USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=17 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 94:sc= 1.51 USER MOD Set 1.2: A 156 CYS SG : rot 116:sc= -0.924 USER MOD Set 1.3: A 162 CYS SG : rot 7:sc= 1.48 USER MOD Set 1.4: A 166 HIS : no HD1:sc= -0.0248 K(o=2,f=-9!) USER MOD Set 2.1: A 104 CYS SG : rot 91:sc= 1.79 USER MOD Set 2.2: A 113 CYS SG : rot 134:sc= 0.667 USER MOD Set 2.3: A 119 CYS SG : rot -102:sc= 2.31 USER MOD Set 2.4: A 123 HIS : no HD1:sc= 0.399 K(o=5.2,f=-3.4) USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 0.0458 (180deg=0.0456) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0012 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.4) 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= -0.208 K(o=-0.21,f=-3.6!) USER MOD Single : A 126 HIS : no HD1:sc= -0.502 K(o=-0.5,f=-2.9) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 MET CE :methyl -147:sc= -0.116 (180deg=-0.575) USER MOD Single : A 153 THR OG1 : rot -53:sc= 0.735 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,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=4.39e-05 USER MOD Single : A 163 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 0.721 8.566 10.862 1.00 44.35 N ATOM 37 CA PHE A 99 0.041 7.446 10.194 1.00 65.23 C ATOM 38 C PHE A 99 -0.352 7.880 8.771 1.00 52.34 C ATOM 39 O PHE A 99 -1.047 8.890 8.605 1.00 43.24 O ATOM 40 CB PHE A 99 -1.215 6.999 11.002 1.00 3.51 C ATOM 41 CG PHE A 99 -1.751 5.608 10.626 1.00 72.20 C ATOM 42 CD1 PHE A 99 -1.230 4.455 11.219 1.00 62.51 C ATOM 43 CD2 PHE A 99 -2.772 5.451 9.687 1.00 42.22 C ATOM 44 CE1 PHE A 99 -1.710 3.201 10.887 1.00 0.22 C ATOM 45 CE2 PHE A 99 -3.250 4.195 9.354 1.00 14.30 C ATOM 46 CZ PHE A 99 -2.721 3.072 9.953 1.00 2.10 C ATOM 0 HA PHE A 99 0.716 6.592 10.140 1.00 65.23 H new ATOM 0 HB2 PHE A 99 -0.970 7.005 12.064 1.00 3.51 H new ATOM 0 HB3 PHE A 99 -2.007 7.733 10.853 1.00 3.51 H new ATOM 0 HD1 PHE A 99 -0.439 4.545 11.949 1.00 62.51 H new ATOM 0 HD2 PHE A 99 -3.196 6.324 9.213 1.00 42.22 H new ATOM 0 HE1 PHE A 99 -1.295 2.322 11.358 1.00 0.22 H new ATOM 0 HE2 PHE A 99 -4.039 4.095 8.623 1.00 14.30 H new ATOM 0 HZ PHE A 99 -3.096 2.093 9.693 1.00 2.10 H new ATOM 56 N LYS A 100 0.122 7.105 7.773 1.00 3.25 N ATOM 57 CA LYS A 100 -0.131 7.294 6.314 1.00 63.24 C ATOM 58 C LYS A 100 0.088 8.754 5.843 1.00 55.42 C ATOM 59 O LYS A 100 -0.723 9.342 5.117 1.00 5.11 O ATOM 60 CB LYS A 100 -1.506 6.671 5.861 1.00 30.12 C ATOM 61 CG LYS A 100 -2.785 7.267 6.487 1.00 32.00 C ATOM 62 CD LYS A 100 -4.050 6.430 6.192 1.00 72.50 C ATOM 63 CE LYS A 100 -5.276 6.937 6.969 1.00 25.35 C ATOM 64 NZ LYS A 100 -5.699 8.293 6.523 1.00 64.05 N ATOM 0 H LYS A 100 0.715 6.297 7.960 1.00 3.25 H new ATOM 0 HA LYS A 100 0.634 6.722 5.788 1.00 63.24 H new ATOM 0 HB2 LYS A 100 -1.582 6.768 4.778 1.00 30.12 H new ATOM 0 HB3 LYS A 100 -1.485 5.604 6.084 1.00 30.12 H new ATOM 0 HG2 LYS A 100 -2.652 7.346 7.566 1.00 32.00 H new ATOM 0 HG3 LYS A 100 -2.930 8.279 6.109 1.00 32.00 H new ATOM 0 HD2 LYS A 100 -4.262 6.459 5.123 1.00 72.50 H new ATOM 0 HD3 LYS A 100 -3.863 5.388 6.452 1.00 72.50 H new ATOM 0 HE2 LYS A 100 -6.102 6.238 6.838 1.00 25.35 H new ATOM 0 HE3 LYS A 100 -5.045 6.962 8.034 1.00 25.35 H new ATOM 0 HZ1 LYS A 100 -6.538 8.589 7.061 1.00 64.05 H new ATOM 0 HZ2 LYS A 100 -4.926 8.969 6.687 1.00 64.05 H new ATOM 0 HZ3 LYS A 100 -5.928 8.269 5.509 1.00 64.05 H new ATOM 78 N THR A 101 1.228 9.312 6.275 1.00 14.33 N ATOM 79 CA THR A 101 1.694 10.657 5.890 1.00 3.21 C ATOM 80 C THR A 101 2.715 10.581 4.739 1.00 73.25 C ATOM 81 O THR A 101 3.052 11.604 4.137 1.00 53.40 O ATOM 82 CB THR A 101 2.333 11.377 7.123 1.00 4.50 C ATOM 83 OG1 THR A 101 3.334 10.537 7.719 1.00 31.14 O ATOM 84 CG2 THR A 101 1.278 11.731 8.182 1.00 2.53 C ATOM 0 H THR A 101 1.865 8.835 6.913 1.00 14.33 H new ATOM 0 HA THR A 101 0.832 11.229 5.545 1.00 3.21 H new ATOM 0 HB THR A 101 2.785 12.302 6.764 1.00 4.50 H new ATOM 0 HG1 THR A 101 3.730 10.996 8.489 1.00 31.14 H new ATOM 0 HG21 THR A 101 1.760 12.230 9.023 1.00 2.53 H new ATOM 0 HG22 THR A 101 0.532 12.395 7.745 1.00 2.53 H new ATOM 0 HG23 THR A 101 0.792 10.820 8.530 1.00 2.53 H new ATOM 92 N ALA A 102 3.177 9.356 4.434 1.00 34.23 N ATOM 93 CA ALA A 102 4.175 9.070 3.387 1.00 72.51 C ATOM 94 C ALA A 102 3.658 7.920 2.509 1.00 75.40 C ATOM 95 O ALA A 102 3.011 7.013 3.024 1.00 13.25 O ATOM 96 CB ALA A 102 5.529 8.720 4.028 1.00 11.10 C ATOM 0 H ALA A 102 2.860 8.517 4.920 1.00 34.23 H new ATOM 0 HA ALA A 102 4.325 9.950 2.762 1.00 72.51 H new ATOM 0 HB1 ALA A 102 6.259 8.511 3.246 1.00 11.10 H new ATOM 0 HB2 ALA A 102 5.874 9.560 4.631 1.00 11.10 H new ATOM 0 HB3 ALA A 102 5.415 7.841 4.662 1.00 11.10 H new ATOM 102 N LEU A 103 3.963 7.966 1.194 1.00 12.44 N ATOM 103 CA LEU A 103 3.423 7.020 0.185 1.00 13.01 C ATOM 104 C LEU A 103 3.741 5.541 0.491 1.00 50.13 C ATOM 105 O LEU A 103 4.771 5.213 1.091 1.00 73.43 O ATOM 106 CB LEU A 103 3.937 7.391 -1.238 1.00 54.23 C ATOM 107 CG LEU A 103 3.272 8.636 -1.900 1.00 2.31 C ATOM 108 CD1 LEU A 103 3.974 9.010 -3.228 1.00 44.41 C ATOM 109 CD2 LEU A 103 1.750 8.401 -2.101 1.00 43.32 C ATOM 0 H LEU A 103 4.594 8.663 0.798 1.00 12.44 H new ATOM 0 HA LEU A 103 2.338 7.120 0.228 1.00 13.01 H new ATOM 0 HB2 LEU A 103 5.012 7.565 -1.181 1.00 54.23 H new ATOM 0 HB3 LEU A 103 3.787 6.532 -1.892 1.00 54.23 H new ATOM 0 HG LEU A 103 3.392 9.484 -1.226 1.00 2.31 H new ATOM 0 HD11 LEU A 103 3.486 9.882 -3.664 1.00 44.41 H new ATOM 0 HD12 LEU A 103 5.022 9.239 -3.034 1.00 44.41 H new ATOM 0 HD13 LEU A 103 3.909 8.172 -3.922 1.00 44.41 H new ATOM 0 HD21 LEU A 103 1.304 9.281 -2.564 1.00 43.32 H new ATOM 0 HD22 LEU A 103 1.598 7.535 -2.745 1.00 43.32 H new ATOM 0 HD23 LEU A 103 1.279 8.222 -1.135 1.00 43.32 H new ATOM 121 N CYS A 104 2.824 4.670 0.047 1.00 71.03 N ATOM 122 CA CYS A 104 2.930 3.219 0.197 1.00 41.34 C ATOM 123 C CYS A 104 3.765 2.660 -0.953 1.00 2.13 C ATOM 124 O CYS A 104 3.360 2.737 -2.117 1.00 13.32 O ATOM 125 CB CYS A 104 1.513 2.603 0.235 1.00 31.14 C ATOM 126 SG CYS A 104 1.411 0.828 0.655 1.00 23.11 S