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 84:sc= -0.289 USER MOD Set 1.2: A 156 CYS SG : rot 148:sc= -1.45 USER MOD Set 1.3: A 162 CYS SG : rot -162:sc= 2.08 USER MOD Set 1.4: A 166 HIS : no HD1:sc= -0.273 K(o=0.072,f=-6.9) USER MOD Set 2.1: A 104 CYS SG : rot 129:sc= 0.603 USER MOD Set 2.2: A 113 CYS SG : rot -177:sc= 0.834 USER MOD Set 2.3: A 119 CYS SG : rot -166:sc= 0.494 USER MOD Set 2.4: A 123 HIS : no HE2:sc= -0.0167 K(o=1.9,f=-9.6) USER MOD Single : A 100 LYS NZ :NH3+ -108:sc= -0.684 (180deg=-3.38!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00877 USER MOD Single : A 107 TYR OH : rot 91:sc= 0.00343 USER MOD Single : A 108 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0757) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.614 K(o=-0.61,f=-0.065) 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= -0.014 X(o=-0.014,f=-0.014) USER MOD Single : A 126 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.27) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 82:sc= 0.617 USER MOD Single : A 152 MET CE :methyl -171:sc= -0.474 (180deg=-0.624) USER MOD Single : A 153 THR OG1 : rot -73:sc= 0.678 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= 0 USER MOD Single : A 163 GLN : amide:sc= -0.604 K(o=-0.6,f=0) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 2.912 8.873 9.405 1.00 2.04 N ATOM 37 CA PHE A 99 1.670 8.179 9.019 1.00 42.23 C ATOM 38 C PHE A 99 1.112 8.893 7.781 1.00 1.31 C ATOM 39 O PHE A 99 0.665 10.040 7.883 1.00 44.44 O ATOM 40 CB PHE A 99 0.637 8.180 10.192 1.00 42.00 C ATOM 41 CG PHE A 99 -0.427 7.075 10.105 1.00 20.20 C ATOM 42 CD1 PHE A 99 -0.276 5.878 10.810 1.00 24.24 C ATOM 43 CD2 PHE A 99 -1.569 7.228 9.319 1.00 23.12 C ATOM 44 CE1 PHE A 99 -1.229 4.880 10.731 1.00 42.24 C ATOM 45 CE2 PHE A 99 -2.522 6.227 9.241 1.00 31.51 C ATOM 46 CZ PHE A 99 -2.352 5.054 9.946 1.00 61.50 C ATOM 0 HA PHE A 99 1.873 7.133 8.790 1.00 42.23 H new ATOM 0 HB2 PHE A 99 1.176 8.075 11.134 1.00 42.00 H new ATOM 0 HB3 PHE A 99 0.136 9.148 10.218 1.00 42.00 H new ATOM 0 HD1 PHE A 99 0.599 5.730 11.426 1.00 24.24 H new ATOM 0 HD2 PHE A 99 -1.712 8.142 8.762 1.00 23.12 H new ATOM 0 HE1 PHE A 99 -1.095 3.962 11.284 1.00 42.24 H new ATOM 0 HE2 PHE A 99 -3.400 6.365 8.627 1.00 31.51 H new ATOM 0 HZ PHE A 99 -3.095 4.273 9.884 1.00 61.50 H new ATOM 56 N LYS A 100 1.201 8.219 6.610 1.00 0.42 N ATOM 57 CA LYS A 100 0.760 8.753 5.299 1.00 23.25 C ATOM 58 C LYS A 100 1.545 10.027 4.907 1.00 45.02 C ATOM 59 O LYS A 100 1.076 10.839 4.109 1.00 73.22 O ATOM 60 CB LYS A 100 -0.778 8.990 5.281 1.00 61.44 C ATOM 61 CG LYS A 100 -1.624 7.718 5.529 1.00 41.42 C ATOM 62 CD LYS A 100 -3.156 7.962 5.533 1.00 3.34 C ATOM 63 CE LYS A 100 -3.650 8.878 6.681 1.00 14.11 C ATOM 64 NZ LYS A 100 -3.385 10.322 6.433 1.00 51.34 N ATOM 0 H LYS A 100 1.586 7.277 6.548 1.00 0.42 H new ATOM 0 HA LYS A 100 0.984 8.001 4.543 1.00 23.25 H new ATOM 0 HB2 LYS A 100 -1.028 9.731 6.040 1.00 61.44 H new ATOM 0 HB3 LYS A 100 -1.057 9.415 4.317 1.00 61.44 H new ATOM 0 HG2 LYS A 100 -1.387 6.982 4.760 1.00 41.42 H new ATOM 0 HG3 LYS A 100 -1.334 7.284 6.486 1.00 41.42 H new ATOM 0 HD2 LYS A 100 -3.445 8.405 4.580 1.00 3.34 H new ATOM 0 HD3 LYS A 100 -3.666 7.001 5.605 1.00 3.34 H new ATOM 0 HE2 LYS A 100 -4.721 8.730 6.820 1.00 14.11 H new ATOM 0 HE3 LYS A 100 -3.164 8.580 7.610 1.00 14.11 H new ATOM 0 HZ1 LYS A 100 -2.623 10.648 7.061 1.00 51.34 H new ATOM 0 HZ2 LYS A 100 -3.099 10.457 5.442 1.00 51.34 H new ATOM 0 HZ3 LYS A 100 -4.248 10.871 6.622 1.00 51.34 H new ATOM 78 N THR A 101 2.755 10.159 5.470 1.00 74.10 N ATOM 79 CA THR A 101 3.714 11.222 5.125 1.00 71.32 C ATOM 80 C THR A 101 4.415 10.903 3.791 1.00 31.14 C ATOM 81 O THR A 101 4.976 11.789 3.132 1.00 32.25 O ATOM 82 CB THR A 101 4.771 11.374 6.266 1.00 15.35 C ATOM 83 OG1 THR A 101 5.347 10.086 