USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=19 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 86:sc= 0.636! USER MOD Set 1.2: A 156 CYS SG : rot 167:sc= -1.14 USER MOD Set 1.3: A 162 CYS SG : rot 176:sc= 2.23! USER MOD Set 1.4: A 166 HIS : no HE2:sc= -1.13 K(o=0.58,f=-16!) USER MOD Set 2.1: A 104 CYS SG : rot -149:sc= 0.532 USER MOD Set 2.2: A 113 CYS SG : rot 90:sc= 0.913 USER MOD Set 2.3: A 119 CYS SG : rot 143:sc= 0.702 USER MOD Set 2.4: A 123 HIS : no HD1:sc= 0.25 K(o=2.4,f=-5.4) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 138:sc= -0.632 (180deg=-2.19!) USER MOD Single : A 110 SER OG : rot -31:sc= 0.226 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= -0.0327 X(o=-0.033,f=-0.24) USER MOD Single : A 126 HIS : no HD1:sc= 0.0588 K(o=0.059,f=-0.79) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot -81:sc= 0.453 USER MOD Single : A 152 MET CE :methyl -125:sc= -0.368 (180deg=-0.89) USER MOD Single : A 153 THR OG1 : rot -74:sc= 0.84 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.002) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot -27:sc= 0.13 USER MOD Single : A 163 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.8!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 0.763 8.753 10.733 1.00 73.51 N ATOM 37 CA PHE A 99 -0.064 7.904 9.871 1.00 51.44 C ATOM 38 C PHE A 99 -0.298 8.634 8.532 1.00 30.05 C ATOM 39 O PHE A 99 -0.589 9.835 8.527 1.00 53.32 O ATOM 40 CB PHE A 99 -1.414 7.584 10.586 1.00 34.21 C ATOM 41 CG PHE A 99 -2.192 6.389 10.007 1.00 73.44 C ATOM 42 CD1 PHE A 99 -2.990 6.524 8.870 1.00 74.22 C ATOM 43 CD2 PHE A 99 -2.128 5.128 10.612 1.00 23.22 C ATOM 44 CE1 PHE A 99 -3.693 5.448 8.358 1.00 62.23 C ATOM 45 CE2 PHE A 99 -2.833 4.053 10.097 1.00 33.12 C ATOM 46 CZ PHE A 99 -3.615 4.213 8.972 1.00 51.52 C ATOM 0 HA PHE A 99 0.441 6.959 9.672 1.00 51.44 H new ATOM 0 HB2 PHE A 99 -1.212 7.390 11.640 1.00 34.21 H new ATOM 0 HB3 PHE A 99 -2.050 8.468 10.541 1.00 34.21 H new ATOM 0 HD1 PHE A 99 -3.060 7.485 8.382 1.00 74.22 H new ATOM 0 HD2 PHE A 99 -1.520 4.992 11.494 1.00 23.22 H new ATOM 0 HE1 PHE A 99 -4.304 5.574 7.476 1.00 62.23 H new ATOM 0 HE2 PHE A 99 -2.770 3.088 10.577 1.00 33.12 H new ATOM 0 HZ PHE A 99 -4.165 3.374 8.572 1.00 51.52 H new ATOM 56 N LYS A 100 -0.114 7.885 7.428 1.00 74.25 N ATOM 57 CA LYS A 100 -0.333 8.305 6.005 1.00 2.31 C ATOM 58 C LYS A 100 0.486 9.561 5.598 1.00 64.32 C ATOM 59 O LYS A 100 0.191 10.219 4.589 1.00 41.42 O ATOM 60 CB LYS A 100 -1.862 8.441 5.646 1.00 21.32 C ATOM 61 CG LYS A 100 -2.596 9.704 6.170 1.00 44.11 C ATOM 62 CD LYS A 100 -4.105 9.736 5.815 1.00 11.24 C ATOM 63 CE LYS A 100 -4.914 8.634 6.519 1.00 23.34 C ATOM 64 NZ LYS A 100 -6.344 8.647 6.118 1.00 10.03 N ATOM 0 H LYS A 100 0.208 6.919 7.493 1.00 74.25 H new ATOM 0 HA LYS A 100 0.060 7.491 5.397 1.00 2.31 H new ATOM 0 HB2 LYS A 100 -1.959 8.418 4.561 1.00 21.32 H new ATOM 0 HB3 LYS A 100 -2.380 7.563 6.031 1.00 21.32 H new ATOM 0 HG2 LYS A 100 -2.485 9.756 7.253 1.00 44.11 H new ATOM 0 HG3 LYS A 100 -2.115 10.591 5.757 1.00 44.11 H new ATOM 0 HD2 LYS A 100 -4.515 10.709 6.086 1.00 11.24 H new ATOM 0 HD3 LYS A 100 -4.221 9.630 4.736 1.00 11.24 H new ATOM 0 HE2 LYS A 100 -4.481 7.661 6.285 1.00 23.34 H new ATOM 0 HE3 LYS A 100 -4.840 8.764 7.599 1.00 23.34 H new ATOM 0 HZ1 LYS A 100 -6.851 7.888 6.616 1.00 10.03 H new ATOM 0 HZ2 LYS A 100 -6.765 9.565 6.365 1.00 10.03 H new ATOM 0 HZ3 LYS A 100 -6.418 8.497 5.092 1.00 10.03 H new ATOM 78 N THR A 101 1.565 9.836 6.355 1.00 33.21 N ATOM 79 CA THR A 101 2.456 10.989 6.122 1.00 71.00 C ATOM 80 C THR A 101 3.610 10.645 5.153 1.00 2.31 C ATOM 81 O THR A 101 4.404 11.521 4.788 1.00 34.11 O ATOM 82 CB THR A 101 3.015 11.522 7.480 1.00 73.25 C ATOM 83 OG1 THR A 101 3.619 10.446 8.216 1.00 74.54 O ATOM 84 CG2 THR A 101 1.904 12.162 8.329 1.00 25.11 C ATOM 0 H THR A 101 1.845 9.261 7.150 1.00 33.21 H new ATOM 0 HA THR A 101 1.864 11.773 5.649 1.00 71.00 H new ATOM 0 HB THR A 101 3.762 12.285 7.259 1.00 73.25 H new ATOM 0 HG1 THR A 101 3.969 10.787 9.066 1.00 74.54 H new ATOM 0 HG21 THR A 101 2.325 12.523 9.267 1.00 25.11 H new ATOM 0 HG22 THR A 101 1.465 12.997 7.784 1.00 25.11 H new ATOM 0 HG23 THR A 101 1.133 11.420 8.539 1.00 25.11 H new ATOM 92 N ALA A 102 3.680 9.373 4.728 1.00 61.15 N ATOM 93 CA ALA A 102 4.621 8.897 3.695 1.00 32.02 C ATOM 94 C ALA A 102 3.862 8.027 2.680 1.00 44.43 C ATOM 95 O ALA A 102 2.779 7.521 2.991 1.00 23.52 O ATOM 96 CB ALA A 102 5.779 8.120 4.338 1.00 70.41 C ATOM 0 H ALA A 102 3.078 8.636 5.095 1.00 61.15 H new ATOM 0 HA ALA A 102 5.051 9.752 3.173 1.00 32.02 H new ATOM 0 HB1 ALA A 102 6.462 7.777 3.561 1.00 70.41 H new ATOM 0 HB2 ALA A 102 6.314 8.770 5.030 1.00 70.41 H new ATOM 0 HB3 ALA A 102 5.384 7.260 4.879 1.00 70.41 H new ATOM 102 N LEU A 103 4.428 7.862 1.473 1.00 1.24 N ATOM 103 CA LEU A 103 3.795 7.082 0.389 1.00 30.43 C ATOM 104 C LEU A 103 4.070 5.575 0.563 1.00 63.33 C ATOM 105 O LEU A 103 5.201 5.171 0.851 1.00 41.32 O ATOM 106 CB LEU A 103 4.299 7.570 -0.998 1.00 71.02 C ATOM 107 CG LEU A 103 3.929 9.039 -1.383 1.00 53.01 C ATOM 108 CD1 LEU A 103 4.555 9.436 -2.738 1.00 24.10 C ATOM 109 CD2 LEU A 103 2.393 9.248 -1.389 1.00 45.00 C ATOM 0 H LEU A 103 5.331 8.262 1.219 1.00 1.24 H new ATOM 0 HA LEU A 103 2.718 7.239 0.442 1.00 30.43 H new ATOM 0 HB2 LEU A 103 5.384 7.471 -1.024 1.00 71.02 H new ATOM 0 HB3 LEU A 103 3.900 6.903 -1.763 1.00 71.02 H new ATOM 0 HG LEU A 103 4.348 9.697 -0.621 1.00 53.01 H new ATOM 0 HD11 LEU A 103 4.280 10.463 -2.979 1.00 24.10 H new ATOM 0 HD12 LEU A 103 5.640 9.356 -2.675 1.00 24.10 H new ATOM 0 HD13 LEU A 103 4.187 8.769 -3.518 1.00 24.10 H new ATOM 0 HD21 LEU A 103 2.167 10.279 -1.660 1.00 45.00 H new ATOM 0 HD22 LEU A 103 1.937 8.574 -2.114 1.00 45.00 H new ATOM 0 HD23 LEU A 103 1.993 9.038 -0.397 1.00 45.00 H new ATOM 121 N CYS A 104 3.015 4.769 0.373 1.00 24.12 N ATOM 122 CA CYS A 104 3.057 3.303 0.487 1.00 73.01 C ATOM 123 C CYS A 104 3.871 2.703 -0.665 1.00 2.21 C ATOM 124 O CYS A 104 3.463 2.785 -1.829 1.00 2.31 O ATOM 125 CB CYS A 104 1.610 2.762 0.485 1.00 60.34 