 17.671 1.00 61.35 H new ATOM 0 HA PHE A 150 -2.401 47.484 18.493 1.00 45.33 H new ATOM 0 HB2 PHE A 150 -1.357 47.024 16.187 1.00 43.24 H new ATOM 0 HB3 PHE A 150 -0.736 45.528 16.856 1.00 43.24 H new ATOM 0 HD1 PHE A 150 -2.224 43.592 17.185 1.00 52.25 H new ATOM 0 HD2 PHE A 150 -3.846 47.354 15.956 1.00 43.40 H new ATOM 0 HE1 PHE A 150 -4.358 42.504 16.640 1.00 11.35 H new ATOM 0 HE2 PHE A 150 -5.977 46.254 15.427 1.00 41.34 H new ATOM 0 HZ PHE A 150 -6.234 43.830 15.759 1.00 2.43 H new ATOM 871 N SER A 151 -0.197 45.540 19.949 1.00 4.13 N ATOM 872 CA SER A 151 0.029 44.557 21.029 1.00 0.54 C ATOM 873 C SER A 151 -0.094 45.208 22.432 1.00 62.54 C ATOM 874 O SER A 151 -0.709 44.626 23.333 1.00 41.23 O ATOM 875 CB SER A 151 1.415 43.886 20.854 1.00 22.14 C ATOM 876 OG SER A 151 2.466 44.835 20.905 1.00 44.51 O ATOM 0 H SER A 151 0.660 45.972 19.602 1.00 4.13 H new ATOM 0 HA SER A 151 -0.746 43.794 20.958 1.00 0.54 H new ATOM 0 HB2 SER A 151 1.560 43.140 21.636 1.00 22.14 H new ATOM 0 HB3 SER A 151 1.446 43.359 19.901 1.00 22.14 H new ATOM 0 HG SER A 151 2.095 45.738 20.823 1.00 44.51 H new ATOM 882 N MET A 152 0.484 46.421 22.604 1.00 44.45 N ATOM 883 CA MET A 152 0.552 47.096 23.928 1.00 63.23 C ATOM 884 C MET A 152 -0.729 47.897 24.235 1.00 22.13 C ATOM 885 O MET A 152 -1.367 47.690 25.275 1.00 54.34 O ATOM 886 CB MET A 152 1.780 48.046 24.009 1.00 45.54 C ATOM 887 CG MET A 152 3.148 47.363 23.880 1.00 41.32 C ATOM 888 SD MET A 152 4.525 48.522 24.086 1.00 32.51 S ATOM 889 CE MET A 152 4.194 49.759 22.822 1.00 62.43 C ATOM 0 H MET A 152 0.910 46.953 21.845 1.00 44.45 H new ATOM 0 HA MET A 152 0.653 46.307 24.673 1.00 63.23 H new ATOM 0 HB2 MET A 152 1.691 48.795 23.223 1.00 45.54 H new ATOM 0 HB3 MET A 152 1.746 48.577 24.960 1.00 45.54 H new ATOM 0 HG2 MET A 152 3.228 46.573 24.627 1.00 41.32 H new ATOM 0 HG3 MET A 152 3.222 46.886 22.902 1.00 41.32 H new ATOM 0 HE1 MET A 152 5.061 50.411 22.715 1.00 62.43 H new ATOM 0 HE2 MET A 152 3.993 49.264 21.872 1.00 62.43 H new ATOM 0 HE3 MET A 152 3.327 50.353 23.112 1.00 62.43 H new ATOM 899 N THR A 153 -1.107 48.801 23.314 1.00 30.21 N ATOM 900 CA THR A 153 -2.234 49.739 23.521 1.00 5.22 C ATOM 901 C THR A 153 -3.523 49.189 22.886 1.00 42.45 C ATOM 902 O THR A 153 -4.632 49.631 23.220 1.00 32.11 O ATOM 903 CB THR A 153 -1.903 51.151 22.921 1.00 55.10 C ATOM 904 OG1 THR A 153 -1.766 51.067 21.494 1.00 40.01 O ATOM 905 CG2 THR A 153 -0.605 51.739 23.515 1.00 62.52 C ATOM 0 H THR A 153 -0.646 48.905 22.410 1.00 30.21 H new ATOM 0 HA THR A 153 -2.388 49.844 24.595 1.00 5.22 H new ATOM 0 HB THR A 153 -2.731 51.810 23.180 1.00 