6.554 1.00 72.22 O ATOM 84 CG2 THR A 101 4.157 11.956 7.555 1.00 20.22 C ATOM 0 H THR A 101 3.101 9.522 6.188 1.00 74.10 H new ATOM 0 HA THR A 101 3.172 12.161 5.014 1.00 71.32 H new ATOM 0 HB THR A 101 5.535 12.070 5.919 1.00 15.35 H new ATOM 0 HG1 THR A 101 6.012 10.177 7.268 1.00 72.22 H new ATOM 0 HG21 THR A 101 4.930 12.043 8.319 1.00 20.22 H new ATOM 0 HG22 THR A 101 3.740 12.941 7.347 1.00 20.22 H new ATOM 0 HG23 THR A 101 3.367 11.296 7.912 1.00 20.22 H new ATOM 92 N ALA A 102 4.367 9.615 3.423 1.00 35.14 N ATOM 93 CA ALA A 102 4.908 9.082 2.171 1.00 33.21 C ATOM 94 C ALA A 102 3.922 8.046 1.611 1.00 62.02 C ATOM 95 O ALA A 102 2.982 7.630 2.311 1.00 1.11 O ATOM 96 CB ALA A 102 6.291 8.459 2.422 1.00 44.41 C ATOM 0 H ALA A 102 3.938 8.897 4.007 1.00 35.14 H new ATOM 0 HA ALA A 102 5.033 9.882 1.441 1.00 33.21 H new ATOM 0 HB1 ALA A 102 6.688 8.064 1.486 1.00 44.41 H new ATOM 0 HB2 ALA A 102 6.968 9.220 2.811 1.00 44.41 H new ATOM 0 HB3 ALA A 102 6.200 7.650 3.147 1.00 44.41 H new ATOM 102 N LEU A 103 4.121 7.653 0.347 1.00 24.04 N ATOM 103 CA LEU A 103 3.307 6.617 -0.308 1.00 74.15 C ATOM 104 C LEU A 103 3.755 5.215 0.138 1.00 63.11 C ATOM 105 O LEU A 103 4.938 4.989 0.425 1.00 20.01 O ATOM 106 CB LEU A 103 3.394 6.749 -1.855 1.00 33.34 C ATOM 107 CG LEU A 103 2.714 8.016 -2.471 1.00 53.44 C ATOM 108 CD1 LEU A 103 2.962 8.100 -3.993 1.00 2.35 C ATOM 109 CD2 LEU A 103 1.196 8.042 -2.154 1.00 21.34 C ATOM 0 H LEU A 103 4.849 8.043 -0.251 1.00 24.04 H new ATOM 0 HA LEU A 103 2.269 6.758 -0.009 1.00 74.15 H new ATOM 0 HB2 LEU A 103 4.446 6.749 -2.142 1.00 33.34 H new ATOM 0 HB3 LEU A 103 2.942 5.864 -2.302 1.00 33.34 H new ATOM 0 HG LEU A 103 3.169 8.893 -2.011 1.00 53.44 H new ATOM 0 HD11 LEU A 103 2.477 8.991 -4.392 1.00 2.35 H new ATOM 0 HD12 LEU A 103 4.034 8.154 -4.185 1.00 2.35 H new ATOM 0 HD13 LEU A 103 2.550 7.215 -4.478 1.00 2.35 H new ATOM 0 HD21 LEU A 103 0.748 8.933 -2.594 1.00 21.34 H new ATOM 0 HD22 LEU A 103 0.722 7.154 -2.571 1.00 21.34 H new ATOM 0 HD23 LEU A 103 1.050 8.058 -1.074 1.00 21.34 H new ATOM 121 N CYS A 104 2.784 4.297 0.199 1.00 52.40 N ATOM 122 CA CYS A 104 3.003 2.874 0.481 1.00 44.11 C ATOM 123 C CYS A 104 3.861 2.246 -0.628 1.00 35.43 C ATOM 124 O CYS A 104 3.545 2.409 -1.813 1.00 31.54 O ATOM 125 CB CYS A 104 1.625 2.189 0.579 1.00 45.41 C ATOM 126 SG CYS A 104 1.626 0.374 0.718 1.00 21.32 S ATOM 0 H CYS A 104 1.802 4.528 0.050 1.00 52.40 H new ATOM 0 HA CYS A 104 3.539 2.745 1.421 1.00 44.11 H new ATOM 0 HB2 CYS A 104 1.102 2.597 1.444 1.00 45.41 H new ATOM 0 HB3 CYS A 104 1.045 2.463 -0.302 1.00 45.41 H new ATOM 0 HG CYS A 104 0.890 0.016 1.728 1.00 21.32 H new ATOM 131 N ASP A 105 4.947 1.556 -0.227 1.00 73.52 N ATOM 132 CA ASP A 105 5.950 0.993 -1.157 1.00 51.15 C ATOM 133 C ASP A 105 5.309 0.014 -2.152 1.00 43.30 C ATOM 134 O ASP A 105 5.510 0.129 -3.360 1.00 1.11 O ATOM 135 CB ASP A 105 7.088 0.293 -0.370 1.00 1.01 C ATOM 136 CG ASP A 105 8.170 -0.328 -1.281 1.00 71.20 C ATOM 137 OD1 ASP A 105 8.926 0.436 -1.920 1.00 62.20 O ATOM 138 OD2 ASP A 105 8.284 -1.579 -1.348 1.00 13.41 O ATOM 0 H ASP A 105 5.155 1.372 0.754 1.00 73.52 H new ATOM 0 HA ASP A 105 6.372 1.820 -1.728 1.00 51.15 H new ATOM 0 HB2 ASP A 105 7.557 1.016 0.298 1.00 1.01 H new ATOM 0 HB3 ASP A 105 6.659 -0.488 0.257 1.00 1.01 H new ATOM 143 N ALA A 106 4.494 -0.905 -1.625 1.00 63.21 N ATOM 144 CA ALA A 106 3.816 -1.941 -2.425 1.00 25.34 C ATOM 145 C ALA A 106 2.729 -1.337 -3.338 1.00 42.32 C ATOM 146 O ALA A 106 2.374 -1.932 -4.359 1.00 75.44 O ATOM 147 CB ALA A 106 3.230 -3.012 -1.505 1.00 44.42 C ATOM 0 H ALA A 106 4.282 -0.955 -0.628 1.00 63.21 H new ATOM 0 HA ALA A 106 4.556 -2.405 -3.077 1.00 25.34 H new ATOM 0 HB1 ALA A 106 2.731 -3.773 -2.105 1.00 44.42 H new ATOM 0 HB2 ALA A 106 4.031 -3.473 -0.927 1.00 44.42 H new ATOM 0 HB3 ALA A 106 