C ATOM 126 SG CYS A 104 1.426 0.951 0.593 1.00 31.21 S ATOM 0 H CYS A 104 2.090 5.125 0.131 1.00 24.12 H new ATOM 0 HA CYS A 104 3.544 3.017 1.419 1.00 73.01 H new ATOM 0 HB2 CYS A 104 1.075 3.211 1.322 1.00 60.34 H new ATOM 0 HB3 CYS A 104 1.118 3.102 -0.426 1.00 60.34 H new ATOM 0 HG CYS A 104 0.352 0.585 -0.042 1.00 31.21 H new ATOM 131 N ASP A 105 5.031 2.117 -0.321 1.00 21.04 N ATOM 132 CA ASP A 105 5.957 1.503 -1.290 1.00 55.52 C ATOM 133 C ASP A 105 5.281 0.339 -2.028 1.00 34.43 C ATOM 134 O ASP A 105 5.455 0.189 -3.237 1.00 23.35 O ATOM 135 CB ASP A 105 7.241 1.022 -0.571 1.00 24.32 C ATOM 136 CG ASP A 105 8.291 0.422 -1.530 1.00 71.05 C ATOM 137 OD1 ASP A 105 8.522 -0.809 -1.498 1.00 72.11 O ATOM 138 OD2 ASP A 105 8.874 1.187 -2.332 1.00 2.21 O ATOM 0 H ASP A 105 5.355 2.055 0.644 1.00 21.04 H new ATOM 0 HA ASP A 105 6.233 2.255 -2.029 1.00 55.52 H new ATOM 0 HB2 ASP A 105 7.685 1.861 -0.036 1.00 24.32 H new ATOM 0 HB3 ASP A 105 6.972 0.275 0.176 1.00 24.32 H new ATOM 143 N ALA A 106 4.483 -0.446 -1.279 1.00 53.24 N ATOM 144 CA ALA A 106 3.713 -1.588 -1.814 1.00 22.42 C ATOM 145 C ALA A 106 2.704 -1.142 -2.894 1.00 11.41 C ATOM 146 O ALA A 106 2.496 -1.850 -3.883 1.00 72.25 O ATOM 147 CB ALA A 106 2.999 -2.326 -0.677 1.00 61.01 C ATOM 0 H ALA A 106 4.353 -0.305 -0.277 1.00 53.24 H new ATOM 0 HA ALA A 106 4.417 -2.270 -2.290 1.00 22.42 H new ATOM 0 HB1 ALA A 106 2.435 -3.165 -1.085 1.00 61.01 H new ATOM 0 HB2 ALA A 106 3.736 -2.696 0.036 1.00 61.01 H new ATOM 0 HB3 ALA A 106 2.317 -1.642 -0.171 1.00 61.01 H new ATOM 153 N TYR A 107 2.105 0.047 -2.696 1.00 12.02 N ATOM 154 CA TYR A 107 1.184 0.657 -3.676 1.00 32.24 C ATOM 155 C TYR A 107 1.953 1.081 -4.945 1.00 34.42 C ATOM 156 O TYR A 107 1.476 0.892 -6.063 1.00 33.11 O ATOM 157 CB TYR A 107 0.454 1.879 -3.046 1.00 33.41 C ATOM 158 CG TYR A 107 -0.492 2.637 -4.005 1.00 14.22 C ATOM 159 CD1 TYR A 107 -0.092 3.816 -4.653 1.00 74.40 C ATOM 160 CD2 TYR A 107 -1.777 2.162 -4.274 1.00 45.22 C ATOM 161 CE1 TYR A 107 -0.938 4.474 -5.526 1.00 14.35 C ATOM 162 CE2 TYR A 107 -2.624 2.821 -5.142 1.00 72.42 C ATOM 163 CZ TYR A 107 -2.201 3.973 -5.766 1.00 74.44 C ATOM 164 OH TYR A 107 -3.045 4.625 -6.642 1.00 75.25 O ATOM 0 H TYR A 107 2.244 0.610 -1.857 1.00 12.02 H new ATOM 0 HA TYR A 107 0.436 -0.084 -3.958 1.00 32.24 H new ATOM 0 HB2 TYR A 107 -0.122 1.536 -2.186 1.00 33.41 H new ATOM 0 HB3 TYR A 107 1.202 2.577 -2.670 1.00 33.41 H new ATOM 0 HD1 TYR A 107 0.894 4.216 -4.466 1.00 74.40 H new ATOM 0 HD2 TYR A 107 -2.116 1.257 -3.791 1.00 45.22 H new ATOM 0 HE1 TYR A 107 -0.611 5.378 -6.019 1.00 14.35 H new ATOM 0 HE2 TYR A 107 -3.615 2.434 -5.331 1.00 72.42 H new ATOM 0 HH TYR A 107 -3.895 4.141 -6.699 1.00 75.25 H new ATOM 174 N LYS A 108 3.153 1.645 -4.748 1.00 3.52 N ATOM 175 CA LYS A 108 3.963 2.210 -5.846 1.00 13.05 C ATOM 176 C LYS A 108 4.636 1.107 -6.696 1.00 1.54 C ATOM 177 O LYS A 108 4.884 1.316 -7.890 1.00 41.32 O ATOM 178 CB LYS A 108 5.028 3.185 -5.279 1.00 24.22 C ATOM 179 CG LYS A 108 4.452 4.384 -4.492 1.00 32.12 C ATOM 180 CD LYS A 108 5.525 5.408 -4.016 1.00 70.40 C ATOM 181 CE LYS A 108 6.560 4.840 -3.007 1.00 61.33 C ATOM 182 NZ LYS A 108 7.609 3.989 -3.646 1.00 1.31 N ATOM 0 H LYS A 108 3.591 1.724 -3.830 1.00 3.52 H new ATOM 0 HA LYS A 108 3.289 2.759 -6.504 1.00 13.05 H new ATOM 0 HB2 LYS A 108 5.700 2.628 -4.626 1.00 24.22 H new ATOM 0 HB3 LYS A 108 5.629 3.565 -6.105 1.00 24.22 H new ATOM 0 HG2 LYS A 108 3.725 4.901 -5.119 1.00 32.12 H new ATOM 0 HG3 LYS A 108 3.913 4.008 -3.622 1.00 32.12 H new ATOM 0 HD2 LYS A 108 6.058 5.787 -4.888 1.00 70.40 H new ATOM 0 HD3 LYS A 108 5.019 6.258 -3.557 1.00 70.40 H new ATOM 0 HE2 LYS A 108 7.042 5.668 -2.488 1.00 61.33 H new ATOM 0 HE3 LYS A 108 6.036 4.253 -2.253 1.00 61.33 H new ATOM 0 HZ1 LYS A 108 8.536 4.211 -3.231 1.00 1.31 H new ATOM 0 HZ2 LYS A 108 7.388 2.986 -3.484 1.00 1.31 H new ATOM 0 HZ3 LYS A 108 7.633 4.177 -4.669 1.00 1.31 H new ATOM 196 N ARG A 109 4.934 -0.058 -6.079 1.00 23.54 N ATOM 197 CA ARG A 109 5.625 -1.181 -6.762 1.00 15.41 C ATOM 198 C ARG A 109 4.622 -2.202 -7.363 1.00 34.51 C ATOM 199 O ARG A 109 4.795 -2.652 -8.500 1.00 3.12 O ATOM 200 CB ARG A 109 6.629 -1.886 -5.789 1.00 64.54 C ATOM 201 CG ARG A 109 5.985 -2.664 -4.620 1.00 25.43 C ATOM 202 CD ARG A 109 7.003 -3.208 -3.606 1.00 42.11 C ATOM 203 NE ARG A 109 6.336 -3.997 -2.548 1.00 65.42 N ATOM 204 CZ ARG A 109 6.786 -4.176 -1.293 1.00 14.24 C ATOM 205 NH1 ARG A 109 7.926 -3.624 -0.880 1.00 2.23 N ATOM 206 NH2 ARG A 109 6.077 -4.912 -0.451 1.00 35.30 N ATOM 0 H ARG A 109 4.706 -0.248 -5.103 1.00 23.54 H new ATOM 0 HA ARG A 109 6.189 -0.759 -7.594 1.00 15.41 H new ATOM 0 HB2 ARG A 109 7.244 -2.576 -6.367 1.00 64.54 H new ATOM 0 HB3 ARG A 109 7.298 -1.131 -5.376 1.00 64.54 H new ATOM 0 HG2 ARG A 109 5.284 -2.010 -4.102 1.00 25.43 H new ATOM 0 HG3 ARG A 109 5.407 -3.496 -5.023 1.00 25.43 H new ATOM 0 HD2 ARG A 109 7.735 -3.830 -4.120 1.00 42.11 H new ATOM 0 HD3 ARG A 109 7.549 -2.379 -3.155 1.00 42.11 H new ATOM 0 HE ARG A 109 5.454 -4.447 -2.792 1.00 65.42 H new ATOM 0 HH11 ARG A 109 8.477 -3.052 -1.520 1.00 2.23 H new ATOM 0 HH12 ARG A 109 8.248 -3.773 0.076 1.00 2.23 H new ATOM 0 HH21 ARG A 109 5.201 -5.335 -0.757 1.00 35.30 H new ATOM 0 HH22 ARG A 109 6.407 -5.056 0.503 1.00 35.30 H new ATOM 220 N SER A 110 3.570 -2.552 -6.591 1.00 43.53 N ATOM 221 CA SER A 110 2.682 -3.707 -6.888 1.00 10.50 C ATOM 222 C SER A 110 1.245 -3.273 -7.248 1.00 45.01 C ATOM 223 O SER A 110 0.434 -4.128 -7.627 1.00 54.23 O ATOM 224 CB SER A 110 2.672 -4.660 -5.656 1.00 31.25 C ATOM 225 OG SER A 110 1.954 -5.864 -5.899 1.00 41.24 O ATOM 0 H SER A 110 3.309 -2.045 -5.745 1.00 43.53 H new ATOM 0 HA SER A 110 3.075 -4.223 -7.764 1.00 10.50 H new ATOM 0 HB2 SER A 110 3.698 -4.903 -5.381 1.00 31.25 H new ATOM 0 HB3 SER A 110 2.228 -4.143 -4.805 1.00 31.25 H new ATOM 0 HG SER A 110 1.230 -5.690 -6.536 1.00 41.24 H new ATOM 231 N GLN A 111 0.952 -1.950 -7.137 1.00 32.44 N ATOM 232 CA GLN A 111 -0.418 -1.362 -7.223 1.00 61.12 C ATOM 233 C GLN A 111 -1.231 -1.717 -5.958 1.00 23.22 C ATOM 234 O