55.10 H new ATOM 0 HG1 THR A 153 -1.588 50.138 21.237 1.00 40.01 H new ATOM 0 HG21 THR A 153 -0.413 52.717 23.073 1.00 62.52 H new ATOM 0 HG22 THR A 153 -0.714 51.844 24.594 1.00 62.52 H new ATOM 0 HG23 THR A 153 0.229 51.072 23.298 1.00 62.52 H new ATOM 913 N GLY A 154 -3.359 48.224 21.963 1.00 33.41 N ATOM 914 CA GLY A 154 -4.480 47.557 21.300 1.00 51.35 C ATOM 915 C GLY A 154 -4.785 48.131 19.924 1.00 33.42 C ATOM 916 O GLY A 154 -5.359 47.439 19.078 1.00 61.52 O ATOM 0 H GLY A 154 -2.444 47.889 21.660 1.00 33.41 H new ATOM 0 HA2 GLY A 154 -4.257 46.494 21.203 1.00 51.35 H new ATOM 0 HA3 GLY A 154 -5.368 47.641 21.927 1.00 51.35 H new ATOM 920 N ASN A 155 -4.392 49.397 19.690 1.00 14.32 N ATOM 921 CA ASN A 155 -4.780 50.152 18.480 1.00 22.34 C ATOM 922 C ASN A 155 -3.538 50.680 17.742 1.00 63.11 C ATOM 923 O ASN A 155 -2.640 51.261 18.358 1.00 32.54 O ATOM 924 CB ASN A 155 -5.722 51.332 18.863 1.00 50.44 C ATOM 925 CG ASN A 155 -7.027 50.906 19.564 1.00 15.31 C ATOM 926 OD1 ASN A 155 -7.551 51.628 20.418 1.00 34.11 O ATOM 927 ND2 ASN A 155 -7.583 49.753 19.198 1.00 53.14 N ATOM 0 H ASN A 155 -3.799 49.925 20.330 1.00 14.32 H new ATOM 0 HA ASN A 155 -5.313 49.477 17.811 1.00 22.34 H new ATOM 0 HB2 ASN A 155 -5.180 52.016 19.516 1.00 50.44 H new ATOM 0 HB3 ASN A 155 -5.974 51.887 17.959 1.00 50.44 H new ATOM 0 HD21 ASN A 155 -8.459 49.451 19.625 1.00 53.14 H new ATOM 0 HD22 ASN A 155 -7.133 49.172 18.491 1.00 53.14 H new ATOM 934 N CYS A 156 -3.513 50.463 16.416 1.00 42.12 N ATOM 935 CA CYS A 156 -2.466 50.966 15.507 1.00 14.12 C ATOM 936 C CYS A 156 -3.077 52.050 14.596 1.00 65.11 C ATOM 937 O CYS A 156 -4.059 51.786 13.888 1.00 15.12 O ATOM 938 CB CYS A 156 -1.909 49.786 14.673 1.00 32.30 C ATOM 939 SG CYS A 156 -0.724 50.238 13.365 1.00 11.40 S ATOM 0 H CYS A 156 -4.233 49.923 15.936 1.00 42.12 H new ATOM 0 HA CYS A 156 -1.644 51.406 16.072 1.00 14.12 H new ATOM 0 HB2 CYS A 156 -1.425 49.082 15.350 1.00 32.30 H new ATOM 0 HB3 CYS A 156 -2.747 49.261 14.214 1.00 32.30 H new ATOM 0 HG CYS A 156 0.265 49.394 13.365 1.00 11.40 H new ATOM 944 N LYS A 157 -2.488 53.264 14.625 1.00 33.14 N ATOM 945 CA LYS A 157 -3.018 54.457 13.914 1.00 35.22 C ATOM 946 C LYS A 157 -2.904 54.321 12.381 1.00 44.30 C ATOM 947 O LYS A 157 -3.730 54.870 11.642 1.00 63.31 O ATOM 948 CB LYS A 157 -2.280 55.742 14.394 1.00 31.15 C ATOM 949 CG LYS A 157 -0.752 55.745 14.145 1.00 74.34 C ATOM 950 CD LYS A 157 -0.058 57.055 14.579 1.00 42.41 C ATOM 951 CE LYS A 157 -0.552 58.286 13.797 1.00 53.13 C ATOM 952 NZ LYS A 157 0.150 59.527 14.206 1.00 44.12 N ATOM 0 H LYS A 157 -1.629 53.450 15.142 1.00 