2.510 -2.555 -0.827 1.00 44.42 H new ATOM 153 N TYR A 107 2.209 -0.156 -2.960 1.00 72.14 N ATOM 154 CA TYR A 107 1.235 0.592 -3.775 1.00 34.24 C ATOM 155 C TYR A 107 1.938 1.297 -4.956 1.00 32.11 C ATOM 156 O TYR A 107 1.427 1.296 -6.078 1.00 52.21 O ATOM 157 CB TYR A 107 0.473 1.620 -2.896 1.00 62.40 C ATOM 158 CG TYR A 107 -0.423 2.601 -3.677 1.00 22.30 C ATOM 159 CD1 TYR A 107 -1.625 2.181 -4.258 1.00 21.03 C ATOM 160 CD2 TYR A 107 -0.057 3.947 -3.844 1.00 74.13 C ATOM 161 CE1 TYR A 107 -2.422 3.058 -4.969 1.00 13.31 C ATOM 162 CE2 TYR A 107 -0.854 4.822 -4.553 1.00 53.55 C ATOM 163 CZ TYR A 107 -2.034 4.374 -5.114 1.00 60.02 C ATOM 164 OH TYR A 107 -2.836 5.249 -5.816 1.00 23.15 O ATOM 0 H TYR A 107 2.451 0.306 -2.083 1.00 72.14 H new ATOM 0 HA TYR A 107 0.513 -0.114 -4.185 1.00 34.24 H new ATOM 0 HB2 TYR A 107 -0.144 1.077 -2.180 1.00 62.40 H new ATOM 0 HB3 TYR A 107 1.199 2.193 -2.320 1.00 62.40 H new ATOM 0 HD1 TYR A 107 -1.935 1.152 -4.149 1.00 21.03 H new ATOM 0 HD2 TYR A 107 0.865 4.303 -3.409 1.00 74.13 H new ATOM 0 HE1 TYR A 107 -3.346 2.714 -5.410 1.00 13.31 H new ATOM 0 HE2 TYR A 107 -0.556 5.854 -4.669 1.00 53.55 H new ATOM 0 HH TYR A 107 -3.466 5.680 -5.201 1.00 23.15 H new ATOM 174 N LYS A 108 3.104 1.909 -4.698 1.00 45.33 N ATOM 175 CA LYS A 108 3.814 2.713 -5.714 1.00 24.24 C ATOM 176 C LYS A 108 4.560 1.816 -6.731 1.00 54.21 C ATOM 177 O LYS A 108 4.761 2.226 -7.881 1.00 71.34 O ATOM 178 CB LYS A 108 4.760 3.752 -5.030 1.00 41.41 C ATOM 179 CG LYS A 108 5.898 3.155 -4.181 1.00 41.15 C ATOM 180 CD LYS A 108 6.719 4.217 -3.405 1.00 51.43 C ATOM 181 CE LYS A 108 7.564 5.126 -4.318 1.00 12.11 C ATOM 182 NZ LYS A 108 8.619 4.362 -5.043 1.00 41.12 N ATOM 0 H LYS A 108 3.578 1.865 -3.796 1.00 45.33 H new ATOM 0 HA LYS A 108 3.074 3.273 -6.285 1.00 24.24 H new ATOM 0 HB2 LYS A 108 5.199 4.382 -5.804 1.00 41.41 H new ATOM 0 HB3 LYS A 108 4.158 4.402 -4.394 1.00 41.41 H new ATOM 0 HG2 LYS A 108 5.475 2.445 -3.470 1.00 41.15 H new ATOM 0 HG3 LYS A 108 6.569 2.594 -4.831 1.00 41.15 H new ATOM 0 HD2 LYS A 108 6.038 4.835 -2.820 1.00 51.43 H new ATOM 0 HD3 LYS A 108 7.377 3.711 -2.699 1.00 51.43 H new ATOM 0 HE2 LYS A 108 6.914 5.621 -5.040 1.00 12.11 H new ATOM 0 HE3 LYS A 108 8.030 5.909 -3.720 1.00 12.11 H new ATOM 0 HZ1 LYS A 108 9.249 5.025 -5.539 1.00 41.12 H new ATOM 0 HZ2 LYS A 108 9.172 3.802 -4.363 1.00 41.12 H new ATOM 0 HZ3 LYS A 108 8.173 3.725 -5.734 1.00 41.12 H new ATOM 196 N ARG A 109 4.965 0.594 -6.310 1.00 64.24 N ATOM 197 CA ARG A 109 5.664 -0.367 -7.202 1.00 1.40 C ATOM 198 C ARG A 109 4.677 -1.350 -7.884 1.00 74.55 C ATOM 199 O ARG A 109 4.743 -1.556 -9.099 1.00 5.02 O ATOM 200 CB ARG A 109 6.787 -1.137 -6.432 1.00 24.35 C ATOM 201 CG ARG A 109 6.313 -2.117 -5.336 1.00 23.53 C ATOM 202 CD ARG A 109 7.469 -2.713 -4.518 1.00 73.32 C ATOM 203 NE ARG A 109 8.360 -3.567 -5.323 1.00 11.33 N ATOM 204 CZ ARG A 109 9.409 -4.253 -4.838 1.00 62.15 C ATOM 205 NH1 ARG A 109 9.725 -4.203 -3.541 1.00 23.32 N ATOM 206 NH2 ARG A 109 10.141 -4.985 -5.661 1.00 4.41 N ATOM 0 H ARG A 109 4.821 0.249 -5.361 1.00 64.24 H new ATOM 0 HA ARG A 109 6.136 0.214 -7.994 1.00 1.40 H new ATOM 0 HB2 ARG A 109 7.379 -1.695 -7.157 1.00 24.35 H new ATOM 0 HB3 ARG A 109 7.452 -0.405 -5.973 1.00 24.35 H new ATOM 0 HG2 ARG A 109 5.630 -1.598 -4.664 1.00 23.53 H new ATOM 0 HG3 ARG A 109 5.749 -2.926 -5.800 1.00 23.53 H new ATOM 0 HD2 ARG A 109 8.051 -1.903 -4.077 1.00 73.32 H new ATOM 0 HD3 ARG A 109 7.061 -3.298 -3.694 1.00 73.32 H new ATOM 0 HE ARG A 109 8.166 -3.643 -6.322 1.00 11.33 H new ATOM 0 HH11 ARG A 109 9.167 -3.638 -2.901 1.00 23.32 H new ATOM 0 HH12 ARG A 109 10.525 -4.730 -3.190 1.00 23.32 H new ATOM 0 HH21 ARG A 109 9.907 -5.025 -6.653 1.00 4.41 H new ATOM 0 HH22 ARG A 109 10.939 -5.510 -5.304 1.00 4.41 H new ATOM 220 N SER A 110 3.760 -1.949 -7.094 1.00 