GLN A 111 -1.647 -0.828 -5.205 1.00 21.23 O ATOM 235 CB GLN A 111 -1.197 -1.753 -8.523 1.00 2.05 C ATOM 236 CG GLN A 111 -0.509 -1.341 -9.841 1.00 12.42 C ATOM 237 CD GLN A 111 -1.339 -1.665 -11.086 1.00 72.50 C ATOM 238 OE1 GLN A 111 -2.127 -0.840 -11.553 1.00 14.34 O ATOM 239 NE2 GLN A 111 -1.176 -2.864 -11.627 1.00 63.45 N ATOM 0 H GLN A 111 1.674 -1.246 -6.982 1.00 32.44 H new ATOM 0 HA GLN A 111 -0.286 -0.281 -7.280 1.00 61.12 H new ATOM 0 HB2 GLN A 111 -1.345 -2.833 -8.529 1.00 2.05 H new ATOM 0 HB3 GLN A 111 -2.186 -1.296 -8.488 1.00 2.05 H new ATOM 0 HG2 GLN A 111 -0.306 -0.270 -9.817 1.00 12.42 H new ATOM 0 HG3 GLN A 111 0.454 -1.847 -9.913 1.00 12.42 H new ATOM 0 HE21 GLN A 111 -0.515 -3.524 -11.216 1.00 63.45 H new ATOM 0 HE22 GLN A 111 -1.711 -3.127 -12.455 1.00 63.45 H new ATOM 248 N ALA A 112 -1.453 -3.024 -5.738 1.00 40.24 N ATOM 249 CA ALA A 112 -2.105 -3.543 -4.528 1.00 22.43 C ATOM 250 C ALA A 112 -1.168 -3.444 -3.307 1.00 72.11 C ATOM 251 O ALA A 112 0.049 -3.643 -3.423 1.00 24.24 O ATOM 252 CB ALA A 112 -2.545 -4.999 -4.754 1.00 51.42 C ATOM 0 H ALA A 112 -1.183 -3.752 -6.399 1.00 40.24 H new ATOM 0 HA ALA A 112 -2.985 -2.934 -4.322 1.00 22.43 H new ATOM 0 HB1 ALA A 112 -3.028 -5.377 -3.853 1.00 51.42 H new ATOM 0 HB2 ALA A 112 -3.247 -5.042 -5.587 1.00 51.42 H new ATOM 0 HB3 ALA A 112 -1.673 -5.611 -4.983 1.00 51.42 H new ATOM 258 N CYS A 113 -1.757 -3.125 -2.146 1.00 1.41 N ATOM 259 CA CYS A 113 -1.067 -3.078 -0.847 1.00 2.44 C ATOM 260 C CYS A 113 -1.525 -4.284 -0.010 1.00 14.24 C ATOM 261 O CYS A 113 -2.733 -4.534 0.093 1.00 2.15 O ATOM 262 CB CYS A 113 -1.411 -1.747 -0.141 1.00 32.32 C ATOM 263 SG CYS A 113 -0.629 -1.478 1.480 1.00 72.32 S ATOM 0 H CYS A 113 -2.747 -2.887 -2.081 1.00 1.41 H new ATOM 0 HA CYS A 113 0.014 -3.127 -0.976 1.00 2.44 H new ATOM 0 HB2 CYS A 113 -1.128 -0.926 -0.799 1.00 32.32 H new ATOM 0 HB3 CYS A 113 -2.492 -1.695 -0.014 1.00 32.32 H new ATOM 0 HG CYS A 113 0.517 -0.887 1.316 1.00 72.32 H new ATOM 268 N SER A 114 -0.565 -5.031 0.570 1.00 24.41 N ATOM 269 CA SER A 114 -0.851 -6.271 1.325 1.00 52.22 C ATOM 270 C SER A 114 -1.642 -5.975 2.621 1.00 1.10 C ATOM 271 O SER A 114 -2.454 -6.794 3.066 1.00 53.24 O ATOM 272 CB SER A 114 0.469 -7.009 1.647 1.00 51.30 C ATOM 273 OG SER A 114 1.262 -7.182 0.478 1.00 3.34 O ATOM 0 H SER A 114 0.426 -4.795 0.530 1.00 24.41 H new ATOM 0 HA SER A 114 -1.474 -6.913 0.702 1.00 52.22 H new ATOM 0 HB2 SER A 114 1.032 -6.445 2.391 1.00 51.30 H new ATOM 0 HB3 SER A 114 0.247 -7.982 2.086 1.00 51.30 H new ATOM 0 HG SER A 114 2.091 -7.650 0.711 1.00 3.34 H new ATOM 279 N TYR A 115 -1.392 -4.791 3.213 1.00 0.03 N ATOM 280 CA TYR A 115 -2.116 -4.314 4.408 1.00 55.14 C ATOM 281 C TYR A 115 -3.473 -3.690 4.017 1.00 11.21 C ATOM 282 O TYR A 115 -4.443 -3.786 4.778 1.00 53.22 O ATOM 283 CB TYR A 115 -1.260 -3.286 5.185 1.00 14.04 C ATOM 284 CG TYR A 115 0.027 -3.862 5.788 1.00 23.44 C ATOM 285 CD1 TYR A 115 1.223 -3.882 5.067 1.00 70.52 C ATOM 286 CD2 TYR A 115 0.043 -4.392 7.082 1.00 25.41 C ATOM 287 CE1 TYR A 115 2.381 -4.403 5.610 1.00 10.22 C ATOM 288 CE2 TYR A 115 1.200 -4.913 7.626 1.00 33.34 C ATOM 289 CZ TYR A 115 2.365 -4.916 6.888 1.00 31.54 C ATOM 290 OH TYR A 115 3.519 -5.429 7.434 1.00 3.40 O ATOM 0 H TYR A 115 -0.683 -4.139 2.877 1.00 0.03 H new ATOM 0 HA TYR A 115 -2.306 -5.172 5.053 1.00 55.14 H new ATOM 0 HB2 TYR A 115 -0.998 -2.468 4.514 1.00 14.04 H new ATOM 0 HB3 TYR A 115 -1.864 -2.860 5.986 1.00 14.04 H new ATOM 0 HD1 TYR A 115 1.243 -3.482 4.064 1.00 70.52 H new ATOM 0 HD2 TYR A 115 -0.866 -4.394 7.666 1.00 25.41 H new ATOM 0 HE1 TYR A 115 3.295 -4.408 5.035 1.00 10.22 H new ATOM 0 HE2 TYR A 115 1.193 -5.317 8.627 1.00 33.34 H new ATOM 0 HH TYR A 115 3.337 -5.749 8.342 1.00 3.40 H new ATOM 300 N GLY A 116 -3.511 -3.047 2.833 1.00 42.04 N ATOM 301 CA GLY A 116 -4.729 -2.417 2.311 1.00 52.13 C ATOM 302 C GLY A 116 -5.182 -1.226 3.152 1.00 45.44 C ATOM 303 O GLY A 116 -4.514 -0.194 3.172 1.00 42.31 O ATOM 0 H GLY A 116 -2.702 -2.953 2.219 1.00 42.04 H new ATOM 0 HA2 GLY A 116 -4.553 -2.088 1.287 1.00 52.13 H new ATOM 0 HA3 GLY A 116 -5.529 -3.156 2.275 1.00 52.13 H new ATOM 307 N ASP A 117 -6.299 -1.387 3.881 1.00 64.11 N ATOM 308 CA ASP A 117 -6.872 -0.321 4.736 1.00 50.33 C ATOM 309 C ASP A 117 -6.119 -0.198 6.071 1.00 43.31 C ATOM 310 O ASP A 117 -6.205 0.837 6.744 1.00 1.32 O ATOM 311 CB ASP A 117 -8.381 -0.576 4.979 1.00 75.41 C ATOM 312 CG ASP A 117 -9.218 -0.404 3.702 1.00 2.21 C ATOM 313 OD1 ASP A 117 -9.597 0.749 3.380 1.00 42.51 O ATOM 314 OD2 ASP A 117 -9.472 -1.406 2.998 1.00 32.33 O ATOM 0 H ASP A 117 -6.833 -2.256 3.898 1.00 64.11 H new ATOM 0 HA ASP A 117 -6.757 0.626 4.208 1.00 50.33 H new ATOM 0 HB2 ASP A 117 -8.518 -1.585 5.367 1.00 75.41 H new ATOM 0 HB3 ASP A 117 -8.744 0.111 5.743 1.00 75.41 H new ATOM 319 N GLN A 118 -5.381 -1.259 6.449 1.00 12.20 N ATOM 320 CA GLN A 118 -4.524 -1.266 7.655 1.00 41.01 C ATOM 321 C GLN A 118 -3.087 -0.797 7.329 1.00 52.22 C ATOM 322 O GLN A 118 -2.172 -0.949 8.148 1.00 12.42 O ATOM 323 CB GLN A 118 -4.513 -2.686 8.285 1.00 4.44 C ATOM 324 CG GLN A 118 -5.901 -3.195 8.735 1.00 50.14 C ATOM 325 CD GLN A 118 -6.582 -2.306 9.787 1.00 34.42 C ATOM 326 OE1 GLN A 118 -5.925 -1.666 10.609 1.00 74.32 O ATOM 327 NE2 GLN A 118 -7.906 -2.265 9.771 1.00 51.32 N ATOM 0 H GLN A 118 -5.361 -2.136 5.929 1.00 12.20 H new ATOM 0 HA GLN A 118 -4.939 -0.562 8.376 1.00 41.01 H new ATOM 0 HB2 GLN A 118 -4.099 -3.388 7.561 1.00 4.44 H new ATOM 0 HB3 GLN A 118 -3.844 -2.683 9.145 1.00 4.44 H new ATOM 0 HG2 GLN A 118 -6.550 -3.269 7.862 1.00 50.14 H new ATOM 0 HG3 GLN A 118 -5.794 -4.202 9.139 1.00 50.14 H new ATOM 0 HE21 GLN A 118 -8.425 -2.805 9.079 1.00 51.32 H new ATOM 0 HE22 GLN A 118 -8.407 -1.693 10.451 1.00 51.32 H new ATOM 336 N CYS A 119 -2.901 -0.226 6.124 1.00 10.34 N ATOM 337 CA CYS A 119 -1.629 0.374 5.700 1.00 3.30 C ATOM 338 C CYS A 119 -1.474 1.755 6.354 1.00 53.42 C ATOM 339 O CYS A 119 -2.350 2.615 6.206 1.00 72.15 O ATOM 340 CB CYS A 119 -1.592 0.487 4.156 1.00 71.15 C ATOM 341 SG CYS A 119 -0.030 1.113 3.455 1.00 35.35 