33.14 H new ATOM 0 HA LYS A 157 -4.078 54.534 14.157 1.00 35.22 H new ATOM 0 HB2 LYS A 157 -2.717 56.604 13.891 1.00 31.15 H new ATOM 0 HB3 LYS A 157 -2.460 55.870 15.461 1.00 31.15 H new ATOM 0 HG2 LYS A 157 -0.303 54.910 14.683 1.00 74.34 H new ATOM 0 HG3 LYS A 157 -0.565 55.578 13.084 1.00 74.34 H new ATOM 0 HD2 LYS A 157 -0.229 57.215 15.643 1.00 42.41 H new ATOM 0 HD3 LYS A 157 1.018 56.952 14.441 1.00 42.41 H new ATOM 0 HE2 LYS A 157 -0.403 58.121 12.730 1.00 53.13 H new ATOM 0 HE3 LYS A 157 -1.624 58.408 13.954 1.00 53.13 H new ATOM 0 HZ1 LYS A 157 -0.214 60.330 13.654 1.00 44.12 H new ATOM 0 HZ2 LYS A 157 -0.013 59.700 15.218 1.00 44.12 H new ATOM 0 HZ3 LYS A 157 1.170 59.422 14.033 1.00 44.12 H new ATOM 966 N TYR A 158 -1.870 53.591 11.919 1.00 21.13 N ATOM 967 CA TYR A 158 -1.613 53.367 10.482 1.00 72.14 C ATOM 968 C TYR A 158 -2.636 52.380 9.892 1.00 44.44 C ATOM 969 O TYR A 158 -3.114 52.567 8.765 1.00 61.31 O ATOM 970 CB TYR A 158 -0.171 52.840 10.269 1.00 64.32 C ATOM 971 CG TYR A 158 0.932 53.831 10.673 1.00 63.53 C ATOM 972 CD1 TYR A 158 1.516 53.798 11.945 1.00 41.11 C ATOM 973 CD2 TYR A 158 1.385 54.806 9.778 1.00 24.32 C ATOM 974 CE1 TYR A 158 2.507 54.692 12.300 1.00 12.43 C ATOM 975 CE2 TYR A 158 2.375 55.702 10.133 1.00 12.42 C ATOM 976 CZ TYR A 158 2.933 55.641 11.392 1.00 50.52 C ATOM 977 OH TYR A 158 3.925 56.533 11.746 1.00 74.24 O ATOM 0 H TYR A 158 -1.190 53.140 12.531 1.00 21.13 H new ATOM 0 HA TYR A 158 -1.718 54.320 9.963 1.00 72.14 H new ATOM 0 HB2 TYR A 158 -0.045 51.921 10.841 1.00 64.32 H new ATOM 0 HB3 TYR A 158 -0.043 52.581 9.218 1.00 64.32 H new ATOM 0 HD1 TYR A 158 1.186 53.060 12.661 1.00 41.11 H new ATOM 0 HD2 TYR A 158 0.952 54.859 8.790 1.00 24.32 H new ATOM 0 HE1 TYR A 158 2.948 54.649 13.285 1.00 12.43 H new ATOM 0 HE2 TYR A 158 2.710 56.447 9.427 1.00 12.42 H new ATOM 0 HH TYR A 158 4.109 57.133 10.994 1.00 74.24 H new ATOM 987 N GLY A 159 -2.954 51.332 10.678 1.00 0.14 N ATOM 988 CA GLY A 159 -3.919 50.307 10.279 1.00 41.44 C ATOM 989 C GLY A 159 -3.473 49.526 9.044 1.00 24.51 C ATOM 990 O GLY A 159 -2.591 48.666 9.135 1.00 4.34 O ATOM 0 H GLY A 159 -2.548 51.179 11.601 1.00 0.14 H new ATOM 0 HA2 GLY A 159 -4.070 49.614 11.107 1.00 41.44 H new ATOM 0 HA3 GLY A 159 -4.881 50.778 10.078 1.00 41.44 H new ATOM 994 N THR A 160 -4.050 49.866 7.882 1.00 22.21 N ATOM 995 CA THR A 160 -3.760 49.200 6.597 1.00 43.24 C ATOM 996 C THR A 160 -2.460 49.738 5.947 1.00 0.12 C ATOM 997 O THR A 160 -2.002 49.210 4.927 1.00 72.32 O ATOM 998 CB THR A 160 -4.972 49.363 5.623 1.00 62.32 C ATOM 999 OG1 THR A 160 -5.307 50.756 5.495 1.00 12.21 O