54.52 N ATOM 221 CA SER A 110 2.926 -3.095 -7.540 1.00 21.21 C ATOM 222 C SER A 110 1.431 -2.729 -7.631 1.00 42.23 C ATOM 223 O SER A 110 0.661 -3.439 -8.293 1.00 65.13 O ATOM 224 CB SER A 110 3.133 -4.280 -6.558 1.00 25.12 C ATOM 225 OG SER A 110 2.465 -5.457 -6.993 1.00 25.22 O ATOM 0 H SER A 110 3.575 -1.657 -6.134 1.00 54.52 H new ATOM 0 HA SER A 110 3.242 -3.377 -8.544 1.00 21.21 H new ATOM 0 HB2 SER A 110 4.199 -4.485 -6.457 1.00 25.12 H new ATOM 0 HB3 SER A 110 2.767 -4.000 -5.570 1.00 25.12 H new ATOM 0 HG SER A 110 2.621 -6.179 -6.349 1.00 25.22 H new ATOM 231 N GLN A 111 1.037 -1.612 -6.968 1.00 51.41 N ATOM 232 CA GLN A 111 -0.385 -1.206 -6.780 1.00 51.22 C ATOM 233 C GLN A 111 -1.176 -2.298 -6.019 1.00 2.41 C ATOM 234 O GLN A 111 -2.400 -2.409 -6.154 1.00 70.35 O ATOM 235 CB GLN A 111 -1.078 -0.812 -8.133 1.00 63.41 C ATOM 236 CG GLN A 111 -0.583 0.518 -8.766 1.00 51.13 C ATOM 237 CD GLN A 111 0.841 0.483 -9.348 1.00 23.24 C ATOM 238 OE1 GLN A 111 1.568 1.474 -9.290 1.00 61.51 O ATOM 239 NE2 GLN A 111 1.227 -0.623 -9.972 1.00 54.42 N ATOM 0 H GLN A 111 1.699 -0.962 -6.545 1.00 51.41 H new ATOM 0 HA GLN A 111 -0.387 -0.306 -6.165 1.00 51.22 H new ATOM 0 HB2 GLN A 111 -0.922 -1.618 -8.851 1.00 63.41 H new ATOM 0 HB3 GLN A 111 -2.152 -0.738 -7.965 1.00 63.41 H new ATOM 0 HG2 GLN A 111 -1.274 0.802 -9.559 1.00 51.13 H new ATOM 0 HG3 GLN A 111 -0.628 1.300 -8.008 1.00 51.13 H new ATOM 0 HE21 GLN A 111 0.607 -1.432 -10.007 1.00 54.42 H new ATOM 0 HE22 GLN A 111 2.144 -0.664 -10.417 1.00 54.42 H new ATOM 248 N ALA A 112 -0.452 -3.053 -5.170 1.00 32.41 N ATOM 249 CA ALA A 112 -0.993 -4.193 -4.418 1.00 40.12 C ATOM 250 C ALA A 112 -0.385 -4.210 -3.006 1.00 50.33 C ATOM 251 O ALA A 112 0.770 -4.605 -2.827 1.00 31.33 O ATOM 252 CB ALA A 112 -0.704 -5.507 -5.168 1.00 65.13 C ATOM 0 H ALA A 112 0.537 -2.883 -4.988 1.00 32.41 H new ATOM 0 HA ALA A 112 -2.075 -4.093 -4.327 1.00 40.12 H new ATOM 0 HB1 ALA A 112 -1.109 -6.346 -4.602 1.00 65.13 H new ATOM 0 HB2 ALA A 112 -1.171 -5.474 -6.152 1.00 65.13 H new ATOM 0 HB3 ALA A 112 0.373 -5.632 -5.281 1.00 65.13 H new ATOM 258 N CYS A 113 -1.168 -3.742 -2.022 1.00 74.03 N ATOM 259 CA CYS A 113 -0.765 -3.654 -0.609 1.00 31.31 C ATOM 260 C CYS A 113 -1.604 -4.633 0.233 1.00 4.24 C ATOM 261 O CYS A 113 -2.841 -4.603 0.178 1.00 43.14 O ATOM 262 CB CYS A 113 -0.954 -2.202 -0.129 1.00 71.42 C ATOM 263 SG CYS A 113 -0.661 -1.902 1.648 1.00 71.23 S ATOM 0 H CYS A 113 -2.117 -3.408 -2.189 1.00 74.03 H new ATOM 0 HA CYS A 113 0.284 -3.929 -0.496 1.00 31.31 H new ATOM 0 HB2 CYS A 113 -0.283 -1.561 -0.701 1.00 71.42 H new ATOM 0 HB3 CYS A 113 -1.971 -1.891 -0.367 1.00 71.42 H new ATOM 0 HG CYS A 113 -0.906 -0.655 1.924 1.00 71.23 H new ATOM 268 N SER A 114 -0.916 -5.489 1.011 1.00 54.32 N ATOM 269 CA SER A 114 -1.539 -6.564 1.808 1.00 34.32 C ATOM 270 C SER A 114 -2.367 -6.002 2.981 1.00 54.34 C ATOM 271 O SER A 114 -3.400 -6.576 3.350 1.00 62.31 O ATOM 272 CB SER A 114 -0.444 -7.531 2.320 1.00 15.11 C ATOM 273 OG SER A 114 -1.000 -8.637 3.013 1.00 23.31 O ATOM 0 H SER A 114 0.099 -5.454 1.105 1.00 54.32 H new ATOM 0 HA SER A 114 -2.230 -7.110 1.165 1.00 34.32 H new ATOM 0 HB2 SER A 114 0.147 -7.890 1.477 1.00 15.11 H new ATOM 0 HB3 SER A 114 0.236 -6.993 2.980 1.00 15.11 H new ATOM 0 HG SER A 114 -0.280 -9.226 3.320 1.00 23.31 H new ATOM 279 N TYR A 115 -1.905 -4.876 3.557 1.00 63.40 N ATOM 280 CA TYR A 115 -2.602 -4.200 4.670 1.00 14.33 C ATOM 281 C TYR A 115 -3.855 -3.459 4.166 1.00 63.14 C ATOM 282 O TYR A 115 -4.889 -3.450 4.848 1.00 53.32 O ATOM 283 CB TYR A 115 -1.644 -3.220 5.394 1.00 64.12 C ATOM 284 CG TYR A 115 -0.467 -3.891 6.128 1.00 40.54 C ATOM 285 CD1 TYR A 115 0.827 -3.362 6.073 1.00 51.13 C ATOM 286 CD2 TYR A 115 -0.659 -5.049 6.889 1.00 33.11 C ATOM 287 CE1 TYR A 115 1.875 -3.958 6.752 1.00 14.41 C ATOM 