S ATOM 0 H CYS A 119 -3.634 -0.169 5.417 1.00 10.34 H new ATOM 0 HA CYS A 119 -0.799 -0.257 6.017 1.00 3.30 H new ATOM 0 HB2 CYS A 119 -1.792 -0.497 3.732 1.00 71.15 H new ATOM 0 HB3 CYS A 119 -2.402 1.143 3.837 1.00 71.15 H new ATOM 0 HG CYS A 119 0.223 0.496 2.339 1.00 35.35 H new ATOM 346 N ARG A 120 -0.353 1.958 7.074 1.00 33.34 N ATOM 347 CA ARG A 120 -0.067 3.232 7.788 1.00 34.23 C ATOM 348 C ARG A 120 0.644 4.249 6.872 1.00 24.15 C ATOM 349 O ARG A 120 1.182 5.257 7.346 1.00 14.34 O ATOM 350 CB ARG A 120 0.739 2.999 9.114 1.00 54.30 C ATOM 351 CG ARG A 120 2.212 2.511 8.986 1.00 11.02 C ATOM 352 CD ARG A 120 2.358 1.057 8.503 1.00 71.15 C ATOM 353 NE ARG A 120 1.547 0.106 9.294 1.00 15.51 N ATOM 354 CZ ARG A 120 1.648 -1.236 9.251 1.00 15.00 C ATOM 355 NH1 ARG A 120 2.540 -1.835 8.466 1.00 4.23 N ATOM 356 NH2 ARG A 120 0.838 -1.974 9.995 1.00 54.42 N ATOM 0 H ARG A 120 0.378 1.254 7.181 1.00 33.34 H new ATOM 0 HA ARG A 120 -1.030 3.657 8.070 1.00 34.23 H new ATOM 0 HB2 ARG A 120 0.742 3.934 9.674 1.00 54.30 H new ATOM 0 HB3 ARG A 120 0.195 2.270 9.714 1.00 54.30 H new ATOM 0 HG2 ARG A 120 2.741 3.166 8.294 1.00 11.02 H new ATOM 0 HG3 ARG A 120 2.701 2.610 9.955 1.00 11.02 H new ATOM 0 HD2 ARG A 120 2.063 0.996 7.456 1.00 71.15 H new ATOM 0 HD3 ARG A 120 3.407 0.765 8.556 1.00 71.15 H new ATOM 0 HE ARG A 120 0.851 0.501 9.927 1.00 15.51 H new ATOM 0 HH11 ARG A 120 3.163 -1.276 7.883 1.00 4.23 H new ATOM 0 HH12 ARG A 120 2.601 -2.853 8.448 1.00 4.23 H new ATOM 0 HH21 ARG A 120 0.145 -1.525 10.594 1.00 54.42 H new ATOM 0 HH22 ARG A 120 0.907 -2.991 9.969 1.00 54.42 H new ATOM 370 N PHE A 121 0.616 3.986 5.552 1.00 32.41 N ATOM 371 CA PHE A 121 1.179 4.873 4.523 1.00 71.24 C ATOM 372 C PHE A 121 0.118 5.136 3.434 1.00 12.14 C ATOM 373 O PHE A 121 -0.679 4.244 3.102 1.00 41.12 O ATOM 374 CB PHE A 121 2.457 4.247 3.910 1.00 52.11 C ATOM 375 CG PHE A 121 3.571 3.960 4.923 1.00 72.24 C ATOM 376 CD1 PHE A 121 3.974 2.654 5.209 1.00 31.54 C ATOM 377 CD2 PHE A 121 4.203 5.005 5.597 1.00 2.14 C ATOM 378 CE1 PHE A 121 4.976 2.405 6.131 1.00 2.24 C ATOM 379 CE2 PHE A 121 5.202 4.756 6.517 1.00 21.04 C ATOM 380 CZ PHE A 121 5.590 3.457 6.784 1.00 34.34 C ATOM 0 H PHE A 121 0.196 3.140 5.168 1.00 32.41 H new ATOM 0 HA PHE A 121 1.458 5.823 4.979 1.00 71.24 H new ATOM 0 HB2 PHE A 121 2.187 3.316 3.411 1.00 52.11 H new ATOM 0 HB3 PHE A 121 2.844 4.919 3.144 1.00 52.11 H new ATOM 0 HD1 PHE A 121 3.497 1.827 4.704 1.00 31.54 H new ATOM 0 HD2 PHE A 121 3.907 6.024 5.396 1.00 2.14 H new ATOM 0 HE1 PHE A 121 5.278 1.389 6.340 1.00 2.24 H new ATOM 0 HE2 PHE A 121 5.681 5.578 7.029 1.00 21.04 H new ATOM 0 HZ PHE A 121 6.373 3.264 7.503 1.00 34.34 H new ATOM 390 N ALA A 122 0.136 6.363 2.889 1.00 44.31 N ATOM 391 CA ALA A 122 -0.866 6.865 1.932 1.00 14.42 C ATOM 392 C ALA A 122 -0.780 6.165 0.563 1.00 12.43 C ATOM 393 O ALA A 122 0.311 5.909 0.052 1.00 33.12 O ATOM 394 CB ALA A 122 -0.679 8.375 1.761 1.00 53.12 C ATOM 0 H ALA A 122 0.861 7.048 3.105 1.00 44.31 H new ATOM 0 HA ALA A 122 -1.854 6.645 2.337 1.00 14.42 H new ATOM 0 HB1 ALA A 122 -1.417 8.755 1.054 1.00 53.12 H new ATOM 0 HB2 ALA A 122 -0.810 8.869 2.724 1.00 53.12 H new ATOM 0 HB3 ALA A 122 0.323 8.577 1.383 1.00 53.12 H new ATOM 400 N HIS A 123 -1.952 5.900 -0.039 1.00 33.34 N ATOM 401 CA HIS A 123 -2.070 5.253 -1.367 1.00 20.15 C ATOM 402 C HIS A 123 -2.273 6.314 -2.467 1.00 42.51 C ATOM 403 O HIS A 123 -3.033 6.113 -3.425 1.00 44.24 O ATOM 404 CB HIS A 123 -3.230 4.212 -1.333 1.00 62.55 C ATOM 405 CG HIS A 123 -2.963 3.015 -0.447 1.00 22.13 C ATOM 406 ND1 HIS A 123 -3.911 2.080 -0.110 1.00 32.11 N ATOM 407 CD2 HIS A 123 -1.810 2.593 0.134 1.00 0.14 C ATOM 408 CE1 HIS A 123 -3.323 1.145 0.641 1.00 53.43 C ATOM 409 NE2 HIS A 123 -2.033 1.407 0.823 1.00 20.21 N ATOM 0 H HIS A 123 -2.853 6.128 0.381 1.00 33.34 H new ATOM 0 HA HIS A 123 -1.147 4.723 -1.604 1.00 20.15 H new ATOM 0 HB2 HIS A 123 -4.138 4.708 -0.991 1.00 62.55 H new ATOM 0 HB3 HIS A 123 -3.420 3.863 -2.348 1.00 62.55 H new ATOM 0 HD2 HIS A 123 -0.860 3.104 0.070 1.00 0.14 H new ATOM 0 HE1 HIS A 123 -3.832 0.284 1.049 1.00 53.43 H new ATOM 0 HE2 HIS A 123 -1.355 0.858 1.352 1.00 20.21 H new ATOM 417 N GLY A 124 -1.546 7.435 -2.323 1.00 72.02 N ATOM 418 CA GLY A 124 -1.583 8.541 -3.277 1.00 24.24 C ATOM 419 C GLY A 124 -1.294 9.873 -2.607 1.00 44.13 C ATOM 420 O GLY A 124 -1.345 9.973 -1.373 1.00 21.42 O ATOM 0 H GLY A 124 -0.916 7.594 -1.537 1.00 72.02 H new ATOM 0 HA2 GLY A 124 -0.852 8.365 -4.066 1.00 24.24 H new ATOM 0 HA3 GLY A 124 -2.563 8.578 -3.753 1.00 24.24 H new ATOM 424 N VAL A 125 -1.006 10.900 -3.429 1.00 43.02 N ATOM 425 CA VAL A 125 -0.713 12.271 -2.957 1.00 5.32 C ATOM 426 C VAL A 125 -1.980 12.930 -2.349 1.00 61.12 C ATOM 427 O VAL A 125 -1.887 13.858 -1.539 1.00 32.31 O ATOM 428 CB VAL A 125 -0.125 13.154 -4.128 1.00 52.45 C ATOM 429 CG1 VAL A 125 -1.168 13.409 -5.244 1.00 1.35 C ATOM 430 CG2 VAL A 125 0.482 14.482 -3.600 1.00 33.14 C ATOM 0 H VAL A 125 -0.969 10.804 -4.444 1.00 43.02 H new ATOM 0 HA VAL A 125 0.041 12.205 -2.172 1.00 5.32 H new ATOM 0 HB VAL A 125 0.688 12.582 -4.575 1.00 52.45 H new ATOM 0 HG11 VAL A 125 -0.720 14.020 -6.028 1.00 1.35 H new ATOM 0 HG12 VAL A 125 -1.490 12.457 -5.666 1.00 1.35 H new ATOM 0 HG13 VAL A 125 -2.029 13.930 -4.825 1.00 1.35 H new ATOM 0 HG21 VAL A 125 0.875 15.060 -4.436 1.00 33.14 H new ATOM 0 HG22 VAL A 125 -0.291 15.059 -3.092 1.00 33.14 H new ATOM 0 HG23 VAL A 125 1.288 14.261 -2.901 1.00 33.14 H new ATOM 440 N HIS A 126 -3.156 12.414 -2.745 1.00 43.51 N ATOM 441 CA HIS A 126 -4.467 12.886 -2.265 1.00 71.45 C ATOM 442 C HIS A 126 -4.690 12.472 -0.796 1.00 73.03 C ATOM 443 O HIS A 126 -5.227 13.243 0.007 1.00 34.30 O ATOM 444 CB HIS A 126 -5.580 12.305 -3.168 1.00 23.42 C ATOM 445 CG HIS A 126 -5.360 12.564 -4.636 1.00 14.42 C ATOM 446 ND1 HIS A 126 -4.588 11.718 -5.397 1.00 72.54 N ATOM 447 CD2 HIS A 126 -5.790 13.588 -5.417 1.00 54.43 C ATOM 448 CE1 HIS A 126 -4.565 12.238 -6.608 1.00 71.43 C ATOM 449 NE2 HIS A 126 -5.278 13.371 -6.669 1.00 25.21 N ATOM 0 H HIS A 126 -3.224 11.648 -3.415 1.00 43.51 H new ATOM 0 HA HIS A 126 -4.496 13.975 -2.313 1.00 71.45 H new ATOM 0 HB2 HIS A 126 -5.646 11.230 -3.003 1.00 23.42 H new ATOM 0 HB3 HIS A 126 -6.538 12.733 -2.871 1.00 23.42 H new ATOM 0 HD2 HIS A 126 -6.415 14.414 -5.111 1.00 54.43 H new ATOM 0 HE1 HIS A 126 -4.038 11.805 -7.446 1.00 71.43 H new ATOM 0 HE2 HIS A 126 -5.414 13.960 -7.491 1.00 25.21 H new ATOM 457 N GLU A 127 -4.262 11.240 -0.467 1.00 13.03 N ATOM 458 CA GLU A 127 -4.337 10.680 0.899 1.00 74.10 C ATOM 459 C GLU A 127 -3.121 11.133 1.731 1.00 12.12 C ATOM 460 O GLU A 127 -3.147 11.066 2.964 1.00 4.13 O ATOM 461 CB GLU A 127 -4.392 9.119 0.861 1.00 74.24 C ATOM 462 CG GLU A 127 -5.628 8.499 0.159 1.00 64.04 C ATOM 463 CD GLU A 127 -5.718 8.785 -1.352 1.00 54.11 C ATOM 464 OE1 GLU A 127 -4.700 8.632 -2.053 1.00 24.55 O ATOM 465 OE2 GLU A 127 -6.804 9.155 -1.849 1.00 14.33 O ATOM 0 H GLU A 127 -3.851 10.598 -1.145 1.00 13.03 H new ATOM 0 HA GLU A 127 -5.251 11.051 1.363 1.00 74.10 H new ATOM 0 HB2 GLU A 127 -3.494 8.756 0.360 1.00 74.24 H new ATOM 0 HB3 GLU A 127 -4.357 8.749 1.886 1.00 74.24 H new ATOM 0 HG2 GLU A 127 -5.612 7.420 0.311 1.00 64.04 H new ATOM 0 HG3 GLU A 127 -6.530 8.876 0.641 1.00 64.04 H new ATOM 472 N LEU A 128 -2.064 11.587 1.031 1.00 22.32 N ATOM 473 CA LEU A 128 -0.789 11.983 1.646 1.00 21.23 C ATOM 474 C LEU A 128 -0.953 13.242 2.507 1.00 24.11 C ATOM 475 O LEU A 128 -1.544 14.240 2.067 1.00 24.31 O ATOM 476 CB LEU A 128 0.284 12.219 0.549 1.00 34.45 C ATOM 477 CG LEU A 128 1.710 12.625 1.042 1.00 11.32 C ATOM 478 CD1 LEU A 128 2.335 11.526 1.924 1.00 2.34 C ATOM 479 CD2 LEU A 128 2.632 12.987 -0.145 1.00 24.01 C ATOM 0 H LEU A 128 -2.074 11.689 0.016 1.00 22.32 H new ATOM 0 HA LEU A 128 -0.462 11.172 2.296 1.00 21.23 H new ATOM 0 HB2 LEU A 128 0.374 11.307 -0.041 1.00 34.45 H new ATOM 0 HB3 LEU A 128 -0.079 12.998 -0.121 1.00 34.45 H new ATOM 0 HG LEU A 128 1.602 13.517 1.659 1.00 11.32 H new ATOM 0 HD11 LEU A 128 3.326 11.841 2.250 1.00 2.34 H new ATOM 0 HD12 LEU A 128 1.703 11.356 2.796 1.00 2.34 H new ATOM 0 HD13 LEU A 128 2.418 10.603 1.351 1.00 2.34 H new ATOM 0 HD21 LEU A 128 3.617 13.265 0.231 1.00 24.01 H new ATOM 0 HD22 LEU A 128 2.726 12.127 -0.808 1.00 24.01 H new ATOM 0 HD23 LEU A 128 2.204 13.825 -0.696 1.00 24.01 H new ATOM 491 N ARG A 129 -0.456 13.157 3.747 1.00 61.24 N ATOM 492 CA ARG A 129 -0.321 14.305 4.649 1.00 31.21 C ATOM 493 C ARG A 129 1.172 14.637 4.733 1.00 5.10 C ATOM 494 O ARG A 129 1.871 14.135 5.618 1.00 32.24 O ATOM 495 CB ARG A 129 -0.922 13.979 6.050 1.00 24.14 C ATOM 496 CG ARG A 129 -2.369 13.437 6.009 1.00 11.24 C ATOM 497 CD ARG A 129 -3.349 14.381 5.292 1.00 12.14 C ATOM 498 NE ARG A 129 -4.688 13.774 5.147 1.00 35.42 N ATOM 499 CZ ARG A 129 -5.307 13.528 3.979 1.00 34.12 C ATOM 500 NH1 ARG A 129 -4.725 13.825 2.819 1.00 3.31 N ATOM 501 NH2 ARG A 129 -6.510 12.980 3.980 1.00 42.44 N ATOM 0 H ARG A 129 -0.133 12.280 4.156 1.00 61.24 H new ATOM 0 HA ARG A 129 -0.873 15.166 4.273 1.00 31.21 H new ATOM 0 HB2 ARG A 129 -0.285 13.245 6.544 1.00 24.14 H new ATOM 0 HB3 ARG A 129 -0.901 14.882 6.661 1.00 24.14 H new ATOM 0 HG2 ARG A 129 -2.374 12.469 5.507 1.00 11.24 H new ATOM 0 HG3 ARG A 129 -2.716 13.269 7.028 1.00 11.24 H new ATOM 0 HD2 ARG A 129 -3.431 15.313 5.851 1.00 12.14 H new ATOM 0 HD3 ARG A 129 -2.956 14.634 4.307 1.00 12.14 H new ATOM 0 HE ARG A 129 -5.183 13.521 6.002 1.00 35.42 H new ATOM 0 HH11 ARG A 129 -3.796 14.246 2.808 1.00 3.31 H new ATOM 0 HH12 ARG A 129 -5.208 13.632 1.942 1.00 3.31 H new ATOM 0 HH21 ARG A 129 -6.963 12.746 4.863 1.00 42.44 H new ATOM 0 HH22 ARG A 129 -6.985 12.791 3.097 1.00 42.44 H new ATOM 772 N VAL A 145 5.882 48.112 4.198 1.00 33.31 N ATOM 773 CA VAL A 145 4.821 49.131 4.155 1.00 51.51 C ATOM 774 C VAL A 145 4.946 50.055 5.387 1.00 23.45 C ATOM 775 O VAL A 145 5.440 49.628 6.439 1.00 11.35 O ATOM 776 CB VAL A 145 3.397 48.440 4.120 1.00 34.40 C ATOM 777 CG1 VAL A 145 2.236 49.466 4.046 1.00 42.33 C ATOM 778 CG2 VAL A 145 3.307 47.414 2.960 1.00 13.13 C ATOM 0 HA VAL A 145 4.931 49.728 3.250 1.00 51.51 H new ATOM 0 HB VAL A 145 3.284 47.907 5.064 1.00 34.40 H new ATOM 0 HG11 VAL A 145 1.283 48.937 4.024 1.00 42.33 H new ATOM 0 HG12 VAL A 145 2.270 50.117 4.919 1.00 42.33 H new ATOM 0 HG13 VAL A 145 2.338 50.066 3.142 1.00 42.33 H new ATOM 0 HG21 VAL A 145 2.319 46.953 2.958 1.00 13.13 H new ATOM 0 HG22 VAL A 145 3.472 47.923 2.010 1.00 13.13 H new ATOM 0 HG23 VAL A 145 4.066 46.644 3.096 1.00 13.13 H new ATOM 788 N LEU A 146 4.522 51.320 5.233 1.00 70.42 N ATOM 789 CA LEU A 146 4.500 52.307 6.326 1.00 15.14 C ATOM 790 C LEU A 146 3.262 52.105 7.215 1.00 0.12 C ATOM 791 O LEU A 146 2.208 51.649 6.748 1.00 75.23 O ATOM 792 CB LEU A 146 4.517 53.746 5.745 1.00 40.11 C ATOM 793 CG LEU A 146 5.778 54.113 4.903 1.00 43.52 C ATOM 794 CD1 LEU A 146 5.675 55.536 4.316 1.00 21.40 C ATOM 795 CD2 LEU A 146 7.069 53.937 5.735 1.00 55.34 C ATOM 0 H LEU A 146 4.184 51.689 4.344 1.00 70.42 H new ATOM 0 HA LEU A 146 5.389 52.164 6.940 1.00 15.14 H new ATOM 0 HB2 LEU A 146 3.633 53.878 5.121 1.00 40.11 H new ATOM 0 HB3 LEU A 146 4.433 54.454 6.570 1.00 40.11 H new ATOM 0 HG LEU A 146 5.826 53.422 4.062 1.00 43.52 H new ATOM 0 HD11 LEU A 146 6.571 55.756 3.736 1.00 21.40 H new ATOM 0 HD12 LEU A 146 4.800 55.601 3.670 1.00 21.40 H new ATOM 0 HD13 LEU A 146 5.581 56.258 5.127 1.00 21.40 H new ATOM 0 HD21 LEU A 146 7.933 54.199 5.125 1.00 55.34 H new ATOM 0 HD22 LEU A 146 7.030 54.588 6.609 1.00 55.34 H new ATOM 0 HD23 LEU A 146 7.155 52.900 6.059 1.00 55.34 H new ATOM 807 N CYS A 147 3.419 52.442 8.500 1.00 32.12 N ATOM 808 CA CYS A 147 2.359 52.334 9.512 1.00 2.12 C ATOM 809 C CYS A 147 1.302 53.427 9.297 1.00 4.35 C ATOM 810 O CYS A 147 1.618 54.619 9.377 1.00 41.24 O ATOM 811 CB CYS A 147 2.997 52.449 10.907 1.00 32.13 C ATOM 812 SG CYS A 147 1.846 52.406 12.319 1.00 1.42 S ATOM 0 H CYS A 147 4.297 52.802 8.873 1.00 32.12 H new ATOM 0 HA CYS A 147 1.857 51.370 9.424 1.00 2.12 H new ATOM 0 HB2 CYS A 147 3.715 51.637 11.024 1.00 32.13 H new ATOM 0 HB3 CYS A 147 3.560 53.381 10.951 1.00 32.13 H new