ATOM 1000 CG2 THR A 160 -6.212 48.584 6.110 1.00 3.20 C ATOM 0 H THR A 160 -4.737 50.616 7.804 1.00 22.21 H new ATOM 0 HA THR A 160 -3.604 48.140 6.799 1.00 43.24 H new ATOM 0 HB THR A 160 -4.675 48.954 4.657 1.00 62.32 H new ATOM 0 HG1 THR A 160 -6.066 50.855 4.883 1.00 12.21 H new ATOM 0 HG21 THR A 160 -7.031 48.725 5.404 1.00 3.20 H new ATOM 0 HG22 THR A 160 -5.971 47.523 6.179 1.00 3.20 H new ATOM 0 HG23 THR A 160 -6.511 48.953 7.091 1.00 3.20 H new ATOM 1008 N ARG A 161 -1.881 50.802 6.540 1.00 24.53 N ATOM 1009 CA ARG A 161 -0.567 51.350 6.133 1.00 72.31 C ATOM 1010 C ARG A 161 0.568 50.794 7.022 1.00 1.41 C ATOM 1011 O ARG A 161 1.747 51.074 6.772 1.00 30.52 O ATOM 1012 CB ARG A 161 -0.597 52.904 6.194 1.00 51.25 C ATOM 1013 CG ARG A 161 -1.645 53.593 5.275 1.00 12.22 C ATOM 1014 CD ARG A 161 -1.417 53.359 3.759 1.00 42.22 C ATOM 1015 NE ARG A 161 -1.783 51.990 3.320 1.00 23.44 N ATOM 1016 CZ ARG A 161 -1.286 51.347 2.246 1.00 54.44 C ATOM 1017 NH1 ARG A 161 -0.382 51.919 1.457 1.00 41.50 N ATOM 1018 NH2 ARG A 161 -1.711 50.122 1.969 1.00 22.24 N ATOM 0 H ARG A 161 -2.310 51.307 7.315 1.00 24.53 H new ATOM 0 HA ARG A 161 -0.368 51.040 5.107 1.00 72.31 H new ATOM 0 HB2 ARG A 161 -0.789 53.206 7.224 1.00 51.25 H new ATOM 0 HB3 ARG A 161 0.392 53.279 5.931 1.00 51.25 H new ATOM 0 HG2 ARG A 161 -2.638 53.231 5.541 1.00 12.22 H new ATOM 0 HG3 ARG A 161 -1.634 54.665 5.471 1.00 12.22 H new ATOM 0 HD2 ARG A 161 -2.002 54.084 3.193 1.00 42.22 H new ATOM 0 HD3 ARG A 161 -0.369 53.542 3.523 1.00 42.22 H new ATOM 0 HE ARG A 161 -2.473 51.491 3.882 1.00 23.44 H new ATOM 0 HH11 ARG A 161 -0.052 52.862 1.660 1.00 41.50 H new ATOM 0 HH12 ARG A 161 -0.018 51.414 0.649 1.00 41.50 H new ATOM 0 HH21 ARG A 161 -2.407 49.676 2.567 1.00 22.24 H new ATOM 0 HH22 ARG A 161 -1.342 49.625 1.158 1.00 22.24 H new ATOM 1032 N CYS A 162 0.200 50.005 8.053 1.00 30.02 N ATOM 1033 CA CYS A 162 1.160 49.424 9.006 1.00 25.04 C ATOM 1034 C CYS A 162 1.834 48.186 8.390 1.00 43.02 C ATOM 1035 O CYS A 162 1.162 47.197 8.078 1.00 43.32 O ATOM 1036 CB CYS A 162 0.421 49.051 10.312 1.00 51.11 C ATOM 1037 SG CYS A 162 1.465 48.341 11.625 1.00 13.44 S ATOM 0 H CYS A 162 -0.770 49.755 8.245 1.00 30.02 H new ATOM 0 HA CYS A 162 1.936 50.155 9.234 1.00 25.04 H new ATOM 0 HB2 CYS A 162 -0.066 49.945 10.702 1.00 51.11 H new ATOM 0 HB3 CYS A 162 -0.367 48.337 10.072 1.00 51.11 H new ATOM 0 HG CYS A 162 1.600 47.063 11.429 1.00 13.44 H new ATOM 1042 N GLN A 163 3.166 48.258 8.210 1.00 70.35 N ATOM 1043 CA GLN A 163 3.974 47.146 7.655 1.00 61.51 C ATOM 1044 C GLN A 163 4.162 46.017 8.686 1.00 12.40 C ATOM 1045 O