288 CE2 TYR A 115 0.386 -5.648 7.563 1.00 62.54 C ATOM 289 CZ TYR A 115 1.649 -5.101 7.495 1.00 63.35 C ATOM 290 OH TYR A 115 2.689 -5.697 8.179 1.00 20.24 O ATOM 0 H TYR A 115 -1.044 -4.411 3.267 1.00 63.40 H new ATOM 0 HA TYR A 115 -2.923 -4.961 5.382 1.00 14.33 H new ATOM 0 HB2 TYR A 115 -1.245 -2.517 4.663 1.00 64.12 H new ATOM 0 HB3 TYR A 115 -2.219 -2.638 6.114 1.00 64.12 H new ATOM 0 HD1 TYR A 115 1.011 -2.472 5.490 1.00 51.13 H new ATOM 0 HD2 TYR A 115 -1.646 -5.484 6.950 1.00 33.11 H new ATOM 0 HE1 TYR A 115 2.866 -3.531 6.701 1.00 14.41 H new ATOM 0 HE2 TYR A 115 0.214 -6.543 8.142 1.00 62.54 H new ATOM 0 HH TYR A 115 2.358 -6.490 8.651 1.00 20.24 H new ATOM 300 N GLY A 116 -3.743 -2.850 2.970 1.00 74.41 N ATOM 301 CA GLY A 116 -4.854 -2.129 2.340 1.00 50.54 C ATOM 302 C GLY A 116 -5.309 -0.910 3.146 1.00 52.41 C ATOM 303 O GLY A 116 -4.632 0.121 3.152 1.00 13.13 O ATOM 0 H GLY A 116 -2.884 -2.846 2.420 1.00 74.41 H new ATOM 0 HA2 GLY A 116 -4.552 -1.807 1.343 1.00 50.54 H new ATOM 0 HA3 GLY A 116 -5.696 -2.809 2.214 1.00 50.54 H new ATOM 307 N ASP A 117 -6.443 -1.052 3.857 1.00 2.13 N ATOM 308 CA ASP A 117 -7.011 0.015 4.716 1.00 5.04 C ATOM 309 C ASP A 117 -6.150 0.224 5.976 1.00 61.31 C ATOM 310 O ASP A 117 -6.058 1.337 6.505 1.00 14.22 O ATOM 311 CB ASP A 117 -8.471 -0.337 5.121 1.00 72.31 C ATOM 312 CG ASP A 117 -9.427 -0.415 3.919 1.00 44.15 C ATOM 313 OD1 ASP A 117 -10.168 0.559 3.657 1.00 33.34 O ATOM 314 OD2 ASP A 117 -9.436 -1.452 3.220 1.00 55.21 O ATOM 0 H ASP A 117 -6.995 -1.909 3.855 1.00 2.13 H new ATOM 0 HA ASP A 117 -7.015 0.943 4.144 1.00 5.04 H new ATOM 0 HB2 ASP A 117 -8.476 -1.293 5.645 1.00 72.31 H new ATOM 0 HB3 ASP A 117 -8.838 0.413 5.822 1.00 72.31 H new ATOM 319 N GLN A 118 -5.495 -0.864 6.423 1.00 62.35 N ATOM 320 CA GLN A 118 -4.666 -0.885 7.649 1.00 5.35 C ATOM 321 C GLN A 118 -3.202 -0.469 7.365 1.00 55.42 C ATOM 322 O GLN A 118 -2.327 -0.629 8.228 1.00 3.45 O ATOM 323 CB GLN A 118 -4.729 -2.306 8.271 1.00 4.43 C ATOM 324 CG GLN A 118 -6.152 -2.782 8.642 1.00 41.13 C ATOM 325 CD GLN A 118 -6.837 -1.887 9.680 1.00 12.42 C ATOM 326 OE1 GLN A 118 -7.531 -0.927 9.337 1.00 11.21 O ATOM 327 NE2 GLN A 118 -6.644 -2.191 10.956 1.00 74.40 N ATOM 0 H GLN A 118 -5.525 -1.762 5.941 1.00 62.35 H new ATOM 0 HA GLN A 118 -5.064 -0.155 8.354 1.00 5.35 H new ATOM 0 HB2 GLN A 118 -4.294 -3.016 7.568 1.00 4.43 H new ATOM 0 HB3 GLN A 118 -4.109 -2.324 9.167 1.00 4.43 H new ATOM 0 HG2 GLN A 118 -6.764 -2.815 7.740 1.00 41.13 H new ATOM 0 HG3 GLN A 118 -6.098 -3.800 9.028 1.00 41.13 H new ATOM 0 HE21 GLN A 118 -6.064 -2.992 11.207 1.00 74.40 H new ATOM 0 HE22 GLN A 118 -7.075 -1.624 11.686 1.00 74.40 H new ATOM 336 N CYS A 119 -2.955 0.072 6.159 1.00 73.33 N ATOM 337 CA CYS A 119 -1.625 0.527 5.725 1.00 32.55 C ATOM 338 C CYS A 119 -1.295 1.893 6.365 1.00 55.34 C ATOM 339 O CYS A 119 -2.101 2.828 6.275 1.00 20.33 O ATOM 340 CB CYS A 119 -1.602 0.610 4.182 1.00 5.23 C ATOM 341 SG CYS A 119 0.029 0.929 3.445 1.00 55.21 S ATOM 0 H CYS A 119 -3.679 0.206 5.454 1.00 73.33 H new ATOM 0 HA CYS A 119 -0.864 -0.182 6.051 1.00 32.55 H new ATOM 0 HB2 CYS A 119 -1.988 -0.326 3.779 1.00 5.23 H new ATOM 0 HB3 CYS A 119 -2.285 1.399 3.867 1.00 5.23 H new ATOM 0 HG CYS A 119 -0.116 1.260 2.196 1.00 55.21 H new ATOM 346 N ARG A 120 -0.116 1.990 7.023 1.00 34.24 N ATOM 347 CA ARG A 120 0.316 3.219 7.734 1.00 25.31 C ATOM 348 C ARG A 120 0.657 4.354 6.753 1.00 45.43 C ATOM 349 O ARG A 120 0.573 5.528 7.113 1.00 71.21 O ATOM 350 CB ARG A 120 1.525 2.940 8.680 1.00 41.43 C ATOM 351 CG ARG A 120 2.788 2.400 7.978 1.00 12.50 C ATOM 352 CD ARG A 120 3.992 2.238 8.922 1.00 21.11 C ATOM 353 NE ARG A 120 4.507 3.541 9.403 1.00 22.13 N ATOM 354 CZ ARG A 120 5.806 3.841 9.597 1.00 23.55 C ATOM 355 NH1 ARG A 120 6.762 2.952 9.357 1.00 25.42 N ATOM 356 NH2 ARG A 120 