ATOM 0 HG CYS A 147 1.616 51.171 12.654 1.00 1.42 H new ATOM 817 N ASP A 148 0.061 52.994 9.001 1.00 12.34 N ATOM 818 CA ASP A 148 -1.093 53.884 8.765 1.00 71.25 C ATOM 819 C ASP A 148 -1.363 54.764 9.991 1.00 63.14 C ATOM 820 O ASP A 148 -1.417 55.990 9.884 1.00 54.04 O ATOM 821 CB ASP A 148 -2.359 53.051 8.428 1.00 21.11 C ATOM 822 CG ASP A 148 -2.200 52.199 7.160 1.00 60.13 C ATOM 823 OD1 ASP A 148 -2.603 52.657 6.064 1.00 31.54 O ATOM 824 OD2 ASP A 148 -1.659 51.073 7.253 1.00 43.12 O ATOM 0 H ASP A 148 -0.171 52.004 8.918 1.00 12.34 H new ATOM 0 HA ASP A 148 -0.854 54.528 7.919 1.00 71.25 H new ATOM 0 HB2 ASP A 148 -2.592 52.399 9.270 1.00 21.11 H new ATOM 0 HB3 ASP A 148 -3.207 53.724 8.302 1.00 21.11 H new ATOM 829 N LYS A 149 -1.488 54.108 11.162 1.00 31.40 N ATOM 830 CA LYS A 149 -1.796 54.771 12.446 1.00 41.34 C ATOM 831 C LYS A 149 -0.746 55.847 12.799 1.00 21.31 C ATOM 832 O LYS A 149 -1.075 56.865 13.408 1.00 52.40 O ATOM 833 CB LYS A 149 -1.884 53.713 13.583 1.00 31.13 C ATOM 834 CG LYS A 149 -2.971 52.627 13.376 1.00 12.23 C ATOM 835 CD LYS A 149 -4.415 53.194 13.352 1.00 73.23 C ATOM 836 CE LYS A 149 -4.905 53.695 14.726 1.00 54.32 C ATOM 837 NZ LYS A 149 -6.279 54.269 14.654 1.00 2.24 N ATOM 0 H LYS A 149 -1.378 53.097 11.244 1.00 31.40 H new ATOM 0 HA LYS A 149 -2.759 55.271 12.341 1.00 41.34 H new ATOM 0 HB2 LYS A 149 -0.915 53.224 13.681 1.00 31.13 H new ATOM 0 HB3 LYS A 149 -2.078 54.227 14.524 1.00 31.13 H new ATOM 0 HG2 LYS A 149 -2.778 52.105 12.439 1.00 12.23 H new ATOM 0 HG3 LYS A 149 -2.892 51.889 14.174 1.00 12.23 H new ATOM 0 HD2 LYS A 149 -4.462 54.016 12.637 1.00 73.23 H new ATOM 0 HD3 LYS A 149 -5.094 52.421 12.993 1.00 73.23 H new ATOM 0 HE2 LYS A 149 -4.894 52.870 15.438 1.00 54.32 H new ATOM 0 HE3 LYS A 149 -4.216 54.451 15.103 1.00 54.32 H new ATOM 0 HZ1 LYS A 149 -6.570 54.594 15.598 1.00 2.24 H new ATOM 0 HZ2 LYS A 149 -6.285 55.073 13.994 1.00 2.24 H new ATOM 0 HZ3 LYS A 149 -6.942 53.541 14.319 1.00 2.24 H new ATOM 851 N PHE A 150 0.508 55.612 12.377 1.00 23.32 N ATOM 852 CA PHE A 150 1.632 56.517 12.653 1.00 25.24 C ATOM 853 C PHE A 150 1.613 57.717 11.684 1.00 13.20 C ATOM 854 O PHE A 150 1.748 58.861 12.107 1.00 5.11 O ATOM 855 CB PHE A 150 2.967 55.738 12.533 1.00 42.44 C ATOM 856 CG PHE A 150 4.183 56.476 13.090 1.00 43.50 C ATOM 857 CD1 PHE A 150 5.031 57.211 12.264 1.00 3.41 C ATOM 858 CD2 PHE A 150 4.469 56.435 14.453 1.00 42.43 C ATOM 859 CE1 PHE A 150 6.119 57.876 12.787 1.00 22.55 C ATOM 860 CE2 PHE A 150 5.556 57.100 14.970 1.00 42.45 C ATOM 861 CZ PHE A 150 6.382 57.820 14.138 1.00 51.02 C ATOM 0 H PHE A 150 0.769 54.788 11.835 1.00 23.32 H new ATOM 0 HA PHE A 150 1.537 56.904 13.668 1.00 25.24 H new ATOM 0 HB2 PHE A 150 2.866 54.786 13.054 1.00 42.44 H new ATOM 0 HB3 PHE A 150 3.146 55.509 11.483 1.00 42.44 H new ATOM 0 HD1 PHE A 150 4.834 57.260 11.203 1.00 3.41 H new ATOM 0 HD2 PHE A 150 3.827 55.872 15.114 1.00 42.43 H new ATOM 0 HE1 PHE A 150 6.768 58.443 12.135 1.00 22.55 H new ATOM 0 HE2 PHE A 150 5.761 57.057 16.029 1.00 42.45 H new ATOM 0 HZ PHE A 150 7.236 58.341 14.544 1.00 51.02 H new ATOM 871 N SER A 151 1.426 57.431 10.386 1.00 51.12 N ATOM 872 CA SER A 151 1.561 58.434 9.310 1.00 40.14 C ATOM 873 C SER A 151 0.371 59.421 9.275 1.00 32.21 C ATOM 874 O SER A 151 0.542 60.598 8.921 1.00 52.35 O ATOM 875 CB SER A 151 1.715 57.710 7.951 1.00 40.23 C ATOM 876 OG SER A 151 0.615 56.845 7.697 1.00 30.32 O ATOM 0 H SER A 151 1.177 56.501 10.050 1.00 51.12 H new ATOM 0 HA SER A 151 2.452 59.029 9.512 1.00 40.14 H new ATOM 0 HB2 SER A 151 1.793 58.447 7.151 1.00 40.23 H new ATOM 0 HB3 SER A 151 2.641 57.135 7.946 1.00 40.23 H new ATOM 0 HG SER A 151 0.744 56.002 8.179 1.00 30.32 H new ATOM 882 N MET A 152 -0.830 58.932 9.646 1.00 60.53 N ATOM 883 CA MET A 152 -2.077 59.726 9.585 1.00 14.14 C ATOM 884 C MET A 152 -2.181 60.726 10.752 1.00 0.02 C ATOM 885 O MET A 152 -2.606 61.868 10.548 1.00 35.14 O ATOM 886 CB MET A 152 -3.330 58.800 9.546 1.00 33.11 C ATOM 887 CG MET A 152 -3.441 57.929 8.280 1.00 61.05 C ATOM 888 SD MET A 152 -4.968 56.955 8.205 1.00 33.40 S ATOM 889 CE MET A 152 -4.841 55.919 9.662 1.00 24.44 C ATOM 0 H MET A 152 -0.964 57.983 9.994 1.00 60.53 H new ATOM 0 HA MET A 152 -2.043 60.302 8.660 1.00 14.14 H new ATOM 0 HB2 MET A 152 -3.312 58.148 10.420 1.00 33.11 H new ATOM 0 HB3 MET A 152 -4.225 59.417 9.627 1.00 33.11 H new ATOM 0 HG2 MET A 152 -3.385 58.571 7.401 1.00 61.05 H new ATOM 0 HG3 MET A 152 -2.586 57.254 8.237 1.00 61.05 H new ATOM 0 HE1 MET A 152 -4.936 54.872 9.373 1.00 24.44 H new ATOM 0 HE2 MET A 152 -3.874 56.078 10.138 1.00 24.44 H new ATOM 0 HE3 MET A 152 -5.636 56.176 10.362 1.00 24.44 H new ATOM 899 N THR A 153 -1.793 60.301 11.972 1.00 1.05 N ATOM 900 CA THR A 153 -1.968 61.122 13.197 1.00 73.42 C ATOM 901 C THR A 153 -0.631 61.720 13.683 1.00 22.15 C ATOM 902 O THR A 153 -0.569 62.894 14.076 1.00 65.35 O ATOM 903 CB THR A 153 -2.618 60.282 14.345 1.00 41.54 C ATOM 904 OG1 THR A 153 -1.729 59.222 14.740 1.00 54.03 O ATOM 905 CG2 THR A 153 -3.976 59.680 13.926 1.00 23.01 C ATOM 0 H THR A 153 -1.356 59.395 12.139 1.00 1.05 H new ATOM 0 HA THR A 153 -2.634 61.944 12.935 1.00 73.42 H new ATOM 0 HB THR A 153 -2.794 60.957 15.182 1.00 41.54 H new ATOM 0 HG1 THR A 153 -1.731 58.521 14.055 1.00 54.03 H new ATOM 0 HG21 THR A 153 -4.390 59.105 14.754 1.00 23.01 H new ATOM 0 HG22 THR A 153 -4.664 60.483 13.662 1.00 23.01 H new ATOM 0 HG23 THR A 153 -3.834 59.026 13.066 1.00 23.01 H new ATOM 913 N GLY A 154 0.432 60.897 13.659 1.00 2.15 N ATOM 914 CA GLY A 154 1.765 61.309 14.119 1.00 41.32 C ATOM 915 C GLY A 154 2.448 60.228 14.947 1.00 61.31 C ATOM 916 O GLY A 154 3.675 60.076 14.891 1.00 3.42 O ATOM 0 H GLY A 154 0.390 59.935 13.322 1.00 2.15 H new ATOM 0 HA2 GLY A 154 2.386 61.551 13.257 1.00 41.32 H new ATOM 0 HA3 GLY A 154 1.677 62.218 14.713 1.00 41.32 H new ATOM 920 N ASN A 155 1.644 59.475 15.726 1.00 22.10 N ATOM 921 CA ASN A 155 2.138 58.404 16.630 1.00 0.54 C ATOM 922 C ASN A 155 1.252 57.148 16.512 1.00 21.20 C ATOM 923 O ASN A 155 0.051 57.244 16.234 1.00 42.20 O