GLN A 163 4.507 44.889 8.321 1.00 32.15 O ATOM 1046 CB GLN A 163 5.365 47.641 7.135 1.00 75.11 C ATOM 1047 CG GLN A 163 6.363 48.160 8.207 1.00 70.12 C ATOM 1048 CD GLN A 163 5.990 49.520 8.798 1.00 31.30 C ATOM 1049 OE1 GLN A 163 5.267 49.600 9.785 1.00 3.34 O ATOM 1050 NE2 GLN A 163 6.472 50.594 8.199 1.00 20.12 N ATOM 0 H GLN A 163 3.715 49.085 8.443 1.00 70.35 H new ATOM 0 HA GLN A 163 3.418 46.748 6.806 1.00 61.51 H new ATOM 0 HB2 GLN A 163 5.839 46.820 6.597 1.00 75.11 H new ATOM 0 HB3 GLN A 163 5.195 48.440 6.413 1.00 75.11 H new ATOM 0 HG2 GLN A 163 6.426 47.430 9.014 1.00 70.12 H new ATOM 0 HG3 GLN A 163 7.355 48.229 7.761 1.00 70.12 H new ATOM 0 HE21 GLN A 163 7.071 50.495 7.379 1.00 20.12 H new ATOM 0 HE22 GLN A 163 6.245 51.522 8.556 1.00 20.12 H new ATOM 1059 N PHE A 164 3.930 46.344 9.972 1.00 3.31 N ATOM 1060 CA PHE A 164 4.108 45.418 11.100 1.00 53.42 C ATOM 1061 C PHE A 164 2.895 44.473 11.266 1.00 20.44 C ATOM 1062 O PHE A 164 1.752 44.846 10.960 1.00 73.23 O ATOM 1063 CB PHE A 164 4.345 46.206 12.408 1.00 40.11 C ATOM 1064 CG PHE A 164 5.555 47.144 12.399 1.00 32.12 C ATOM 1065 CD1 PHE A 164 6.810 46.690 11.988 1.00 61.44 C ATOM 1066 CD2 PHE A 164 5.441 48.474 12.817 1.00 0.20 C ATOM 1067 CE1 PHE A 164 7.905 47.535 11.986 1.00 25.41 C ATOM 1068 CE2 PHE A 164 6.537 49.317 12.814 1.00 22.52 C ATOM 1069 CZ PHE A 164 7.768 48.846 12.398 1.00 12.30 C ATOM 0 H PHE A 164 3.610 47.270 10.257 1.00 3.31 H new ATOM 0 HA PHE A 164 4.982 44.804 10.883 1.00 53.42 H new ATOM 0 HB2 PHE A 164 3.453 46.793 12.625 1.00 40.11 H new ATOM 0 HB3 PHE A 164 4.465 45.494 13.225 1.00 40.11 H new ATOM 0 HD1 PHE A 164 6.927 45.665 11.667 1.00 61.44 H new ATOM 0 HD2 PHE A 164 4.483 48.848 13.147 1.00 0.20 H new ATOM 0 HE1 PHE A 164 8.868 47.169 11.662 1.00 25.41 H new ATOM 0 HE2 PHE A 164 6.431 50.342 13.136 1.00 22.52 H new ATOM 0 HZ PHE A 164 8.624 49.504 12.395 1.00 12.30 H new ATOM 1079 N ILE A 165 3.178 43.251 11.766 1.00 24.30 N ATOM 1080 CA ILE A 165 2.174 42.206 12.034 1.00 51.12 C ATOM 1081 C ILE A 165 1.205 42.653 13.146 1.00 60.12 C ATOM 1082 O ILE A 165 1.618 42.809 14.304 1.00 12.35 O ATOM 1083 CB ILE A 165 2.853 40.850 12.489 1.00 44.32 C ATOM 1084 CG1 ILE A 165 3.927 40.379 11.465 1.00 22.24 C ATOM 1085 CG2 ILE A 165 1.796 39.738 12.736 1.00 20.31 C ATOM 1086 CD1 ILE A 165 4.656 39.090 11.838 1.00 52.25 C ATOM 0 H ILE A 165 4.128 42.961 11.998 1.00 24.30 H new ATOM 0 HA ILE A 165 1.632 42.045 11.102 1.00 51.12 H new ATOM 0 HB ILE A 165 3.358 41.045 13.435 1.00 44.32 H new ATOM 0 HG12 ILE A 165 3.447 40.239 10.497 1.00 22.24 H new ATOM 0 HG13 ILE A 165 4.664 41.173 