ATOM 0 H CYS A 104 1.974 4.963 -0.435 1.00 71.03 H new ATOM 0 HA CYS A 104 3.428 2.963 1.132 1.00 41.34 H new ATOM 0 HB2 CYS A 104 0.917 3.160 0.958 1.00 31.14 H new ATOM 0 HB3 CYS A 104 1.050 2.751 -0.741 1.00 31.14 H new ATOM 0 HG CYS A 104 1.271 0.694 1.940 1.00 23.11 H new ATOM 131 N ASP A 105 4.944 2.130 -0.610 1.00 60.32 N ATOM 132 CA ASP A 105 5.905 1.570 -1.575 1.00 42.44 C ATOM 133 C ASP A 105 5.279 0.396 -2.354 1.00 62.13 C ATOM 134 O ASP A 105 5.555 0.216 -3.536 1.00 63.02 O ATOM 135 CB ASP A 105 7.186 1.122 -0.829 1.00 33.31 C ATOM 136 CG ASP A 105 7.857 2.280 -0.060 1.00 53.13 C ATOM 137 OD1 ASP A 105 7.453 2.561 1.094 1.00 64.22 O ATOM 138 OD2 ASP A 105 8.770 2.937 -0.614 1.00 14.13 O ATOM 0 H ASP A 105 5.265 2.076 0.357 1.00 60.32 H new ATOM 0 HA ASP A 105 6.171 2.339 -2.300 1.00 42.44 H new ATOM 0 HB2 ASP A 105 6.936 0.323 -0.131 1.00 33.31 H new ATOM 0 HB3 ASP A 105 7.894 0.708 -1.546 1.00 33.31 H new ATOM 143 N ALA A 106 4.394 -0.363 -1.674 1.00 10.22 N ATOM 144 CA ALA A 106 3.638 -1.478 -2.285 1.00 44.23 C ATOM 145 C ALA A 106 2.604 -0.967 -3.315 1.00 51.12 C ATOM 146 O ALA A 106 2.361 -1.618 -4.331 1.00 14.34 O ATOM 147 CB ALA A 106 2.953 -2.307 -1.185 1.00 54.13 C ATOM 0 H ALA A 106 4.183 -0.221 -0.686 1.00 10.22 H new ATOM 0 HA ALA A 106 4.341 -2.114 -2.824 1.00 44.23 H new ATOM 0 HB1 ALA A 106 2.397 -3.127 -1.640 1.00 54.13 H new ATOM 0 HB2 ALA A 106 3.708 -2.711 -0.510 1.00 54.13 H new ATOM 0 HB3 ALA A 106 2.268 -1.672 -0.624 1.00 54.13 H new ATOM 153 N TYR A 107 2.019 0.212 -3.040 1.00 53.25 N ATOM 154 CA TYR A 107 1.052 0.885 -3.942 1.00 23.34 C ATOM 155 C TYR A 107 1.766 1.471 -5.183 1.00 64.44 C ATOM 156 O TYR A 107 1.184 1.554 -6.272 1.00 54.11 O ATOM 157 CB TYR A 107 0.302 1.998 -3.154 1.00 45.44 C ATOM 158 CG TYR A 107 -0.604 2.923 -3.993 1.00 53.31 C ATOM 159 CD1 TYR A 107 -1.891 2.534 -4.376 1.00 2.01 C ATOM 160 CD2 TYR A 107 -0.163 4.189 -4.399 1.00 70.44 C ATOM 161 CE1 TYR A 107 -2.698 3.368 -5.127 1.00 1.02 C ATOM 162 CE2 TYR A 107 -0.966 5.023 -5.151 1.00 34.51 C ATOM 163 CZ TYR A 107 -2.232 4.611 -5.514 1.00 32.14 C ATOM 164 OH TYR A 107 -3.040 5.446 -6.258 1.00 22.34 O ATOM 0 H TYR A 107 2.201 0.732 -2.182 1.00 53.25 H new ATOM 0 HA TYR A 107 0.329 0.152 -4.299 1.00 23.34 H new ATOM 0 HB2 TYR A 107 -0.308 1.524 -2.385 1.00 45.44 H new ATOM 0 HB3 TYR A 107 1.041 2.613 -2.640 1.00 45.44 H new ATOM 0 HD1 TYR A 107 -2.262 1.564 -4.080 1.00 2.01 H new ATOM 0 HD2 TYR A 107 0.826 4.520 -4.118 1.00 70.44 H new ATOM 0 HE1 TYR A 107 -3.690 3.049 -5.411 1.00 1.02 H new ATOM 0 HE2 TYR A 107 -0.605 5.995 -5.454 1.00 34.51 H new ATOM 0 HH TYR A 107 -2.563 6.281 -6.446 1.00 22.34 H new ATOM 174 N LYS A 108 3.025 1.884 -4.998 1.00 64.43 N ATOM 175 CA LYS A 108 3.832 2.489 -6.067 1.00 51.15 C ATOM 176 C LYS A 108 4.374 1.416 -7.027 1.00 54.12 C ATOM 177 O LYS A 108 4.185 1.502 -8.245 1.00 43.42 O ATOM 178 CB LYS A 108 5.001 3.307 -5.458 1.00 41.21 C ATOM 179 CG LYS A 108 4.560 4.517 -4.601 1.00 3.43 C ATOM 180 CD LYS A 108 5.749 5.288 -3.985 1.00 50.44 C ATOM 181 CE LYS A 108 6.742 5.802 -5.039 1.00 1.15 C ATOM 182 NZ LYS A 108 7.817 6.625 -4.434 1.00 1.51 N ATOM 0 H LYS A 108 3.513 1.809 -4.106 1.00 64.43 H new ATOM 0 HA LYS A 108 3.190 3.160 -6.639 1.00 51.15 H new ATOM 0 HB2 LYS A 108 5.609 2.644 -4.842 1.00 41.21 H new ATOM 0 HB3 LYS A 108 5.638 3.664 -6.267 1.00 41.21 H new ATOM 0 HG2 LYS A 108 3.974 5.198 -5.218 1.00 3.43 H new ATOM 0 HG3 LYS A 108 3.906 4.169 -3.801 1.00 3.43 H new ATOM 0 HD2 LYS A 108 5.369 6.132 -3.410 1.00 50.44 H new ATOM 0 HD3 LYS A 108 6.274 4.637 -3.286 1.00 50.44 H new ATOM 0 HE2 LYS A 108 7.185 4.955 -5.563 1.00 1.15 H new ATOM 0 HE3 LYS A 108 6.208 6.393 -5.783 1.00 1.15 H new ATOM 0 HZ1 LYS A 108 8.465 6.952 -5.179 1.00 1.51 H new ATOM 0 HZ2 LYS A 108 7.397 7.447 -3.955 1.00 1.51 H new ATOM 0 HZ3 LYS A 108 8.344 6.054 -3.743 1.00 1.51 H new ATOM 196 N ARG A 109 5.039 0.398 -6.457 1.00 53.32 N ATOM 197 CA ARG A 109 5.786 -0.612 -7.232 1.00 32.30 C ATOM 198 C ARG A 109 4.850 -1.710 -7.763 1.00 64.54 C ATOM 199 O ARG A 109 4.862 -2.031 -8.958 1.00 31.24 O ATOM 200 CB ARG A 109 6.898 -1.245 -6.348 1.00 3.34 C ATOM 201 CG ARG A 109 7.867 -0.238 -5.686 1.00 23.13 C ATOM 202 CD ARG A 109 8.559 0.698 -6.686 1.00 25.31 C ATOM 203 NE ARG A 109 9.459 1.647 -6.009 1.00 23.42 N ATOM 204 CZ ARG A 109 9.958 2.772 -6.545 1.00 42.32 C ATOM 205 NH1 ARG A 109 9.662 3.124 -7.793 1.00 41.01 N ATOM 206 NH2 ARG A 109 10.742 3.554 -5.815 1.00 1.32 N ATOM 0 H ARG A 109 5.075 0.250 -5.448 1.00 53.32 H new ATOM 0 HA ARG A 109 6.243 -0.113 -8.087 1.00 32.30 H new ATOM 0 HB2 ARG A 109 6.424 -1.837 -5.565 1.00 3.34 H new ATOM 0 HB3 ARG A 109 7.479 -1.934 -6.961 1.00 3.34 H new ATOM 0 HG2 ARG A 109 7.315 0.362 -4.962 1.00 23.13 H new ATOM 0 HG3 ARG A 109 8.627 -0.789 -5.131 1.00 23.13 H new ATOM 0 HD2 ARG A 109 9.127 0.107 -7.405 1.00 25.31 H new ATOM 0 HD3 ARG A 109 7.806 1.249 -7.250 1.00 25.31 H new ATOM 0 HE ARG A 109 9.727 1.430 -5.049 1.00 23.42 H new ATOM 0 HH11 ARG A 109 9.048 2.536 -8.357 1.00 41.01 H new ATOM 0 HH12 ARG A 109 10.049 3.982 -8.186 1.00 41.01 H new ATOM 0 HH21 ARG A 109 10.963 3.299 -4.852 1.00 1.32 H new ATOM 0 HH22 ARG A 109 11.124 4.410 -6.216 1.00 1.32 H new ATOM 220 N SER A 110 4.026 -2.265 -6.863 1.00 54.13 N ATOM 221 CA SER A 110 3.168 -3.433 -7.159 1.00 14.21 C ATOM 222 C SER A 110 1.705 -3.023 -7.421 1.00 42.10 C ATOM 223 O SER A 110 0.953 -3.788 -8.032 1.00 23.44 O ATOM 224 CB SER A 110 3.245 -4.422 -5.975 1.00 23.54 C ATOM 225 OG SER A 110 4.588 -4.801 -5.719 1.00 31.43 O ATOM 0 H SER A 110 3.932 -1.921 -5.908 1.00 54.13 H new ATOM 0 HA SER A 110 3.533 -3.908 -8.070 1.00 14.21 H new ATOM 0 HB2 SER A 110 2.816 -3.963 -5.084 1.00 23.54 H new ATOM 0 HB3 SER A 110 2.649 -5.307 -6.196 1.00 23.54 H new ATOM 0 HG SER A 110 4.613 -5.426 -4.965 1.00 31.43 H new ATOM 231 N GLN A 111 1.324 -1.812 -6.935 1.00 33.44 N ATOM 232 CA GLN A 111 -0.071 -1.292 -6.963 1.00 44.33 C ATOM 233 C GLN A 111 -1.026 -2.198 -6.155 1.00 34.12 C ATOM 234 O GLN A 111 -2.239 -2.227 -6.399 1.00 11.41 O ATOM 235 