6.142 5.044 10.019 1.00 70.13 N ATOM 0 H ARG A 120 0.558 1.226 7.077 1.00 34.24 H new ATOM 0 HA ARG A 120 -0.528 3.541 8.344 1.00 25.31 H new ATOM 0 HB2 ARG A 120 1.782 3.863 9.199 1.00 41.43 H new ATOM 0 HB3 ARG A 120 1.215 2.223 9.440 1.00 41.43 H new ATOM 0 HG2 ARG A 120 2.558 1.435 7.526 1.00 12.50 H new ATOM 0 HG3 ARG A 120 3.060 3.075 7.167 1.00 12.50 H new ATOM 0 HD2 ARG A 120 3.702 1.627 9.776 1.00 21.11 H new ATOM 0 HD3 ARG A 120 4.788 1.704 8.404 1.00 21.11 H new ATOM 0 HE ARG A 120 3.823 4.270 9.604 1.00 22.13 H new ATOM 0 HH11 ARG A 120 6.519 2.021 9.019 1.00 25.42 H new ATOM 0 HH12 ARG A 120 7.739 3.200 9.511 1.00 25.42 H new ATOM 0 HH21 ARG A 120 5.420 5.742 10.197 1.00 70.13 H new ATOM 0 HH22 ARG A 120 7.124 5.277 10.168 1.00 70.13 H new ATOM 370 N PHE A 121 1.051 3.994 5.516 1.00 71.43 N ATOM 371 CA PHE A 121 1.393 4.967 4.458 1.00 45.41 C ATOM 372 C PHE A 121 0.278 5.064 3.400 1.00 33.22 C ATOM 373 O PHE A 121 -0.558 4.162 3.260 1.00 10.11 O ATOM 374 CB PHE A 121 2.765 4.631 3.820 1.00 51.03 C ATOM 375 CG PHE A 121 3.960 4.945 4.728 1.00 74.00 C ATOM 376 CD1 PHE A 121 4.177 6.250 5.183 1.00 32.33 C ATOM 377 CD2 PHE A 121 4.861 3.953 5.122 1.00 20.01 C ATOM 378 CE1 PHE A 121 5.248 6.548 6.001 1.00 33.11 C ATOM 379 CE2 PHE A 121 5.935 4.255 5.940 1.00 42.35 C ATOM 380 CZ PHE A 121 6.127 5.552 6.379 1.00 11.53 C ATOM 0 H PHE A 121 1.141 3.022 5.221 1.00 71.43 H new ATOM 0 HA PHE A 121 1.478 5.950 4.921 1.00 45.41 H new ATOM 0 HB2 PHE A 121 2.786 3.573 3.560 1.00 51.03 H new ATOM 0 HB3 PHE A 121 2.870 5.190 2.890 1.00 51.03 H new ATOM 0 HD1 PHE A 121 3.497 7.036 4.890 1.00 32.33 H new ATOM 0 HD2 PHE A 121 4.717 2.937 4.784 1.00 20.01 H new ATOM 0 HE1 PHE A 121 5.399 7.560 6.346 1.00 33.11 H new ATOM 0 HE2 PHE A 121 6.624 3.477 6.236 1.00 42.35 H new ATOM 0 HZ PHE A 121 6.965 5.787 7.018 1.00 11.53 H new ATOM 390 N ALA A 122 0.309 6.186 2.662 1.00 13.12 N ATOM 391 CA ALA A 122 -0.786 6.645 1.794 1.00 70.41 C ATOM 392 C ALA A 122 -0.954 5.795 0.521 1.00 62.50 C ATOM 393 O ALA A 122 0.026 5.391 -0.109 1.00 71.22 O ATOM 394 CB ALA A 122 -0.542 8.116 1.422 1.00 4.40 C ATOM 0 H ALA A 122 1.114 6.812 2.653 1.00 13.12 H new ATOM 0 HA ALA A 122 -1.715 6.536 2.354 1.00 70.41 H new ATOM 0 HB1 ALA A 122 -1.348 8.467 0.778 1.00 4.40 H new ATOM 0 HB2 ALA A 122 -0.512 8.720 2.329 1.00 4.40 H new ATOM 0 HB3 ALA A 122 0.408 8.205 0.895 1.00 4.40 H new ATOM 400 N HIS A 123 -2.221 5.537 0.157 1.00 62.55 N ATOM 401 CA HIS A 123 -2.608 4.905 -1.119 1.00 74.05 C ATOM 402 C HIS A 123 -3.210 5.958 -2.066 1.00 43.23 C ATOM 403 O HIS A 123 -4.062 5.643 -2.906 1.00 11.33 O ATOM 404 CB HIS A 123 -3.613 3.744 -0.867 1.00 44.25 C ATOM 405 CG HIS A 123 -3.033 2.534 -0.191 1.00 72.02 C ATOM 406 ND1 HIS A 123 -3.735 1.374 0.002 1.00 40.25 N ATOM 407 CD2 HIS A 123 -1.788 2.296 0.298 1.00 55.34 C ATOM 408 CE1 HIS A 123 -2.928 0.494 0.581 1.00 31.23 C ATOM 409 NE2 HIS A 123 -1.719 0.998 0.788 1.00 34.35 N ATOM 0 H HIS A 123 -3.019 5.765 0.749 1.00 62.55 H new ATOM 0 HA HIS A 123 -1.720 4.485 -1.591 1.00 74.05 H new ATOM 0 HB2 HIS A 123 -4.435 4.121 -0.259 1.00 44.25 H new ATOM 0 HB3 HIS A 123 -4.038 3.438 -1.823 1.00 44.25 H new ATOM 0 HD1 HIS A 123 -4.709 1.214 -0.255 1.00 40.25 H new ATOM 0 HD2 HIS A 123 -0.976 3.008 0.305 1.00 55.34 H new ATOM 0 HE1 HIS A 123 -3.220 -0.510 0.851 1.00 31.23 H new ATOM 417 N GLY A 124 -2.737 7.207 -1.937 1.00 13.24 N ATOM 418 CA GLY A 124 -3.166 8.293 -2.810 1.00 32.14 C ATOM 419 C GLY A 124 -2.629 9.643 -2.371 1.00 65.40 C ATOM 420 O GLY A 124 -2.193 9.808 -1.220 1.00 33.03 O ATOM 0 H GLY A 124 -2.055 7.483 -1.231 1.00 13.24 H new ATOM 0 HA2 GLY A 124 -2.835 8.088 -3.828 1.00 32.14 H new ATOM 0 HA3 GLY A 124 -4.255 8.329 -2.830 1.00 32.14 H new ATOM 424 N VAL A 125 -2.682 10.612 -3.298 1.00 64.15 N ATOM 425 CA VAL A 125 -2.242 12.002 -3.063 