ATOM 924 CB ASN A 155 2.180 58.884 18.110 1.00 0.11 C ATOM 925 CG ASN A 155 3.200 59.999 18.364 1.00 45.43 C ATOM 926 OD1 ASN A 155 4.367 59.736 18.660 1.00 53.10 O ATOM 927 ND2 ASN A 155 2.775 61.251 18.244 1.00 42.00 N ATOM 0 H ASN A 155 0.631 59.589 15.749 1.00 22.10 H new ATOM 0 HA ASN A 155 3.154 58.157 16.323 1.00 0.54 H new ATOM 0 HB2 ASN A 155 1.189 59.237 18.397 1.00 0.11 H new ATOM 0 HB3 ASN A 155 2.415 58.035 18.752 1.00 0.11 H new ATOM 0 HD21 ASN A 155 3.420 62.026 18.398 1.00 42.00 H new ATOM 0 HD22 ASN A 155 1.803 61.438 17.998 1.00 42.00 H new ATOM 934 N CYS A 156 1.878 55.976 16.724 1.00 32.00 N ATOM 935 CA CYS A 156 1.210 54.658 16.724 1.00 0.32 C ATOM 936 C CYS A 156 1.449 53.973 18.080 1.00 13.44 C ATOM 937 O CYS A 156 2.601 53.741 18.464 1.00 41.30 O ATOM 938 CB CYS A 156 1.777 53.807 15.562 1.00 3.25 C ATOM 939 SG CYS A 156 1.417 52.019 15.620 1.00 14.11 S ATOM 0 H CYS A 156 2.880 55.915 16.903 1.00 32.00 H new ATOM 0 HA CYS A 156 0.136 54.772 16.579 1.00 0.32 H new ATOM 0 HB2 CYS A 156 1.387 54.204 14.625 1.00 3.25 H new ATOM 0 HB3 CYS A 156 2.859 53.938 15.538 1.00 3.25 H new ATOM 0 HG CYS A 156 1.694 51.483 14.468 1.00 14.11 H new ATOM 944 N LYS A 157 0.353 53.635 18.784 1.00 33.44 N ATOM 945 CA LYS A 157 0.393 53.100 20.169 1.00 34.32 C ATOM 946 C LYS A 157 1.016 51.689 20.247 1.00 60.24 C ATOM 947 O LYS A 157 1.430 51.252 21.323 1.00 11.45 O ATOM 948 CB LYS A 157 -1.040 53.086 20.768 1.00 50.04 C ATOM 949 CG LYS A 157 -2.036 52.141 20.046 1.00 31.23 C ATOM 950 CD LYS A 157 -3.485 52.245 20.586 1.00 41.13 C ATOM 951 CE LYS A 157 -3.598 51.900 22.080 1.00 21.40 C ATOM 952 NZ LYS A 157 -3.192 50.500 22.380 1.00 75.23 N ATOM 0 H LYS A 157 -0.592 53.724 18.412 1.00 33.44 H new ATOM 0 HA LYS A 157 1.035 53.761 20.752 1.00 34.32 H new ATOM 0 HB2 LYS A 157 -0.978 52.794 21.816 1.00 50.04 H new ATOM 0 HB3 LYS A 157 -1.439 54.100 20.743 1.00 50.04 H new ATOM 0 HG2 LYS A 157 -2.036 52.371 18.980 1.00 31.23 H new ATOM 0 HG3 LYS A 157 -1.690 51.113 20.150 1.00 31.23 H new ATOM 0 HD2 LYS A 157 -3.855 53.257 20.424 1.00 41.13 H new ATOM 0 HD3 LYS A 157 -4.128 51.575 20.015 1.00 41.13 H new ATOM 0 HE2 LYS A 157 -2.975 52.585 22.655 1.00 21.40 H new ATOM 0 HE3 LYS A 157 -4.626 52.053 22.407 1.00 21.40 H new ATOM 0 HZ1 LYS A 157 -3.304 50.317 23.398 1.00 75.23 H new ATOM 0 HZ2 LYS A 157 -3.791 49.842 21.842 1.00 75.23 H new ATOM 0 HZ3 LYS A 157 -2.197 50.362 22.111 1.00 75.23 H new ATOM 966 N TYR A 158 1.077 51.001 19.096 1.00 64.12 N ATOM 967 CA TYR A 158 1.581 49.618 18.992 1.00 3.21 C ATOM 968 C TYR A 158 3.101 49.554 19.271 1.00 13.43 C ATOM 969 O TYR A 158 3.576 48.603 19.900 1.00 63.02 O ATOM 970 CB TYR A 158 1.255 49.046 17.590 1.00 33.21 C ATOM 971 CG TYR A 158 -0.252 48.935 17.280 1.00 21.13 C ATOM 972 CD1 TYR A 158 -1.024 50.071 17.001 1.00 5.01 C ATOM 973 CD2 TYR A 158 -0.901 47.698 17.274 1.00 23.43 C ATOM 974 CE1 TYR A 158 -2.374 49.974 16.732 1.00 23.13 C ATOM 975 CE2 TYR A 158 -2.251 47.601 17.001 1.00 32.33 C ATOM 976 CZ TYR A 158 -2.980 48.738 16.732 1.00 54.15 C ATOM 977 OH TYR A 158 -4.325 48.637 16.466 1.00 4.43 O ATOM 0 H TYR A 158 0.776 51.390 18.203 1.00 64.12 H new ATOM 0 HA TYR A 158 1.084 49.010 19.748 1.00 3.21 H new ATOM 0 HB2 TYR A 158 1.723 49.678 16.836 1.00 33.21 H new ATOM 0 HB3 TYR A 158 1.705 48.057 17.501 1.00 33.21 H new ATOM 0 HD1 TYR A 158 -0.552 51.043 16.996 1.00 5.01 H new ATOM 0 HD2 TYR A 158 -0.337 46.802 17.487 1.00 23.43 H new ATOM 0 HE1 TYR A 158 -2.952 50.862 16.523 1.00 23.13 H new ATOM 0 HE2 TYR A 158 -2.734 46.635 16.998 1.00 32.33 H new ATOM 0 HH TYR A 158 -4.596 47.696 16.504 1.00 4.43 H new ATOM 987 N GLY A 159 3.839 50.582 18.806 1.00 1.04 N ATOM 988 CA GLY A 159 5.285 50.701 19.053 1.00 34.33 C ATOM 989 C GLY A 159 6.108 49.596 18.388 1.00 31.42 C ATOM 990 O GLY A 159 6.117 49.490 17.157 1.00 14.10 O ATOM 0 H GLY A 159 3.451 51.346 18.253 1.00 1.04 H new ATOM 0 HA2 GLY A 159 5.630 51.669 18.690 1.00 34.33 H new ATOM 0 HA3 GLY A 159 5.465 50.681 20.128 1.00 34.33 H new ATOM 994 N THR A 160 6.779 48.761 19.208 1.00 63.04 N ATOM 995 CA THR A 160 7.591 47.620 18.724 1.00 22.23 C ATOM 996 C THR A 160 6.693 46.424 18.322 1.00 60.15 C ATOM 997 O THR A 160 7.148 45.488 17.652 1.00 14.13 O ATOM 998 CB THR A 160 8.662 47.177 19.792 1.00 32.53 C ATOM 999 OG1 THR A 160 9.524 46.154 19.252 1.00 54.42 O ATOM 1000 CG2 THR A 160 8.023 46.670 21.102 1.00 2.45 C ATOM 0 H THR A 160 6.775 48.857 20.223 1.00 63.04 H new ATOM 0 HA THR A 160 8.125 47.958 17.836 1.00 22.23 H new ATOM 0 HB THR A 160 9.245 48.066 20.031 1.00 32.53 H new ATOM 0 HG1 THR A 160 9.043 45.653 18.561 1.00 54.42 H new ATOM 0 HG21 THR A 160 8.807 46.379 21.800 1.00 2.45 H new ATOM 0 HG22 THR A 160 7.420 47.463 21.544 1.00 2.45 H new ATOM 0 HG23 THR A 160 7.389 45.809 20.888 1.00 2.45 H new ATOM 1008 N ARG A 161 5.413 46.474 18.738 1.00 71.35 N ATOM 1009 CA ARG A 161 4.396 45.466 18.379 1.00 34.30 C ATOM 1010 C ARG A 161 3.702 45.821 17.043 1.00 24.34 C ATOM 1011 O ARG A 161 2.820 45.081 16.587 1.00 63.14 O ATOM 1012 CB ARG A 161 3.348 45.347 19.520 1.00 22.41 C ATOM 1013 CG ARG A 161 3.927 44.867 20.870 1.00 74.31 C ATOM 1014 CD ARG A 161 2.864 44.809 21.983 1.00 4.41 C ATOM 1015 NE ARG A 161 3.373 44.177 23.215 1.00 42.30 N ATOM 1016 CZ ARG A 161 2.610 43.738 24.233 1.00 51.10 C ATOM 1017 NH1 ARG A 161 1.283 43.854 24.199 1.00 32.43 N ATOM 1018 NH2 ARG A 161 3.183 43.162 25.276 1.00 21.40 N ATOM 0 H ARG A 161 5.053 47.218 19.336 1.00 71.35 H new ATOM 0 HA ARG A 161 4.895 44.506 18.248 1.00 34.30 H new ATOM 0 HB2 ARG A 161 2.876 46.318 19.666 1.00 22.41 H new ATOM 0 HB3 ARG A 161 2.565 44.656 19.208 1.00 22.41 H new ATOM 0 HG2 ARG A 161 4.367 43.878 20.741 1.00 74.31 H new ATOM 0 HG3 ARG A 161 4.731 45.537 21.175 1.00 74.31 H new ATOM 0 HD2 ARG A 161 2.524 45.819 22.210 1.00 4.41 H new ATOM 0 HD3 ARG A 161 1.997 44.254 21.625 1.00 4.41 H new ATOM 0 HE ARG A 161 4.383 44.064 23.302 1.00 42.30 H new ATOM 0 HH11 ARG A 161 0.829 44.281 23.392 1.00 32.43 H new ATOM 0 HH12 ARG A 161 0.721 43.515 24.980 1.00 32.43 H new ATOM 0 HH21 ARG A 161 4.197 43.053 