CB GLN A 111 -0.565 -1.061 -8.423 1.00 43.01 C ATOM 236 CG GLN A 111 0.245 -0.007 -9.204 1.00 53.33 C ATOM 237 CD GLN A 111 -0.230 0.194 -10.647 1.00 15.45 C ATOM 238 OE1 GLN A 111 -0.724 -0.731 -11.294 1.00 12.43 O ATOM 239 NE2 GLN A 111 -0.096 1.408 -11.157 1.00 54.12 N ATOM 0 H GLN A 111 1.984 -1.162 -6.508 1.00 33.44 H new ATOM 0 HA GLN A 111 -0.073 -0.318 -6.474 1.00 44.33 H new ATOM 0 HB2 GLN A 111 -0.524 -2.007 -8.963 1.00 43.01 H new ATOM 0 HB3 GLN A 111 -1.610 -0.754 -8.397 1.00 43.01 H new ATOM 0 HG2 GLN A 111 0.188 0.945 -8.677 1.00 53.33 H new ATOM 0 HG3 GLN A 111 1.294 -0.303 -9.215 1.00 53.33 H new ATOM 0 HE21 GLN A 111 0.317 2.154 -10.597 1.00 54.12 H new ATOM 0 HE22 GLN A 111 -0.406 1.598 -12.110 1.00 54.12 H new ATOM 248 N ALA A 112 -0.458 -2.884 -5.151 1.00 55.30 N ATOM 249 CA ALA A 112 -1.174 -3.845 -4.304 1.00 63.14 C ATOM 250 C ALA A 112 -0.524 -3.874 -2.914 1.00 75.34 C ATOM 251 O ALA A 112 0.678 -4.141 -2.796 1.00 55.52 O ATOM 252 CB ALA A 112 -1.157 -5.240 -4.952 1.00 62.51 C ATOM 0 H ALA A 112 0.526 -2.784 -4.903 1.00 55.30 H new ATOM 0 HA ALA A 112 -2.215 -3.539 -4.199 1.00 63.14 H new ATOM 0 HB1 ALA A 112 -1.691 -5.944 -4.314 1.00 62.51 H new ATOM 0 HB2 ALA A 112 -1.642 -5.194 -5.927 1.00 62.51 H new ATOM 0 HB3 ALA A 112 -0.126 -5.572 -5.074 1.00 62.51 H new ATOM 258 N CYS A 113 -1.321 -3.585 -1.874 1.00 40.04 N ATOM 259 CA CYS A 113 -0.854 -3.525 -0.479 1.00 23.50 C ATOM 260 C CYS A 113 -1.622 -4.563 0.357 1.00 11.50 C ATOM 261 O CYS A 113 -2.859 -4.565 0.365 1.00 44.52 O ATOM 262 CB CYS A 113 -1.067 -2.092 0.058 1.00 62.21 C ATOM 263 SG CYS A 113 -0.563 -1.796 1.783 1.00 42.21 S ATOM 0 H CYS A 113 -2.316 -3.385 -1.978 1.00 40.04 H new ATOM 0 HA CYS A 113 0.208 -3.761 -0.416 1.00 23.50 H new ATOM 0 HB2 CYS A 113 -0.519 -1.401 -0.582 1.00 62.21 H new ATOM 0 HB3 CYS A 113 -2.124 -1.844 -0.037 1.00 62.21 H new ATOM 0 HG CYS A 113 0.127 -0.696 1.851 1.00 42.21 H new ATOM 268 N SER A 114 -0.873 -5.433 1.061 1.00 42.52 N ATOM 269 CA SER A 114 -1.435 -6.570 1.822 1.00 42.14 C ATOM 270 C SER A 114 -2.114 -6.111 3.128 1.00 74.52 C ATOM 271 O SER A 114 -2.935 -6.838 3.698 1.00 4.41 O ATOM 272 CB SER A 114 -0.314 -7.596 2.111 1.00 32.12 C ATOM 273 OG SER A 114 0.311 -8.018 0.905 1.00 23.41 O ATOM 0 H SER A 114 0.143 -5.368 1.119 1.00 42.52 H new ATOM 0 HA SER A 114 -2.210 -7.040 1.216 1.00 42.14 H new ATOM 0 HB2 SER A 114 0.429 -7.152 2.774 1.00 32.12 H new ATOM 0 HB3 SER A 114 -0.730 -8.459 2.631 1.00 32.12 H new ATOM 0 HG SER A 114 1.017 -8.665 1.112 1.00 23.41 H new ATOM 279 N TYR A 115 -1.770 -4.895 3.580 1.00 33.03 N ATOM 280 CA TYR A 115 -2.347 -4.288 4.794 1.00 42.53 C ATOM 281 C TYR A 115 -3.702 -3.610 4.501 1.00 23.14 C ATOM 282 O TYR A 115 -4.479 -3.357 5.430 1.00 32.24 O ATOM 283 CB TYR A 115 -1.346 -3.275 5.393 1.00 33.35 C ATOM 284 CG TYR A 115 -0.019 -3.903 5.874 1.00 21.23 C ATOM 285 CD1 TYR A 115 1.080 -4.050 5.019 1.00 40.24 C ATOM 286 CD2 TYR A 115 0.128 -4.352 7.189 1.00 50.41 C ATOM 287 CE1 TYR A 115 2.264 -4.617 5.462 1.00 71.53 C ATOM 288 CE2 TYR A 115 1.307 -4.915 7.632 1.00 54.33 C ATOM 289 CZ TYR A 115 2.371 -5.046 6.769 1.00 12.52 C ATOM 290 OH TYR A 115 3.547 -5.612 7.218 1.00 62.13 O ATOM 0 H TYR A 115 -1.083 -4.302 3.114 1.00 33.03 H new ATOM 0 HA TYR A 115 -2.534 -5.080 5.519 1.00 42.53 H new ATOM 0 HB2 TYR A 115 -1.124 -2.515 4.644 1.00 33.35 H new ATOM 0 HB3 TYR A 115 -1.820 -2.767 6.233 1.00 33.35 H new ATOM 0 HD1 TYR A 115 1.003 -3.715 3.995 1.00 40.24 H new ATOM 0 HD2 TYR A 115 -0.701 -4.256 7.875 1.00 50.41 H new ATOM 0 HE1 TYR A 115 3.100 -4.723 4.787 1.00 71.53 H new ATOM 0 HE2 TYR A 115 1.395 -5.252 8.654 1.00 54.33 H new ATOM 0 HH TYR A 115 3.452 -5.857 8.162 1.00 62.13 H new ATOM 300 N GLY A 116 -3.968 -3.321 3.209 1.00 51.01 N ATOM 301 CA GLY A 116 -5.232 -2.709 2.775 1.00 52.04 C ATOM 302 C GLY A 116 -5.413 -1.278 3.284 1.00 22.41 C ATOM 303 O GLY A 116 -4.474 -0.486 3.235 1.00 5.01 O ATOM 0 H GLY A 116 -3.315 -3.505 2.447 1.00 51.01 H new ATOM 0 HA2 GLY A 116 -5.273 -2.709 1.686 1.00 52.04 H new ATOM 0 HA3 GLY A 116 -6.064 -3.320 3.125 1.00 52.04 H new ATOM 307 N ASP A 117 -6.621 -0.952 3.785 1.00 74.31 N ATOM 308 CA ASP A 117 -6.926 0.378 4.377 1.00 35.00 C ATOM 309 C ASP A 117 -6.207 0.568 5.728 1.00 53.33 C ATOM 310 O ASP A 117 -5.991 1.702 6.170 1.00 53.43 O ATOM 311 CB ASP A 117 -8.456 0.563 4.562 1.00 65.22 C ATOM 312 CG ASP A 117 -9.226 0.646 3.234 1.00 63.13 C ATOM 313 OD1 ASP A 117 -9.664 -0.404 2.713 1.00 75.44 O ATOM 314 OD2 ASP A 117 -9.404 1.767 2.702 1.00 12.14 O ATOM 0 H ASP A 117 -7.413 -1.595 3.794 1.00 74.31 H new ATOM 0 HA ASP A 117 -6.561 1.135 3.683 1.00 35.00 H new ATOM 0 HB2 ASP A 117 -8.847 -0.268 5.149 1.00 65.22 H new ATOM 0 HB3 ASP A 117 -8.638 1.471 5.136 1.00 65.22 H new ATOM 319 N GLN A 118 -5.819 -0.555 6.364 1.00 24.31 N ATOM 320 CA GLN A 118 -5.083 -0.551 7.647 1.00 72.41 C ATOM 321 C GLN A 118 -3.568 -0.299 7.435 1.00 64.31 C ATOM 322 O GLN A 118 -2.784 -0.383 8.388 1.00 75.44 O ATOM 323 CB GLN A 118 -5.314 -1.899 8.390 1.00 32.01 C ATOM 324 CG GLN A 118 -6.793 -2.238 8.706 1.00 20.42 C ATOM 325 CD GLN A 118 -7.459 -1.355 9.778 1.00 71.44 C ATOM 326 OE1 GLN A 118 -7.130 -0.183 9.958 1.00 1.53 O ATOM 327 NE2 GLN A 118 -8.417 -1.920 10.499 1.00 73.14 N ATOM 0 H GLN A 118 -6.006 -1.491 6.004 1.00 24.31 H new ATOM 0 HA GLN A 118 -5.467 0.267 8.257 1.00 72.41 H new ATOM 0 HB2 GLN A 118 -4.895 -2.704 7.786 1.00 32.01 H new ATOM 0 HB3 GLN A 118 -4.755 -1.879 9.326 1.00 32.01 H new ATOM 0 HG2 GLN A 118 -7.371 -2.160 7.785 1.00 20.42 H new ATOM 0 HG3 GLN A 118 -6.849 -3.277 9.030 1.00 20.42 H new ATOM 0 HE21 GLN A 118 -8.674 -2.893 10.333 1.00 73.14 H new ATOM 0 HE22 GLN A 118 -8.898 -1.382 11.220 1.00 73.14 H new ATOM 336 N CYS A 119 -3.172 -0.009 6.177 1.00 41.25 N ATOM 337 CA CYS A 119 -1.791 0.347 5.810 1.00 74.03 C ATOM 338 C CYS A 119 -1.364 1.658 6.490 1.00 11.13 C ATOM 339 O CYS A 119 -2.102 2.649 6.462 1.00 14.35 O ATOM 340 CB CYS A 119 -1.677 0.478 4.274 1.00 53.21 C ATOM 341 SG CYS A 119 -0.016 0.866 3.634 1.00 72.11 S ATOM 0 H CYS A 119 -3.811 -0.017 5.382 1.00 41.25 H new ATOM 0 HA CYS A 119 -1.124 -0.444 6.154 1.00 74.03 H new ATOM 0 HB2 CYS A 119 -2.011 -0.456 3.823 1.00 53.21 H new ATOM 0 HB3 CYS A 119 -2.365 1.256 3.942 1.00 53.21 H new ATOM 0 HG CYS A 119 0.043 2.125 3.316 1.00 72.11 H new ATOM 346 N ARG A 120 -0.158 1.649 7.089 1.00 11.12 N ATOM 347 CA ARG A 120 0.422 2.828 7.770 1.00 52.44 C ATOM 348 C ARG A 120 1.132 3.766 6.771 1.00 24.43 C ATOM 349 O ARG A 120 1.820 4.707 7.181 1.00 22.41 O ATOM 350 CB ARG A 120 1.406 2.375 8.888 1.00 54.13 C ATOM 351 CG ARG A 120 2.594 1.511 8.398 1.00 61.22 C ATOM 352 CD ARG A 120 3.628 1.234 9.501 1.00 50.33 C ATOM 353 NE ARG A 120 4.251 2.475 10.001 1.00 23.14 N ATOM 354 CZ ARG A 120 5.272 2.535 10.874 1.00 1.11 C ATOM 355 NH1 ARG A 120 5.824 1.429 11.367 1.00 32.34 N ATOM 356 NH2 ARG A 120 5.734 3.717 11.258 1.00 3.13 N ATOM 0 H ARG A 120 0.443 0.826 7.116 1.00 11.12 H new ATOM 0 HA ARG A 120 -0.395 3.388 8.224 1.00 52.44 H new ATOM 0 HB2 ARG A 120 1.800 3.261 9.386 1.00 54.13 H new ATOM 0 HB3 ARG A 120 0.849 1.811 9.636 1.00 54.13 H new ATOM 0 HG2 ARG A 120 2.214 0.563 8.017 1.00 61.22 H new ATOM 0 HG3 ARG A 120 3.085 2.016 7.566 1.00 61.22 H new ATOM 0 HD2 ARG A 120 3.145 0.713 10.327 1.00 50.33 H new ATOM 0 HD3 ARG A 120 4.402 0.571 9.114 1.00 50.33 H new ATOM 0 HE ARG A 120 3.877 3.359 9.656 1.00 23.14 H new ATOM 0 HH11 ARG A 120 5.473 0.514 11.084 1.00 32.34 H new ATOM 0 HH12 ARG A 120 6.598 1.496 12.028 1.00 32.34 H new ATOM 0 HH21 ARG A 120 5.315 4.572 10.892 1.00 3.13 H new ATOM 0 HH22 ARG A 120 6.508 3.771 11.920 1.00 3.13 H new ATOM 370 N PHE A 121 0.962 3.494 5.464 1.00 25.24 N ATOM 371 CA PHE A 121 1.487 4.331 4.374 1.00 10.02 C ATOM 372 C PHE A 121 0.348 4.679 3.390 1.00 31.51 C ATOM 373 O PHE A 121 -0.508 3.835 3.096 1.00 31.14 O ATOM 374 CB PHE A 121 2.639 3.603 3.647 1.00 50.22 C ATOM 375 CG PHE A 121 3.879 3.349 4.500 1.00 1.42 C ATOM 376 CD1 PHE A 121 4.782 4.380 4.771 1.00 11.54 C ATOM 377 CD2 PHE A 121 4.143 2.087 5.030 1.00 42.25 C ATOM 378 CE1 PHE A 121 5.905 4.152 5.546 1.00 62.05 C ATOM 379 CE2 PHE A 121 5.265 1.861 5.802 1.00 3.44 C ATOM 380 CZ PHE A 121 6.146 2.893 6.060 1.00 63.34 C ATOM 0 H PHE A 121 0.450 2.676 5.133 1.00 25.24 H new ATOM 0 HA PHE A 121 1.883 5.257 4.791 1.00 10.02 H new ATOM 0 HB2 PHE A 121 2.269 2.647 3.277 1.00 50.22 H new ATOM 0 HB3 PHE A 121 2.929 4.191 2.777 1.00 50.22 H new ATOM 0 HD1 PHE A 121 4.601 5.367 4.371 1.00 11.54 H new ATOM 0 HD2 PHE A 121 3.460 1.274 4.834 1.00 42.25 H new ATOM 0 HE1 PHE A 121 6.594 4.959 5.749 1.00 62.05 H new ATOM 0 HE2 PHE A 121 5.454 0.877 6.204 1.00 3.44 H new ATOM 0 HZ PHE A 121 7.024 2.715 6.664 1.00 63.34 H new ATOM 390 N ALA A 122 0.361 5.929 2.899 1.00 51.02 N ATOM 391 CA ALA A 122 -0.716 6.527 2.087 1.00 70.31 C ATOM 392 C ALA A 122 -0.832 5.898 0.684 1.00 14.21 C ATOM 393 O ALA A 122 0.163 5.755 -0.028 1.00 45.33 O ATOM 394 CB ALA A 122 -0.476 8.037 1.971 1.00 32.25 C ATOM 0 H ALA A 122 1.139 6.569 3.059 1.00 51.02 H new ATOM 0 HA ALA A 122 -1.660 6.327 2.594 1.00 70.31 H new ATOM 0 HB1 ALA A 122 -1.268 8.486 1.372 1.00 32.25 H new ATOM 0 HB2 ALA A 122 -0.476 8.483 2.966 1.00 32.25 H new ATOM 0 HB3 ALA A 122 0.487 8.217 1.493 1.00 32.25 H new ATOM 400 N HIS A 123 -2.075 5.568 0.285 1.00 52.51 N ATOM 401 CA HIS A 123 -2.383 4.963 -1.030 1.00 2.21 C ATOM 402 C HIS A 123 -2.788 6.050 -2.053 1.00 62.11 C ATOM 403 O HIS A 123 -3.759 5.888 -2.805 1.00 33.12 O ATOM 404 CB HIS A 123 -3.494 3.880 -0.867 1.00 70.14 C ATOM 405 CG HIS A 123 -3.064 2.631 -0.130 1.00 73.40 C ATOM 406 ND1 HIS A 123 -3.859 1.521 0.017 1.00 11.23 N ATOM 407 CD2 HIS A 123 -1.892 2.324 0.482 1.00 63.34 C ATOM 408 CE1 HIS A 123 -3.166 0.600 0.680 1.00 14.53 C ATOM 409 NE2 HIS A 123 -1.953 1.033 0.992 1.00 52.42 N ATOM 0 H HIS A 123 -2.900 5.713 0.867 1.00 52.51 H new ATOM 0 HA HIS A 123 -1.488 4.475 -1.417 1.00 2.21 H new ATOM 0 HB2 HIS A 123 -4.338 4.323 -0.339 1.00 70.14 H new ATOM 0 HB3 HIS A 123 -3.851 3.595 -1.857 1.00 70.14 H new ATOM 0 HD2 HIS A 123 -1.041 2.984 0.561 1.00 63.34 H new ATOM 0 HE1 HIS A 123 -3.545 -0.379 0.933 1.00 14.53 H new ATOM 0 HE2 HIS A 123 -1.224 0.529 1.496 1.00 52.42 H new ATOM 417 N GLY A 124 -2.007 7.143 -2.091 1.00 1.41 N ATOM 418 CA GLY A 124 -2.218 8.238 -3.045 1.00 73.34 C ATOM 419 C GLY A 124 -1.991 9.606 -2.422 1.00 54.42 C ATOM 420 O GLY A 124 -1.810 9.717 -1.199 1.00 42.13 O ATOM 0 H GLY A 124 -1.216 7.289 -1.463 1.00 1.41 H new ATOM 0 HA2 GLY A 124 -1.544 8.112 -3.892 1.00 73.34 H new ATOM 0 HA3 GLY A 124 -3.234 8.184 -3.435 1.00 73.34 H new ATOM 424 N VAL A 125 -2.029 10.655 -3.269 1.00 44.11 N ATOM 425 CA VAL A 125 -1.793 12.052 -2.842 1.00 72.14 C ATOM 426 C VAL A 125 -2.972 12.578 -1.989 1.00 45.11 C ATOM 427 O VAL A 125 -2.795 13.466 -1.151 1.00 42.55 O ATOM 428 CB VAL A 125 -1.527 12.997 -4.082 1.00 41.11 C ATOM 429 CG1 VAL A 125 -2.787 13.174 -4.965 1.00 0.34 C ATOM 430 CG2 VAL A 125 -0.938 14.362 -3.643 1.00 30.03 C ATOM 0 H VAL A 125 -2.223 10.559 -4.266 1.00 44.11 H new ATOM 0 HA VAL A 125 -0.897 12.060 -2.222 1.00 72.14 H new ATOM 0 HB VAL A 125 -0.778 12.502 -4.701 1.00 41.11 H new ATOM 0 HG11 VAL A 125 -2.555 13.831 -5.803 1.00 0.34 H new ATOM 0 HG12 VAL A 125 -3.106 12.203 -5.343 1.00 0.34 H new ATOM 0 HG13 VAL A 125 -3.589 13.613 -4.371 1.00 0.34 H new ATOM 0 HG21 VAL A 125 -0.768 14.985 -4.522 1.00 30.03 H new ATOM 0 HG22 VAL A 125 -1.638 14.862 -2.974 1.00 30.03 H new ATOM 0 HG23 VAL A 125 0.007 14.201 -3.125 1.00 30.03 H new ATOM 440 N HIS A 126 -4.164 11.983 -2.194 1.00 11.13 N ATOM 441 CA HIS A 126 -5.386 12.320 -1.435 1.00 41.03 C ATOM 442 C HIS A 126 -5.271 11.841 0.031 1.00 1.24 C ATOM 443 O HIS A 126 -5.895 12.410 0.932 1.00 43.23 O ATOM 444 CB HIS A 126 -6.632 11.699 -2.128 1.00 32.33 C ATOM 445 CG HIS A 126 -6.664 10.185 -2.137 1.00 40.31 C ATOM 446 ND1 HIS A 126 -5.740 9.450 -2.842 1.00 70.42 N ATOM 447 CD2 HIS A 126 -7.516 9.332 -1.516 1.00 34.43 C ATOM 448 CE1 HIS A 126 -6.052 8.183 -2.636 1.00 54.55 C ATOM 449 NE2 HIS A 126 -7.120 8.064 -1.840 1.00 62.10 N ATOM 0 H HIS A 126 -4.307 11.253 -2.892 1.00 