11.344 1.00 22.24 H new ATOM 0 HG21 ILE A 165 2.298 38.822 13.047 1.00 20.31 H new ATOM 0 HG22 ILE A 165 1.107 40.058 13.518 1.00 20.31 H new ATOM 0 HG23 ILE A 165 1.240 39.553 11.817 1.00 20.31 H new ATOM 0 HD11 ILE A 165 5.383 38.846 11.063 1.00 52.25 H new ATOM 0 HD12 ILE A 165 5.171 39.226 12.789 1.00 52.25 H new ATOM 0 HD13 ILE A 165 3.935 38.277 11.929 1.00 52.25 H new ATOM 1098 N HIS A 166 -0.071 42.874 12.790 1.00 5.03 N ATOM 1099 CA HIS A 166 -1.138 43.098 13.778 1.00 1.24 C ATOM 1100 C HIS A 166 -1.483 41.773 14.471 1.00 63.23 C ATOM 1101 O HIS A 166 -2.269 40.962 13.967 1.00 54.22 O ATOM 1102 CB HIS A 166 -2.379 43.774 13.129 1.00 33.13 C ATOM 1103 CG HIS A 166 -2.150 45.215 12.740 1.00 30.15 C ATOM 1104 ND1 HIS A 166 -3.077 45.998 12.099 1.00 64.35 N ATOM 1105 CD2 HIS A 166 -1.086 46.022 12.978 1.00 61.33 C ATOM 1106 CE1 HIS A 166 -2.567 47.224 11.980 1.00 51.35 C ATOM 1107 NE2 HIS A 166 -1.351 47.295 12.503 1.00 31.45 N ATOM 0 H HIS A 166 -0.389 42.902 11.821 1.00 5.03 H new ATOM 0 HA HIS A 166 -0.782 43.792 14.539 1.00 1.24 H new ATOM 0 HB2 HIS A 166 -2.668 43.209 12.243 1.00 33.13 H new ATOM 0 HB3 HIS A 166 -3.216 43.723 13.826 1.00 33.13 H new ATOM 0 HD2 HIS A 166 -0.171 45.718 13.464 1.00 61.33 H new ATOM 0 HE1 HIS A 166 -3.079 48.054 11.516 1.00 51.35 H new ATOM 0 HE2 HIS A 166 -0.742 48.112 12.546 1.00 31.45 H new ATOM 1115 N LYS A 167 -0.810 41.560 15.609 1.00 4.13 N ATOM 1116 CA LYS A 167 -0.900 40.347 16.423 1.00 1.12 C ATOM 1117 C LYS A 167 -1.371 40.694 17.850 1.00 42.51 C ATOM 1118 O LYS A 167 -0.898 41.671 18.448 1.00 72.11 O ATOM 1119 CB LYS A 167 0.494 39.656 16.443 1.00 75.41 C ATOM 1120 CG LYS A 167 0.619 38.416 17.356 1.00 12.11 C ATOM 1121 CD LYS A 167 -0.326 37.253 16.965 1.00 12.03 C ATOM 1122 CE LYS A 167 -0.174 36.056 17.918 1.00 33.35 C ATOM 1123 NZ LYS A 167 -1.138 34.965 17.633 1.00 73.42 N ATOM 0 H LYS A 167 -0.168 42.251 15.998 1.00 4.13 H new ATOM 0 HA LYS A 167 -1.632 39.663 15.994 1.00 1.12 H new ATOM 0 HB2 LYS A 167 0.746 39.360 15.425 1.00 75.41 H new ATOM 0 HB3 LYS A 167 1.237 40.390 16.755 1.00 75.41 H new ATOM 0 HG2 LYS A 167 1.649 38.059 17.330 1.00 12.11 H new ATOM 0 HG3 LYS A 167 0.410 38.711 18.384 1.00 12.11 H new ATOM 0 HD2 LYS A 167 -1.359 37.602 16.980 1.00 12.03 H new ATOM 0 HD3 LYS A 167 -0.111 36.936 15.944 1.00 12.03 H new ATOM 0 HE2 LYS A 167 0.841 35.666 17.844 1.00 33.35 H new ATOM 0 HE3 LYS A 167 -0.311 36.396 18.945 1.00 33.35 H new ATOM 0 HZ1 LYS A 167 -0.989 34.186 18.306 1.00 73.42 H new ATOM 0 HZ2 LYS A 167 -2.109 35.325 17.730 1.00 73.42 H new ATOM 0 HZ3 LYS A 167 -0.993 34.618 16.663 1.00 73.42 H new