25.305 1.00 21.40 H new ATOM 0 HH22 ARG A 161 2.611 42.827 26.051 1.00 21.40 H new ATOM 1032 N CYS A 162 4.108 46.950 16.419 1.00 52.41 N ATOM 1033 CA CYS A 162 3.499 47.433 15.169 1.00 50.41 C ATOM 1034 C CYS A 162 3.973 46.598 13.969 1.00 10.33 C ATOM 1035 O CYS A 162 5.166 46.326 13.821 1.00 55.04 O ATOM 1036 CB CYS A 162 3.825 48.919 14.947 1.00 72.43 C ATOM 1037 SG CYS A 162 2.862 49.690 13.612 1.00 63.24 S ATOM 0 H CYS A 162 4.860 47.544 16.768 1.00 52.41 H new ATOM 0 HA CYS A 162 2.418 47.323 15.257 1.00 50.41 H new ATOM 0 HB2 CYS A 162 3.644 49.463 15.874 1.00 72.43 H new ATOM 0 HB3 CYS A 162 4.887 49.019 14.721 1.00 72.43 H new ATOM 0 HG CYS A 162 3.136 50.960 13.557 1.00 63.24 H new ATOM 1042 N GLN A 163 3.015 46.216 13.122 1.00 23.02 N ATOM 1043 CA GLN A 163 3.244 45.338 11.960 1.00 14.21 C ATOM 1044 C GLN A 163 3.972 46.068 10.802 1.00 53.44 C ATOM 1045 O GLN A 163 4.670 45.428 10.007 1.00 53.41 O ATOM 1046 CB GLN A 163 1.891 44.730 11.472 1.00 33.23 C ATOM 1047 CG GLN A 163 0.890 45.713 10.803 1.00 62.42 C ATOM 1048 CD GLN A 163 0.273 46.760 11.739 1.00 12.33 C ATOM 1049 OE1 GLN A 163 0.075 46.519 12.932 1.00 55.23 O ATOM 1050 NE2 GLN A 163 -0.031 47.934 11.209 1.00 60.13 N ATOM 0 H GLN A 163 2.043 46.509 13.221 1.00 23.02 H new ATOM 0 HA GLN A 163 3.902 44.531 12.283 1.00 14.21 H new ATOM 0 HB2 GLN A 163 2.112 43.932 10.763 1.00 33.23 H new ATOM 0 HB3 GLN A 163 1.396 44.269 12.327 1.00 33.23 H new ATOM 0 HG2 GLN A 163 1.402 46.232 9.993 1.00 62.42 H new ATOM 0 HG3 GLN A 163 0.084 45.134 10.352 1.00 62.42 H new ATOM 0 HE21 GLN A 163 0.143 48.107 10.219 1.00 60.13 H new ATOM 0 HE22 GLN A 163 -0.439 48.666 11.791 1.00 60.13 H new ATOM 1059 N PHE A 164 3.826 47.407 10.724 1.00 42.00 N ATOM 1060 CA PHE A 164 4.389 48.231 9.621 1.00 30.13 C ATOM 1061 C PHE A 164 5.345 49.315 10.168 1.00 11.14 C ATOM 1062 O PHE A 164 5.180 49.778 11.306 1.00 4.35 O ATOM 1063 CB PHE A 164 3.256 48.861 8.771 1.00 43.44 C ATOM 1064 CG PHE A 164 2.389 47.865 7.989 1.00 22.11 C ATOM 1065 CD1 PHE A 164 2.944 46.706 7.428 1.00 52.23 C ATOM 1066 CD2 PHE A 164 1.025 48.092 7.801 1.00 64.50 C ATOM 1067 CE1 PHE A 164 2.162 45.816 6.717 1.00 35.33 C ATOM 1068 CE2 PHE A 164 0.246 47.197 7.089 1.00 32.31 C ATOM 1069 CZ PHE A 164 0.815 46.060 6.549 1.00 14.04 C ATOM 0 H PHE A 164 3.316 47.952 11.420 1.00 42.00 H new ATOM 0 HA PHE A 164 4.970 47.575 8.973 1.00 30.13 H new ATOM 0 HB2 PHE A 164 2.609 49.440 9.430 1.00 43.44 H new ATOM 0 HB3 PHE A 164 3.701 49.562 8.065 1.00 43.44 H new ATOM 0 HD1 PHE A 164 3.998 46.506 7.553 1.00 52.23 H new ATOM 0 HD2 PHE A 164 0.571 48.979 8.217 1.00 64.50 H new ATOM 0 HE1 PHE A 164 2.606 44.928 6.292 1.00 35.33 H new ATOM 0 HE2 PHE A 164 -0.809 47.388 6.955 1.00 32.31 H new ATOM 0 HZ PHE A 164 0.205 45.362 5.995 1.00 14.04 H new ATOM 1079 N ILE A 165 6.335 49.700 9.330 1.00 11.32 N ATOM 1080 CA ILE A 165 7.505 50.531 9.726 1.00 34.11 C ATOM 1081 C ILE A 165 7.092 51.936 10.245 1.00 23.23 C ATOM 1082 O ILE A 165 6.233 52.599 9.650 1.00 64.44 O ATOM 1083 CB ILE A 165 8.511 50.725 8.518 1.00 15.43 C ATOM 1084 CG1 ILE A 165 8.834 49.365 7.813 1.00 11.32 C ATOM 1085 CG2 ILE A 165 9.820 51.424 8.985 1.00 22.03 C ATOM 1086 CD1 ILE A 165 9.788 49.468 6.627 1.00 23.43 C ATOM 0 H ILE A 165 6.347 49.440 8.344 1.00 11.32 H new ATOM 0 HA ILE A 165 7.990 49.985 10.535 1.00 34.11 H new ATOM 0 HB ILE A 165 8.020 51.370 7.789 1.00 15.43 H new ATOM 0 HG12 ILE A 165 9.263 48.684 8.548 1.00 11.32 H new ATOM 0 HG13 ILE A 165 7.900 48.918 7.472 1.00 11.32 H new ATOM 0 HG21 ILE A 165 10.492 51.544 8.135 1.00 22.03 H new ATOM 0 HG22 ILE A 165 9.581 52.403 9.400 1.00 22.03 H new ATOM 0 HG23 ILE A 165 10.305 50.815 9.748 1.00 22.03 H new ATOM 0 HD11 ILE A 165 9.951 48.477 6.204 1.00 23.43 H new ATOM 0 HD12 ILE A 165 9.355 50.119 5.868 1.00 23.43 H new ATOM 0 HD13 ILE A 165 10.740 49.882 6.960 1.00 23.43 H new ATOM 1098 N HIS A 166 7.729 52.372 11.354 1.00 53.30 N ATOM 1099 CA HIS A 166 7.574 53.736 11.902 1.00 40.50 C ATOM 1100 C HIS A 166 8.708 54.641 11.393 1.00 52.03 C ATOM 1101 O HIS A 166 9.812 54.643 11.951 1.00 4.12 O ATOM 1102 CB HIS A 166 7.571 53.717 13.463 1.00 35.11 C ATOM 1103 CG HIS A 166 6.360 53.085 14.090 1.00 2.31 C ATOM 1104 ND1 HIS A 166 6.212 52.900 15.444 1.00 42.23 N ATOM 1105 CD2 HIS A 166 5.215 52.636 13.528 1.00 41.53 C ATOM 1106 CE1 HIS A 166 5.014 52.363 15.658 1.00 30.55 C ATOM 1107 NE2 HIS A 166 4.357 52.181 14.517 1.00 21.41 N ATOM 0 H HIS A 166 8.366 51.787 11.894 1.00 53.30 H new ATOM 0 HA HIS A 166 6.616 54.131 11.562 1.00 40.50 H new ATOM 0 HB2 HIS A 166 8.458 53.185 13.806 1.00 35.11 H new ATOM 0 HB3 HIS A 166 7.655 54.742 13.824 1.00 35.11 H new ATOM 0 HD1 HIS A 166 6.900 53.134 16.159 1.00 42.23 H new ATOM 0 HD2 HIS A 166 5.001 52.632 12.469 1.00 41.53 H new ATOM 0 HE1 HIS A 166 4.625 52.108 16.633 1.00 30.55 H new ATOM 1115 N LYS A 167 8.442 55.373 10.303 1.00 22.52 N ATOM 1116 CA LYS A 167 9.322 56.456 9.819 1.00 54.11 C ATOM 1117 C LYS A 167 8.648 57.789 10.156 1.00 32.13 C ATOM 1118 O LYS A 167 7.444 57.943 9.914 1.00 43.11 O ATOM 1119 CB LYS A 167 9.586 56.319 8.297 1.00 42.14 C ATOM 1120 CG LYS A 167 10.307 55.009 7.907 1.00 21.31 C ATOM 1121 CD LYS A 167 10.607 54.909 6.394 1.00 70.11 C ATOM 1122 CE LYS A 167 11.241 53.564 5.999 1.00 63.54 C ATOM 1123 NZ LYS A 167 11.467 53.470 4.534 1.00 53.24 N ATOM 0 H LYS A 167 7.611 55.234 9.728 1.00 22.52 H new ATOM 0 HA LYS A 167 10.295 56.401 10.307 1.00 54.11 H new ATOM 0 HB2 LYS A 167 8.635 56.372 7.766 1.00 42.14 H new ATOM 0 HB3 LYS A 167 10.185 57.166 7.963 1.00 42.14 H new ATOM 0 HG2 LYS A 167 11.242 54.937 8.462 1.00 21.31 H new ATOM 0 HG3 LYS A 167 9.692 54.160 8.206 1.00 21.31 H new ATOM 0 HD2 LYS A 167 9.682 55.047 5.835 1.00 70.11 H new ATOM 0 HD3 LYS A 167 11.277 55.719 6.107 1.00 70.11 H new ATOM 0 HE2 LYS A 167 12.190 53.442 6.522 1.00 63.54 H new ATOM 0 HE3 LYS A 167 10.593 52.748 6.320 1.00 63.54 H new ATOM 0 HZ1 LYS A 167 11.895 52.550 4.307 1.00 53.24 H new ATOM 0 HZ2 LYS A 167 10.559 53.561 4.036 1.00 53.24 H new ATOM 0 HZ3 LYS A 167 12.106 54.233 4.232 1.00 53.24 H new