11.13 H new ATOM 0 HA HIS A 126 -5.502 13.404 -1.422 1.00 41.03 H new ATOM 0 HB2 HIS A 126 -7.529 12.065 -1.628 1.00 32.33 H new ATOM 0 HB3 HIS A 126 -6.674 12.056 -3.157 1.00 32.33 H new ATOM 0 HD2 HIS A 126 -8.350 9.603 -0.885 1.00 34.43 H new ATOM 0 HE1 HIS A 126 -5.512 7.348 -3.058 1.00 54.55 H new ATOM 0 HE2 HIS A 126 -7.556 7.194 -1.533 1.00 62.10 H new ATOM 457 N GLU A 127 -4.459 10.787 0.246 1.00 12.13 N ATOM 458 CA GLU A 127 -4.188 10.232 1.584 1.00 4.34 C ATOM 459 C GLU A 127 -2.951 10.881 2.238 1.00 41.13 C ATOM 460 O GLU A 127 -2.726 10.692 3.439 1.00 1.10 O ATOM 461 CB GLU A 127 -4.035 8.692 1.499 1.00 72.31 C ATOM 462 CG GLU A 127 -5.345 7.939 1.209 1.00 24.23 C ATOM 463 CD GLU A 127 -6.410 8.153 2.305 1.00 11.43 C ATOM 464 OE1 GLU A 127 -6.251 7.579 3.412 1.00 61.44 O ATOM 465 OE2 GLU A 127 -7.393 8.901 2.078 1.00 24.01 O ATOM 0 H GLU A 127 -3.973 10.297 -0.505 1.00 12.13 H new ATOM 0 HA GLU A 127 -5.039 10.465 2.224 1.00 4.34 H new ATOM 0 HB2 GLU A 127 -3.312 8.453 0.719 1.00 72.31 H new ATOM 0 HB3 GLU A 127 -3.621 8.328 2.439 1.00 72.31 H new ATOM 0 HG2 GLU A 127 -5.745 8.270 0.250 1.00 24.23 H new ATOM 0 HG3 GLU A 127 -5.134 6.874 1.116 1.00 24.23 H new ATOM 472 N LEU A 128 -2.156 11.641 1.457 1.00 13.13 N ATOM 473 CA LEU A 128 -0.982 12.358 1.988 1.00 20.50 C ATOM 474 C LEU A 128 -1.426 13.597 2.783 1.00 20.43 C ATOM 475 O LEU A 128 -1.939 14.569 2.219 1.00 14.43 O ATOM 476 CB LEU A 128 -0.015 12.779 0.843 1.00 33.15 C ATOM 477 CG LEU A 128 0.777 11.625 0.151 1.00 24.22 C ATOM 478 CD1 LEU A 128 1.659 12.155 -0.995 1.00 20.22 C ATOM 479 CD2 LEU A 128 1.626 10.843 1.173 1.00 64.11 C ATOM 0 H LEU A 128 -2.307 11.773 0.457 1.00 13.13 H new ATOM 0 HA LEU A 128 -0.449 11.679 2.654 1.00 20.50 H new ATOM 0 HB2 LEU A 128 -0.593 13.303 0.082 1.00 33.15 H new ATOM 0 HB3 LEU A 128 0.703 13.494 1.246 1.00 33.15 H new ATOM 0 HG LEU A 128 0.045 10.941 -0.279 1.00 24.22 H new ATOM 0 HD11 LEU A 128 2.196 11.325 -1.454 1.00 20.22 H new ATOM 0 HD12 LEU A 128 1.031 12.640 -1.743 1.00 20.22 H new ATOM 0 HD13 LEU A 128 2.375 12.876 -0.600 1.00 20.22 H new ATOM 0 HD21 LEU A 128 2.166 10.046 0.663 1.00 64.11 H new ATOM 0 HD22 LEU A 128 2.338 11.518 1.647 1.00 64.11 H new ATOM 0 HD23 LEU A 128 0.974 10.411 1.933 1.00 64.11 H new ATOM 491 N ARG A 129 -1.236 13.525 4.099 1.00 73.04 N ATOM 492 CA ARG A 129 -1.373 14.659 5.031 1.00 34.42 C ATOM 493 C ARG A 129 -0.008 14.871 5.699 1.00 23.33 C ATOM 494 O ARG A 129 0.750 13.912 5.854 1.00 63.20 O ATOM 495 CB ARG A 129 -2.488 14.387 6.104 1.00 2.34 C ATOM 496 CG ARG A 129 -3.917 14.872 5.733 1.00 62.53 C ATOM 497 CD ARG A 129 -4.529 14.176 4.503 1.00 43.21 C ATOM 498 NE ARG A 129 -4.629 12.712 4.673 1.00 34.44 N ATOM 499 CZ ARG A 129 -5.732 11.967 4.469 1.00 1.23 C ATOM 500 NH1 ARG A 129 -6.878 12.521 4.084 1.00 75.30 N ATOM 501 NH2 ARG A 129 -5.662 10.656 4.622 1.00 11.04 N ATOM 0 H ARG A 129 -0.975 12.656 4.566 1.00 73.04 H new ATOM 0 HA ARG A 129 -1.677 15.555 4.490 1.00 34.42 H new ATOM 0 HB2 ARG A 129 -2.527 13.315 6.296 1.00 2.34 H new ATOM 0 HB3 ARG A 129 -2.193 14.867 7.037 1.00 2.34 H new ATOM 0 HG2 ARG A 129 -4.574 14.714 6.588 1.00 62.53 H new ATOM 0 HG3 ARG A 129 -3.886 15.946 5.549 1.00 62.53 H new ATOM 0 HD2 ARG A 129 -5.521 14.585 4.314 1.00 43.21 H new ATOM 0 HD3 ARG A 129 -3.921 14.396 3.625 1.00 43.21 H new ATOM 0 HE ARG A 129 -3.786 12.221 4.972 1.00 34.44 H new ATOM 0 HH11 ARG A 129 -6.933 13.529 3.938 1.00 75.30 H new ATOM 0 HH12 ARG A 129 -7.702 11.938 3.935 1.00 75.30 H new ATOM 0 HH21 ARG A 129 -4.780 10.220 4.892 1.00 11.04 H new ATOM 0 HH22 ARG A 129 -6.490 10.080 4.471 1.00 11.04 H new ATOM 772 N VAL A 145 9.012 44.770 4.257 1.00 73.04 N ATOM 773 CA VAL A 145 9.679 46.067 4.438 1.00 32.33 C ATOM 774 C VAL A 145 8.697 47.203 4.076 1.00 10.45 C ATOM 775 O VAL A 145 7.900 47.058 3.137 1.00 73.02 O ATOM 776 CB VAL A 145 10.979 46.152 3.545 1.00 24.31 C ATOM 777 CG1 VAL A 145 11.761 47.474 3.778 1.00 23.01 C ATOM 778 CG2 VAL A 145 11.890 44.922 3.782 1.00 24.22 C ATOM 0 HA VAL A 145 9.980 46.172 5.480 1.00 32.33 H new ATOM 0 HB VAL A 145 10.657 46.148 2.504 1.00 24.31 H new ATOM 0 HG11 VAL A 145 12.647 47.489 3.143 1.00 23.01 H new ATOM 0 HG12 VAL A 145 11.123 48.323 3.531 1.00 23.01 H new ATOM 0 HG13 VAL A 145 12.062 47.539 4.824 1.00 23.01 H new ATOM 0 HG21 VAL A 145 12.779 45.002 3.157 1.00 24.22 H new ATOM 0 HG22 VAL A 145 12.186 44.885 4.830 1.00 24.22 H new ATOM 0 HG23 VAL A 145 11.347 44.012 3.526 1.00 24.22 H new ATOM 788 N LEU A 146 8.743 48.312 4.839 1.00 54.03 N ATOM 789 CA LEU A 146 7.885 49.487 4.593 1.00 11.10 C ATOM 790 C LEU A 146 8.403 50.300 3.392 1.00 33.04 C ATOM 791 O LEU A 146 9.596 50.246 3.054 1.00 31.14 O ATOM 792 CB LEU A 146 7.801 50.384 5.858 1.00 61.33 C ATOM 793 CG LEU A 146 7.285 49.690 7.162 1.00 1.23 C ATOM 794 CD1 LEU A 146 7.163 50.700 8.322 1.00 60.41 C ATOM 795 CD2 LEU A 146 5.955 48.941 6.924 1.00 40.11 C ATOM 0 H LEU A 146 9.370 48.419 5.636 1.00 54.03 H new ATOM 0 HA LEU A 146 6.883 49.128 4.359 1.00 11.10 H new ATOM 0 HB2 LEU A 146 8.792 50.792 6.056 1.00 61.33 H new ATOM 0 HB3 LEU A 146 7.148 51.228 5.637 1.00 61.33 H new ATOM 0 HG LEU A 146 8.027 48.944 7.448 1.00 1.23 H new ATOM 0 HD11 LEU A 146 6.802 50.188 9.214 1.00 60.41 H new ATOM 0 HD12 LEU A 146 8.139 51.140 8.526 1.00 60.41 H new ATOM 0 HD13 LEU A 146 6.461 51.487 8.047 1.00 60.41 H new ATOM 0 HD21 LEU A 146 5.630 48.473 7.853 1.00 40.11 H new ATOM 0 HD22 LEU A 146 5.195 49.647 6.588 1.00 40.11 H new ATOM 0 HD23 LEU A 146 6.100 48.174 6.163 1.00 40.11 H new ATOM 807 N CYS A 147 7.486 51.049 2.763 1.00 51.55 N ATOM 808 CA CYS A 147 7.764 51.830 1.549 1.00 42.43 C ATOM 809 C CYS A 147 8.442 53.164 1.906 1.00 13.51 C ATOM 810 O CYS A 147 7.845 54.010 2.578 1.00 74.32 O ATOM 811 CB CYS A 147 6.437 52.053 0.791 1.00 53.45 C ATOM 812 SG CYS A 147 6.586 52.741 -0.888 1.00 73.11 S ATOM 0 H CYS A 147 6.522 51.130 3.086 1.00 51.55 H new ATOM 0 HA CYS A 147 8.454 51.285 0.905 1.00 42.43 H new ATOM 0 HB2 CYS A 147 5.913 51.099 0.727 1.00 53.45 H new ATOM 0 HB3 CYS A 147 5.811 52.721 1.382 