1.00 25.21 C ATOM 426 C VAL A 125 -3.148 12.712 -2.022 1.00 44.13 C ATOM 427 O VAL A 125 -2.702 13.612 -1.298 1.00 52.31 O ATOM 428 CB VAL A 125 -2.204 12.801 -4.427 1.00 11.41 C ATOM 429 CG1 VAL A 125 -3.607 12.889 -5.083 1.00 73.11 C ATOM 430 CG2 VAL A 125 -1.567 14.206 -4.260 1.00 72.33 C ATOM 0 H VAL A 125 -3.034 10.454 -4.242 1.00 64.15 H new ATOM 0 HA VAL A 125 -1.233 11.977 -2.650 1.00 25.21 H new ATOM 0 HB VAL A 125 -1.563 12.236 -5.104 1.00 11.41 H new ATOM 0 HG11 VAL A 125 -3.537 13.446 -6.018 1.00 73.11 H new ATOM 0 HG12 VAL A 125 -3.978 11.884 -5.286 1.00 73.11 H new ATOM 0 HG13 VAL A 125 -4.293 13.399 -4.407 1.00 73.11 H new ATOM 0 HG21 VAL A 125 -1.561 14.720 -5.221 1.00 72.33 H new ATOM 0 HG22 VAL A 125 -2.148 14.786 -3.542 1.00 72.33 H new ATOM 0 HG23 VAL A 125 -0.544 14.101 -3.899 1.00 72.33 H new ATOM 440 N HIS A 126 -4.413 12.250 -1.938 1.00 2.21 N ATOM 441 CA HIS A 126 -5.438 12.813 -1.037 1.00 13.41 C ATOM 442 C HIS A 126 -5.176 12.397 0.426 1.00 72.30 C ATOM 443 O HIS A 126 -5.578 13.097 1.357 1.00 62.12 O ATOM 444 CB HIS A 126 -6.848 12.340 -1.479 1.00 32.12 C ATOM 445 CG HIS A 126 -7.100 12.462 -2.961 1.00 30.44 C ATOM 446 ND1 HIS A 126 -6.914 11.388 -3.802 1.00 13.13 N ATOM 447 CD2 HIS A 126 -7.504 13.529 -3.695 1.00 3.43 C ATOM 448 CE1 HIS A 126 -7.205 11.821 -5.013 1.00 73.15 C ATOM 449 NE2 HIS A 126 -7.567 13.111 -5.000 1.00 71.54 N ATOM 0 H HIS A 126 -4.754 11.469 -2.499 1.00 2.21 H new ATOM 0 HA HIS A 126 -5.387 13.900 -1.097 1.00 13.41 H new ATOM 0 HB2 HIS A 126 -6.980 11.299 -1.183 1.00 32.12 H new ATOM 0 HB3 HIS A 126 -7.599 12.921 -0.944 1.00 32.12 H new ATOM 0 HD2 HIS A 126 -7.732 14.517 -3.323 1.00 3.43 H new ATOM 0 HE1 HIS A 126 -7.158 11.212 -5.904 1.00 73.15 H new ATOM 0 HE2 HIS A 126 -7.838 13.674 -5.806 1.00 71.54 H new ATOM 457 N GLU A 127 -4.510 11.239 0.602 1.00 61.25 N ATOM 458 CA GLU A 127 -4.155 10.690 1.928 1.00 34.52 C ATOM 459 C GLU A 127 -2.851 11.303 2.472 1.00 44.24 C ATOM 460 O GLU A 127 -2.590 11.230 3.681 1.00 23.11 O ATOM 461 CB GLU A 127 -4.008 9.151 1.843 1.00 31.24 C ATOM 462 CG GLU A 127 -5.314 8.389 1.563 1.00 73.32 C ATOM 463 CD GLU A 127 -5.113 6.871 1.421 1.00 31.01 C ATOM 464 OE1 GLU A 127 -5.609 6.277 0.444 1.00 22.45 O ATOM 465 OE2 GLU A 127 -4.438 6.268 2.284 1.00 21.45 O ATOM 0 H GLU A 127 -4.201 10.654 -0.175 1.00 61.25 H new ATOM 0 HA GLU A 127 -4.961 10.948 2.615 1.00 34.52 H new ATOM 0 HB2 GLU A 127 -3.290 8.912 1.058 1.00 31.24 H new ATOM 0 HB3 GLU A 127 -3.587 8.789 2.781 1.00 31.24 H new ATOM 0 HG2 GLU A 127 -6.019 8.581 2.371 1.00 73.32 H new ATOM 0 HG3 GLU A 127 -5.764 8.776 0.649 1.00 73.32 H new ATOM 472 N LEU A 128 -2.035 11.883 1.570 1.00 24.45 N ATOM 473 CA LEU A 128 -0.718 12.447 1.915 1.00 75.00 C ATOM 474 C LEU A 128 -0.837 13.680 2.836 1.00 24.34 C ATOM 475 O LEU A 128 -1.439 14.693 2.464 1.00 73.34 O ATOM 476 CB LEU A 128 0.083 12.811 0.628 1.00 12.25 C ATOM 477 CG LEU A 128 0.708 11.612 -0.153 1.00 34.44 C ATOM 478 CD1 LEU A 128 1.341 12.071 -1.482 1.00 55.41 C ATOM 479 CD2 LEU A 128 1.745 10.868 0.720 1.00 35.23 C ATOM 0 H LEU A 128 -2.272 11.973 0.582 1.00 24.45 H new ATOM 0 HA LEU A 128 -0.176 11.677 2.464 1.00 75.00 H new ATOM 0 HB2 LEU A 128 -0.580 13.352 -0.047 1.00 12.25 H new ATOM 0 HB3 LEU A 128 0.885 13.496 0.905 1.00 12.25 H new ATOM 0 HG LEU A 128 -0.099 10.920 -0.393 1.00 34.44 H new ATOM 0 HD11 LEU A 128 1.766 11.211 -1.999 1.00 55.41 H new ATOM 0 HD12 LEU A 128 0.577 12.530 -2.109 1.00 55.41 H new ATOM 0 HD13 LEU A 128 2.128 12.797 -1.279 1.00 55.41 H new ATOM 0 HD21 LEU A 128 2.167 10.037 0.155 1.00 35.23 H new ATOM 0 HD22 LEU A 128 2.542 11.555 1.004 1.00 35.23 H new ATOM 0 HD23 LEU A 128 1.258 10.486 1.618 1.00 35.23 H new ATOM 491 N ARG A 129 -0.309 13.539 4.064 1.00 34.23 N ATOM 492 CA ARG A 129 0.004 14.661 4.961 1.00 23.40 C ATOM 493 C ARG A 