1.00 53.45 H new ATOM 0 HG CYS A 147 6.617 51.771 -1.753 1.00 73.11 H new ATOM 817 N ASP A 148 9.696 53.322 1.445 1.00 1.15 N ATOM 818 CA ASP A 148 10.522 54.530 1.652 1.00 63.34 C ATOM 819 C ASP A 148 9.867 55.759 0.991 1.00 62.03 C ATOM 820 O ASP A 148 9.838 56.848 1.575 1.00 61.42 O ATOM 821 CB ASP A 148 11.945 54.276 1.073 1.00 54.22 C ATOM 822 CG ASP A 148 12.900 55.482 1.175 1.00 5.22 C ATOM 823 OD1 ASP A 148 13.360 55.794 2.294 1.00 54.23 O ATOM 824 OD2 ASP A 148 13.201 56.113 0.135 1.00 61.43 O ATOM 0 H ASP A 148 10.175 52.600 0.907 1.00 1.15 H new ATOM 0 HA ASP A 148 10.601 54.738 2.719 1.00 63.34 H new ATOM 0 HB2 ASP A 148 12.391 53.430 1.596 1.00 54.22 H new ATOM 0 HB3 ASP A 148 11.852 53.990 0.025 1.00 54.22 H new ATOM 829 N LYS A 149 9.314 55.544 -0.217 1.00 35.12 N ATOM 830 CA LYS A 149 8.617 56.584 -0.998 1.00 23.44 C ATOM 831 C LYS A 149 7.379 57.106 -0.237 1.00 45.22 C ATOM 832 O LYS A 149 7.221 58.313 -0.031 1.00 4.13 O ATOM 833 CB LYS A 149 8.189 56.000 -2.375 1.00 12.13 C ATOM 834 CG LYS A 149 9.319 55.378 -3.249 1.00 41.42 C ATOM 835 CD LYS A 149 10.295 56.403 -3.904 1.00 61.21 C ATOM 836 CE LYS A 149 11.445 56.871 -2.991 1.00 44.34 C ATOM 837 NZ LYS A 149 12.403 57.751 -3.711 1.00 1.34 N ATOM 0 H LYS A 149 9.338 54.637 -0.683 1.00 35.12 H new ATOM 0 HA LYS A 149 9.298 57.421 -1.152 1.00 23.44 H new ATOM 0 HB2 LYS A 149 7.433 55.235 -2.201 1.00 12.13 H new ATOM 0 HB3 LYS A 149 7.712 56.795 -2.949 1.00 12.13 H new ATOM 0 HG2 LYS A 149 9.899 54.693 -2.630 1.00 41.42 H new ATOM 0 HG3 LYS A 149 8.859 54.783 -4.038 1.00 41.42 H new ATOM 0 HD2 LYS A 149 10.721 55.956 -4.802 1.00 61.21 H new ATOM 0 HD3 LYS A 149 9.724 57.275 -4.223 1.00 61.21 H new ATOM 0 HE2 LYS A 149 11.034 57.406 -2.135 1.00 44.34 H new ATOM 0 HE3 LYS A 149 11.974 56.002 -2.600 1.00 44.34 H new ATOM 0 HZ1 LYS A 149 13.161 58.044 -3.062 1.00 1.34 H new ATOM 0 HZ2 LYS A 149 12.815 57.233 -4.513 1.00 1.34 H new ATOM 0 HZ3 LYS A 149 11.904 58.593 -4.063 1.00 1.34 H new ATOM 851 N PHE A 150 6.544 56.155 0.221 1.00 12.31 N ATOM 852 CA PHE A 150 5.261 56.440 0.903 1.00 70.52 C ATOM 853 C PHE A 150 5.520 57.077 2.290 1.00 72.03 C ATOM 854 O PHE A 150 4.703 57.854 2.793 1.00 21.21 O ATOM 855 CB PHE A 150 4.451 55.114 1.021 1.00 0.02 C ATOM 856 CG PHE A 150 2.966 55.265 1.371 1.00 22.23 C ATOM 857 CD1 PHE A 150 2.520 55.284 2.693 1.00 11.11 C ATOM 858 CD2 PHE A 150 2.009 55.377 0.359 1.00 24.21 C ATOM 859 CE1 PHE A 150 1.174 55.414 2.982 1.00 31.04 C ATOM 860 CE2 PHE A 150 0.666 55.508 0.655 1.00 54.10 C ATOM 861 CZ PHE A 150 0.248 55.525 1.966 1.00 54.02 C ATOM 0 H PHE A 150 6.739 55.158 0.129 1.00 12.31 H new ATOM 0 HA PHE A 150 4.678 57.156 0.324 1.00 70.52 H new ATOM 0 HB2 PHE A 150 4.529 54.578 0.075 1.00 0.02 H new ATOM 0 HB3 PHE A 150 4.922 54.490 1.781 1.00 0.02 H new ATOM 0 HD1 PHE A 150 3.234 55.196 3.499 1.00 11.11 H new ATOM 0 HD2 PHE A 150 2.325 55.361 -0.674 1.00 24.21 H new ATOM 0 HE1 PHE A 150 0.846 55.429 4.011 1.00 31.04 H new ATOM 0 HE2 PHE A 150 -0.056 55.597 -0.143 1.00 54.10 H new ATOM 0 HZ PHE A 150 -0.802 55.625 2.199 1.00 54.02 H new ATOM 871 N SER A 151 6.688 56.747 2.877 1.00 55.43 N ATOM 872 CA SER A 151 7.120 57.269 4.180 1.00 0.20 C ATOM 873 C SER A 151 7.519 58.757 4.086 1.00 34.40 C ATOM 874 O SER A 151 7.119 59.567 4.932 1.00 74.43 O ATOM 875 CB SER A 151 8.299 56.422 4.722 1.00 41.23 C ATOM 876 OG SER A 151 8.772 56.898 5.975 1.00 63.51 O ATOM 0 H SER A 151 7.359 56.106 2.454 1.00 55.43 H new ATOM 0 HA SER A 151 6.281 57.197 4.872 1.00 0.20 H new ATOM 0 HB2 SER A 151 7.981 55.385 4.826 1.00 41.23 H new ATOM 0 HB3 SER A 151 9.115 56.434 3.999 1.00 41.23 H new ATOM 0 HG SER A 151 9.514 56.335 6.280 1.00 63.51 H new ATOM 882 N MET A 152 8.306 59.113 3.046 1.00 62.13 N ATOM 883 CA MET A 152 8.878 60.474 2.906 1.00 63.43 C ATOM 884 C MET A 152 7.863 61.465 2.311 1.00 34.20 C ATOM 885 O MET A 152 7.593 62.519 2.895 1.00 2.05 O ATOM 886 CB MET A 152 10.143 60.459 2.007 1.00 2.44 C ATOM 887 CG MET A 152 11.312 59.613 2.528 1.00 33.24 C ATOM 888 SD MET A 152 12.790 59.764 1.495 1.00 72.45 S ATOM 889 CE MET A 152 12.167 59.311 -0.125 1.00 11.32 C ATOM 0 H MET A 152 8.560 58.477 2.290 1.00 62.13 H new ATOM 0 HA MET A 152 9.144 60.801 3.911 1.00 63.43 H new ATOM 0 HB2 MET A 152 9.862 60.091 1.020 1.00 2.44 H new ATOM 0 HB3 MET A 152 10.488 61.485 1.878 1.00 2.44 H new ATOM 0 HG2 MET A 152 11.552 59.918 3.547 1.00 33.24 H new ATOM 0 HG3 MET A 152 11.008 58.567 2.572 1.00 33.24 H new ATOM 0 HE1 MET A 152 12.951 58.804 -0.687 1.00 11.32 H new ATOM 0 HE2 MET A 152 11.312 58.645 -0.013 1.00 11.32 H new ATOM 0 HE3 MET A 152 11.859 60.209 -0.661 1.00 11.32 H new ATOM 899 N THR A 153 7.294 61.099 1.149 1.00 62.21 N ATOM 900 CA THR A 153 6.489 62.022 0.319 1.00 33.21 C ATOM 901 C THR A 153 4.979 61.868 0.588 1.00 21.13 C ATOM 902 O THR A 153 4.164 62.569 -0.022 1.00 54.21 O ATOM 903 CB THR A 153 6.801 61.811 -1.211 1.00 11.22 C ATOM 904 OG1 THR A 153 6.418 60.493 -1.631 1.00 44.12 O ATOM 905 CG2 THR A 153 8.295 62.003 -1.530 1.00 75.42 C ATOM 0 H THR A 153 7.377 60.161 0.757 1.00 62.21 H new ATOM 0 HA THR A 153 6.770 63.038 0.598 1.00 33.21 H new ATOM 0 HB THR A 153 6.224 62.564 -1.749 1.00 11.22 H new ATOM 0 HG1 THR A 153 6.826 59.829 -1.037 1.00 44.12 H new ATOM 0 HG21 THR A 153 8.462 61.848 -2.596 1.00 75.42 H new ATOM 0 HG22 THR A 153 8.598 63.014 -1.259 1.00 75.42 H new ATOM 0 HG23 THR A 153 8.884 61.283 -0.962 1.00 75.42 H new ATOM 913 N GLY A 154 4.611 60.939 1.494 1.00 14.21 N ATOM 914 CA GLY A 154 3.208 60.704 1.859 1.00 71.13 C ATOM 915 C GLY A 154 2.568 59.599 1.027 1.00 53.42 C ATOM 916 O GLY A 154 1.862 58.737 1.560 1.00 64.42 O ATOM 0 H GLY A 154 5.273 60.339 1.986 1.00 14.21 H new ATOM 0 HA2 GLY A 154 3.150 60.440 2.915 1.00 71.13 H new ATOM 0 HA3 GLY A 154 2.642 61.627 1.729 1.00 71.13 H new ATOM 920 N ASN A 155 2.815 59.637 -0.293 1.00 72.40 N ATOM 921 CA ASN A 155 2.331 58.619 -1.252 1.00 10.21 C ATOM 922 C ASN A 155 3.514 57.994 -1.999 1.00 33.42 C ATOM 923 O ASN A 155 4.600 58.572 -2.067 1.00 54.12 O ATOM 924 CB ASN A 155 1.316 59.231 -2.256 1.00 1.13 C ATOM 925 CG ASN A 155 0.008 59.657 -1.587 1.00 74.11 C ATOM 926 OD1 ASN A 155 -0.147 60.803 -1.157 1.00 35.44 O ATOM 927 ND2 ASN A 155 -0.936 58.728 -1.476 1.00 64.05 N ATOM 0 H ASN A 155 3.360 60.379 -0.732 1.00 72.40 H new ATOM 0 HA ASN A 155 1.816 57.840 -0.690 1.00 10.21 H new ATOM 0 HB2 ASN A 155 1.769 60.095 -2.743 1.00 1.13 H new ATOM 0 HB3 ASN A 155 1.099 58.502 -3.037 1.00 1.13 H new ATOM 0 HD21 ASN A 155 -1.822 58.953 -1.024 1.00 64.05 H new ATOM 0 HD22 ASN A 155 -0.774 57.790 -1.843 1.00 64.05 H new ATOM 934 N CYS A 156 3.295 56.788 -2.527 1.00 13.51 N ATOM 935 CA CYS A 156 4.287 56.044 -3.315 1.00 12.31 C ATOM 936 C CYS A 156 3.957 56.193 -4.806 1.00 71.34 C ATOM 937 O CYS A 156 2.846 55.851 -5.232 1.00 11.41 O ATOM 938 CB CYS A 156 4.253 54.565 -2.887 1.00 62.13 C ATOM 939 SG CYS A 156 5.379 53.435 -3.775 1.00 11.25 S ATOM 0 H CYS A 156 2.411 56.291 -2.419 1.00 13.51 H new ATOM 0 HA CYS A 156 5.289 56.436 -3.142 1.00 12.31 H new ATOM 0 HB2 CYS A 156 4.485 54.512 -1.823 1.00 62.13 H new ATOM 0 HB3 CYS A 156 3.234 54.198 -3.009 1.00 62.13 H new ATOM 0 HG CYS A 156 6.260 52.960 -2.946 1.00 11.25 H new ATOM 944 N LYS A 157 4.924 56.707 -5.587 1.00 12.33 N ATOM 945 CA LYS A 157 4.752 56.952 -7.036 1.00 60.03 C ATOM 946 C LYS A 157 4.575 55.637 -7.825 1.00 33.35 C ATOM 947 O LYS A 157 3.967 55.633 -8.901 1.00 13.32 O ATOM 948 CB LYS A 157 5.951 57.770 -7.585 1.00 55.52 C ATOM 949 CG LYS A 157 7.325 57.087 -7.423 1.00 51.51 C ATOM 950 CD LYS A 157 8.486 57.967 -7.932 1.00 55.02 C ATOM 951 CE LYS A 157 9.856 57.286 -7.786 1.00 10.14 C ATOM 952 NZ LYS A 157 10.967 58.164 -8.235 1.00 31.21 N ATOM 0 H LYS A 157 5.846 56.965 -5.235 1.00 12.33 H new ATOM 0 HA LYS A 157 3.838 57.531 -7.171 1.00 60.03 H new ATOM 0 HB2 LYS A 157 5.783 57.970 -8.643 1.00 55.52 H new ATOM 0 HB3 LYS A 157 5.978 58.735 -7.078 1.00 55.52 H new ATOM 0 HG2 LYS A 157 7.487 56.849 -6.372 1.00 51.51 H new ATOM 0 HG3 LYS A 157 7.324 56.142 -7.967 1.00 51.51 H new ATOM 0 HD2 LYS A 157 8.317 58.213 -8.980 1.00 55.02 H new ATOM 0 HD3 LYS A 157 8.492 58.907 -7.381 1.00 55.02 H new ATOM 0 HE2 LYS A 157 10.013 57.008 -6.744 1.00 10.14 H new ATOM 0 HE3 LYS A 157 9.866 56.364 -8.367 1.00 10.14 H new ATOM 0 HZ1 LYS A 157 11.872 57.665 -8.119 1.00 31.21 H new ATOM 0 HZ2 LYS A 157 10.833 58.409 -9.237 1.00 31.21 H new ATOM 0 HZ3 LYS A 157 10.975 59.033 -7.664 1.00 31.21 H new ATOM 966 N TYR A 158 5.105 54.531 -7.266 1.00 10.10 N ATOM 967 CA TYR A 158 4.968 53.179 -7.842 1.00 12.33 C ATOM 968 C TYR A 158 3.500 52.697 -7.771 1.00 43.32 C ATOM 969 O TYR A 158 3.034 51.992 -8.668 1.00 2.51 O ATOM 970 CB TYR A 158 5.886 52.171 -7.102 1.00 43.24 C ATOM 971 CG TYR A 158 7.400 52.445 -7.212 1.00 33.42 C ATOM 972 CD1 TYR A 158 8.007 53.473 -6.485 1.00 30.42 C ATOM 973 CD2 TYR A 158 8.223 51.660 -8.025 1.00 72.21 C ATOM 974 CE1 TYR A 158 9.367 53.702 -6.565 1.00 22.10 C ATOM 975 CE2 TYR A 158 9.583 51.891 -8.109 1.00 21.23 C ATOM 976 CZ TYR A 158 10.151 52.911 -7.376 1.00 21.30 C ATOM 977 OH TYR A 158 11.510 53.138 -7.452 1.00 2.24 O ATOM 0 H TYR A 158 5.642 54.551 -6.399 1.00 10.10 H new ATOM 0 HA TYR A 158 5.271 53.231 -8.888 1.00 12.33 H new ATOM 0 HB2 TYR A 158 5.612 52.164 -6.047 1.00 43.24 H new ATOM 0 HB3 TYR A 158 5.686 51.172 -7.490 1.00 43.24 H new ATOM 0 HD1 TYR A 158 7.401 54.101 -5.848 1.00 30.42 H new ATOM 0 HD2 TYR A 158 7.787 50.856 -8.599 1.00 72.21 H new ATOM 0 HE1 TYR A 158 9.815 54.500 -5.992 1.00 22.10 H new ATOM 0 HE2 TYR A 158 10.199 51.274 -8.747 1.00 21.23 H new ATOM 0 HH TYR A 158 11.916 52.492 -8.067 1.00 2.24 H new ATOM 987 N GLY A 159 2.794 53.103 -6.694 1.00 51.31 N ATOM 988 CA GLY A 159 1.391 52.736 -6.475 1.00 44.10 C ATOM 989 C GLY A 159 1.209 51.256 -6.170 1.00 2.10 C ATOM 990 O GLY A 159 1.886 50.723 -5.294 1.00 33.25 O ATOM 0 H GLY A 159 3.185 53.692 -5.958 1.00 51.31 H new ATOM 0 HA2 GLY A 159 0.991 53.324 -5.649 1.00 44.10 H new ATOM 0 HA3 GLY A 159 0.810 52.994 -7.361 1.00 44.10 H new ATOM 994 N THR A 160 0.315 50.585 -6.917 1.00 0.15 N ATOM 995 CA THR A 160 0.076 49.133 -6.777 1.00 73.35 C ATOM 996 C THR A 160 1.190 48.305 -7.464 1.00 10.30 C ATOM 997 O THR A 160 1.203 47.074 -7.375 1.00 11.24 O ATOM 998 CB THR A 160 -1.333 48.751 -7.344 1.00 41.11 C ATOM 999 OG1 THR A 160 -1.471 49.251 -8.686 1.00 22.10 O ATOM 1000 CG2 THR A 160 -2.478 49.313 -6.476 1.00 71.34 C ATOM 0 H THR A 160 -0.261 51.029 -7.632 1.00 0.15 H new ATOM 0 HA THR A 160 0.098 48.892 -5.714 1.00 73.35 H new ATOM 0 HB THR A 160 -1.403 47.663 -7.335 1.00 41.11 H new ATOM 0 HG1 THR A 160 -2.353 49.008 -9.037 1.00 22.10 H new ATOM 0 HG21 THR A 160 -3.437 49.024 -6.907 1.00 71.34 H new ATOM 0 HG22 THR A 160 -2.399 48.913 -5.465 1.00 71.34 H new ATOM 0 HG23 THR A 160 -2.409 50.400 -6.442 1.00 71.34 H new ATOM 1008 N ARG A 161 2.124 48.995 -8.152 1.00 44.24 N ATOM 1009 CA ARG A 161 3.337 48.372 -8.724 1.00 51.52 C ATOM 1010 C ARG A 161 4.495 48.376 -7.702 1.00 22.50 C ATOM 1011 O ARG A 161 5.612 47.957 -8.022 1.00 61.52 O ATOM 1012 CB ARG A 161 3.749 49.105 -10.032 1.00 51.52 C ATOM 1013 CG ARG A 161 2.660 49.092 -11.128 1.00 13.51 C ATOM 1014 CD ARG A 161 3.117 49.742 -12.445 1.00 32.02 C ATOM 1015 NE ARG A 161 3.429 51.179 -12.308 1.00 43.54 N ATOM 1016 CZ ARG A 161 3.622 52.027 -13.337 1.00 4.41 C ATOM 1017 NH1 ARG A 161 3.534 51.607 -14.600 1.00 0.22 N ATOM 1018 NH2 ARG A 161 3.911 53.297 -13.093 1.00 21.14 N ATOM 0 H ARG A 161 2.059 49.998 -8.327 1.00 44.24 H new ATOM 0 HA ARG A 161 3.111 47.333 -8.965 1.00 51.52 H new ATOM 0 HB2 ARG A 161 3.998 50.139 -9.794 1.00 51.52 H new ATOM 0 HB3 ARG A 161 4.653 48.642 -10.427 1.00 51.52 H new ATOM 0 HG2 ARG A 161 2.362 48.062 -11.323 1.00 13.51 H new ATOM 0 HG3 ARG A 161 1.777 49.614 -10.760 1.00 13.51 H new ATOM 0 HD2 ARG A 161 3.999 49.219 -12.814 1.00 32.02 H new ATOM 0 HD3 ARG A 161 2.336 49.616 -13.195 1.00 32.02 H new ATOM 0 HE ARG A 161 3.504 51.558 -11.364 1.00 43.54 H new ATOM 0 HH11 ARG A 161 3.318 50.630 -14.799 1.00 0.22 H new ATOM 0 HH12 ARG A 161 3.683 52.263 -15.367 1.00 0.22 H new ATOM 0 HH21 ARG A 161 3.986 53.627 -12.131 1.00 21.14 H new ATOM 0 HH22 ARG A 161 4.058 53.944 -13.867 1.00 21.14 H new ATOM 1032 N CYS A 162 4.215 48.851 -6.471 1.00 53.11 N ATOM 1033 CA CYS A 162 5.186 48.857 -5.364 1.00 11.44 C ATOM 1034 C CYS A 162 5.244 47.475 -4.697 1.00 74.11 C ATOM 1035 O CYS A 162 4.220 46.797 -4.565 1.00 1.52 O ATOM 1036 CB CYS A 162 4.801 49.934 -4.331 1.00 22.21 C ATOM 1037 SG CYS A 162 5.964 50.138 -2.940 1.00 64.23 S ATOM 0 H CYS A 162 3.307 49.241 -6.219 1.00 53.11 H new ATOM 0 HA CYS A 162 6.173 49.089 -5.764 1.00 11.44 H new ATOM 0 HB2 CYS A 162 4.707 50.890 -4.846 1.00 22.21 H new ATOM 0 HB3 CYS A 162 3.818 49.691 -3.928 1.00 22.21 H new ATOM 0 HG CYS A 162 7.021 49.410 -3.148 1.00 64.23 H new ATOM 1042 N GLN A 163 6.451 47.077 -4.270 1.00 70.35 N ATOM 1043 CA GLN A 163 6.707 45.766 -3.629 1.00 4.13 C ATOM 1044 C GLN A 163 6.896 45.924 -2.103 1.00 61.34 C ATOM 1045 O GLN A 163 7.371 45.007 -1.431 1.00 31.12 O ATOM 1046 CB GLN A 163 7.953 45.105 -4.292 1.00 44.42 C ATOM 1047 CG GLN A 163 9.243 45.953 -4.241 1.00 60.54 C ATOM 1048 CD GLN A 163 10.465 45.283 -4.880 1.00 0.22 C ATOM 1049 OE1 GLN A 163 10.584 44.056 -4.904 1.00 3.04 O ATOM 1050 NE2 GLN A 163 11.399 46.082 -5.372 1.00 1.44 N ATOM 0 H GLN A 163 7.287 47.655 -4.357 1.00 70.35 H new ATOM 0 HA GLN A 163 5.844 45.117 -3.778 1.00 4.13 H new ATOM 0 HB2 GLN A 163 8.144 44.150 -3.802 1.00 44.42 H new ATOM 0 HB3 GLN A 163 7.719 44.887 -5.334 1.00 44.42 H new ATOM 0 HG2 GLN A 163 9.060 46.903 -4.744 1.00 60.54 H new ATOM 0 HG3 GLN A 163 9.472 46.182 -3.200 1.00 60.54 H new ATOM 0 HE21 GLN A 163 11.274 47.094 -5.339 1.00 1.44 H new ATOM 0 HE22 GLN A 163 12.244 45.686 -5.784 1.00 1.44 H new ATOM 1059 N PHE A 164 6.479 47.090 -1.569 1.00 2.43 N ATOM 1060 CA PHE A 164 6.652 47.460 -0.147 1.00 52.21 C ATOM 1061 C PHE A 164 5.303 47.878 0.477 1.00 14.43 C ATOM 1062 O PHE A 164 4.428 48.406 -0.226 1.00 63.30 O ATOM 1063 CB PHE A 164 7.659 48.624 -0.013 1.00 61.25 C ATOM 1064 CG PHE A 164 9.066 48.334 -0.531 1.00 40.44 C ATOM 1065 CD1 PHE A 164 9.948 47.531 0.193 1.00 64.40 C ATOM 1066 CD2 PHE A 164 9.511 48.878 -1.737 1.00 43.30 C ATOM 1067 CE1 PHE A 164 11.225 47.282 -0.273 1.00 3.02 C ATOM 1068 CE2 PHE A 164 10.785 48.626 -2.201 1.00 61.52 C ATOM 1069 CZ PHE A 164 11.642 47.828 -1.471 1.00 21.22 C ATOM 0 H PHE A 164 6.008 47.809 -2.117 1.00 2.43 H new ATOM 0 HA PHE A 164 7.034 46.587 0.383 1.00 52.21 H new ATOM 0 HB2 PHE A 164 7.264 49.488 -0.548 1.00 61.25 H new ATOM 0 HB3 PHE A 164 7.727 48.904 1.038 1.00 61.25 H new ATOM 0 HD1 PHE A 164 9.629 47.098 1.130 1.00 64.40 H new ATOM 0 HD2 PHE A 164 8.848 49.505 -2.315 1.00 43.30 H new ATOM 0 HE1 PHE A 164 11.897 46.660 0.300 1.00 3.02 H new ATOM 0 HE2 PHE A 164 11.112 49.054 -3.137 1.00 61.52 H new ATOM 0 HZ PHE A 164 12.639 47.630 -1.837 1.00 21.22 H new ATOM 1079 N ILE A 165 5.170 47.647 1.802 1.00 73.43 N ATOM 1080 CA ILE A 165 3.940 47.940 2.577 1.00 2.10 C ATOM 1081 C ILE A 165 3.637 49.457 2.603 1.00 25.44 C ATOM 1082 O ILE A 165 4.516 50.273 2.916 1.00 11.32 O ATOM 1083 CB ILE A 165 4.067 47.430 4.065 1.00 14.24 C ATOM 1084 CG1 ILE A 165 4.411 45.910 4.107 1.00 73.53 C ATOM 1085 CG2 ILE A 165 2.782 47.733 4.894 1.00 15.41 C ATOM 1086 CD1 ILE A 165 4.638 45.346 5.503 1.00 1.35 C ATOM 0 H ILE A 165 5.918 47.249 2.370 1.00 73.43 H new ATOM 0 HA ILE A 165 3.125 47.415 2.078 1.00 2.10 H new ATOM 0 HB ILE A 165 4.888 47.979 4.526 1.00 14.24 H new ATOM 0 HG12 ILE A 165 3.601 45.355 3.633 1.00 73.53 H new ATOM 0 HG13 ILE A 165 5.307 45.738 3.511 1.00 73.53 H new ATOM 0 HG21 ILE A 165 2.911 47.366 5.912 1.00 15.41 H new ATOM 0 HG22 ILE A 165 2.608 48.809 4.915 1.00 15.41 H new ATOM 0 HG23 ILE A 165 1.927 47.236 4.435 1.00 15.41 H new ATOM 0 HD11 ILE A 165 4.871 44.284 5.433 1.00 1.35 H new ATOM 0 HD12 ILE A 165 5.469 45.869 5.976 1.00 1.35 H new ATOM 0 HD13 ILE A 165 3.737 45.481 6.101 1.00 1.35 H new ATOM 1098 N HIS A 166 2.383 49.809 2.273 1.00 13.21 N ATOM 1099 CA HIS A 166 1.871 51.190 2.341 1.00 13.11 C ATOM 1100 C HIS A 166 0.965 51.341 3.573 1.00 22.32 C ATOM 1101 O HIS A 166 -0.221 50.982 3.531 1.00 63.20 O ATOM 1102 CB HIS A 166 1.081 51.534 1.049 1.00 13.44 C ATOM 1103 CG HIS A 166 1.896 51.563 -0.214 1.00 54.15 C ATOM 1104 ND1 HIS A 166 1.351 51.639 -1.468 1.00 44.55 N ATOM 1105 CD2 HIS A 166 3.238 51.582 -0.392 1.00 32.11 C ATOM 1106 CE1 HIS A 166 2.343 51.705 -2.346 1.00 41.51 C ATOM 1107 NE2 HIS A 166 3.526 51.675 -1.742 1.00 41.02 N ATOM 0 H HIS A 166 1.688 49.136 1.948 1.00 13.21 H new ATOM 0 HA HIS A 166 2.711 51.880 2.426 1.00 13.11 H new ATOM 0 HB2 HIS A 166 0.280 50.805 0.928 1.00 13.44 H new ATOM 0 HB3 HIS A 166 0.609 52.508 1.180 1.00 13.44 H new ATOM 0 HD2 HIS A 166 3.972 51.532 0.399 1.00 32.11 H new ATOM 0 HE1 HIS A 166 2.207 51.774 -3.415 1.00 41.51 H new ATOM 0 HE2 HIS A 166 4.447 51.712 -2.179 1.00 41.02 H new ATOM 1115 N LYS A 167 1.544 51.815 4.686 1.00 5.44 N ATOM 1116 CA LYS A 167 0.785 52.185 5.894 1.00 54.13 C ATOM 1117 C LYS A 167 0.883 53.707 6.080 1.00 30.42 C ATOM 1118 O LYS A 167 1.977 54.282 5.981 1.00 24.44 O ATOM 1119 CB LYS A 167 1.286 51.411 7.150 1.00 34.53 C ATOM 1120 CG LYS A 167 2.793 51.544 7.470 1.00 2.04 C ATOM 1121 CD LYS A 167 3.187 50.850 8.802 1.00 21.25 C ATOM 1122 CE LYS A 167 2.836 49.350 8.829 1.00 42.23 C ATOM 1123 NZ LYS A 167 3.286 48.682 10.080 1.00 64.21 N ATOM 0 H LYS A 167 2.551 51.953 4.776 1.00 5.44 H new ATOM 0 HA LYS A 167 -0.260 51.903 5.769 1.00 54.13 H new ATOM 0 HB2 LYS A 167 0.719 51.755 8.015 1.00 34.53 H new ATOM 0 HB3 LYS A 167 1.055 50.354 7.018 1.00 34.53 H new ATOM 0 HG2 LYS A 167 3.373 51.112 6.655 1.00 2.04 H new ATOM 0 HG3 LYS A 167 3.057 52.600 7.524 1.00 2.04 H new ATOM 0 HD2 LYS A 167 4.258 50.969 8.964 1.00 21.25 H new ATOM 0 HD3 LYS A 167 2.682 51.350 9.629 1.00 21.25 H new ATOM 0 HE2 LYS A 167 1.758 49.231 8.725 1.00 42.23 H new ATOM 0 HE3 LYS A 167 3.295 48.857 7.972 1.00 42.23 H new ATOM 0 HZ1 LYS A 167 3.026 47.675 10.049 1.00 64.21 H new ATOM 0 HZ2 LYS A 167 4.318 48.771 10.169 1.00 64.21 H new ATOM 0 HZ3 LYS A 167 2.828 49.132 10.898 1.00 64.21 H new