129 1.525 14.698 5.096 1.00 32.34 C ATOM 494 O ARG A 129 2.088 13.908 5.857 1.00 64.11 O ATOM 495 CB ARG A 129 -0.660 14.521 6.373 1.00 0.42 C ATOM 496 CG ARG A 129 -2.185 14.770 6.426 1.00 34.35 C ATOM 497 CD ARG A 129 -3.009 13.645 5.789 1.00 11.50 C ATOM 498 NE ARG A 129 -4.432 14.002 5.652 1.00 25.10 N ATOM 499 CZ ARG A 129 -5.021 14.386 4.510 1.00 22.54 C ATOM 500 NH1 ARG A 129 -4.320 14.481 3.384 1.00 50.24 N ATOM 501 NH2 ARG A 129 -6.316 14.659 4.502 1.00 52.35 N ATOM 0 H ARG A 129 -0.085 12.629 4.466 1.00 34.23 H new ATOM 0 HA ARG A 129 -0.396 15.583 4.539 1.00 23.40 H new ATOM 0 HB2 ARG A 129 -0.461 13.518 6.749 1.00 0.42 H new ATOM 0 HB3 ARG A 129 -0.173 15.219 7.054 1.00 0.42 H new ATOM 0 HG2 ARG A 129 -2.490 14.890 7.466 1.00 34.35 H new ATOM 0 HG3 ARG A 129 -2.410 15.708 5.918 1.00 34.35 H new ATOM 0 HD2 ARG A 129 -2.600 13.410 4.807 1.00 11.50 H new ATOM 0 HD3 ARG A 129 -2.920 12.744 6.396 1.00 11.50 H new ATOM 0 HE ARG A 129 -5.013 13.953 6.489 1.00 25.10 H new ATOM 0 HH11 ARG A 129 -3.324 14.261 3.383 1.00 50.24 H new ATOM 0 HH12 ARG A 129 -4.778 14.774 2.521 1.00 50.24 H new ATOM 0 HH21 ARG A 129 -6.860 14.577 5.361 1.00 52.35 H new ATOM 0 HH22 ARG A 129 -6.770 14.952 3.637 1.00 52.35 H new ATOM 772 N VAL A 145 23.351 34.580 19.641 1.00 32.23 N ATOM 773 CA VAL A 145 23.653 35.954 20.092 1.00 1.40 C ATOM 774 C VAL A 145 25.045 36.386 19.574 1.00 11.14 C ATOM 775 O VAL A 145 25.942 35.549 19.439 1.00 23.41 O ATOM 776 CB VAL A 145 23.584 36.045 21.666 1.00 70.52 C ATOM 777 CG1 VAL A 145 23.899 37.470 22.193 1.00 22.30 C ATOM 778 CG2 VAL A 145 22.207 35.555 22.181 1.00 4.24 C ATOM 0 HA VAL A 145 22.906 36.634 19.683 1.00 1.40 H new ATOM 0 HB VAL A 145 24.359 35.387 22.059 1.00 70.52 H new ATOM 0 HG11 VAL A 145 23.838 37.477 23.281 1.00 22.30 H new ATOM 0 HG12 VAL A 145 24.904 37.758 21.884 1.00 22.30 H new ATOM 0 HG13 VAL A 145 23.177 38.177 21.784 1.00 22.30 H new ATOM 0 HG21 VAL A 145 22.179 35.625 23.268 1.00 4.24 H new ATOM 0 HG22 VAL A 145 21.418 36.176 21.757 1.00 4.24 H new ATOM 0 HG23 VAL A 145 22.054 34.518 21.881 1.00 4.24 H new ATOM 788 N LEU A 146 25.197 37.694 19.273 1.00 34.32 N ATOM 789 CA LEU A 146 26.459 38.281 18.767 1.00 3.42 C ATOM 790 C LEU A 146 27.527 38.357 19.882 1.00 14.42 C ATOM 791 O LEU A 146 27.197 38.320 21.076 1.00 43.54 O ATOM 792 CB LEU A 146 26.195 39.696 18.187 1.00 3.42 C ATOM 793 CG LEU A 146 25.079 39.804 17.097 1.00 20.33 C ATOM 794 CD1 LEU A 146 24.925 41.256 16.597 1.00 44.22 C ATOM 795 CD2 LEU A 146 25.325 38.825 15.926 1.00 43.44 C ATOM 0 H LEU A 146 24.445 38.376 19.374 1.00 34.32 H new ATOM 0 HA LEU A 146 26.839 37.634 17.977 1.00 3.42 H new ATOM 0 HB2 LEU A 146 25.933 40.359 19.011 1.00 3.42 H new ATOM 0 HB3 LEU A 146 27.126 40.070 17.761 1.00 3.42 H new ATOM 0 HG LEU A 146 24.138 39.514 17.565 1.00 20.33 H new ATOM 0 HD11 LEU A 146 24.142 41.299 15.840 1.00 44.22 H new ATOM 0 HD12 LEU A 146 24.658 41.902 17.433 1.00 44.22 H new ATOM 0 HD13 LEU A 146 25.867 41.594 16.164 1.00 44.22 H new ATOM 0 HD21 LEU A 146 24.528 38.931 15.190 1.00 43.44 H new ATOM 0 HD22 LEU A 146 26.283 39.051 15.458 1.00 43.44 H new ATOM 0 HD23 LEU A 146 25.337 37.802 16.303 1.00 43.44 H new ATOM 807 N CYS A 147 28.805 38.469 19.479 1.00 61.21 N ATOM 808 CA CYS A 147 29.950 38.519 20.408 1.00 3.11 C ATOM 809 C CYS A 147 30.237 39.974 20.807 1.00 21.54 C ATOM 810 O CYS A 147 30.635 40.789 19.964 1.00 62.04 O ATOM 811 CB CYS A 147 31.180 37.880 19.729 1.00 65.52 C ATOM 812 SG CYS A 147 32.644 37.646 20.794 1.00 14.51 S ATOM 0 H CYS A 147 29.075 38.528 18.497 1.00 61.21 H new ATOM 0 HA CYS A 147 29.718 37.960 21.314 1.00 3.11 H new ATOM 0 HB2 CYS A 147 30.887 36.910 19.328 1.00 65.52 H new ATOM 0 HB3 CYS A 147 31.467 38.502 18.881 1.00 65.52 H new ATOM 0 HG CYS A 147 32.522 36.537 21.462 1.00 14.51 H new ATOM 817 N ASP A 148 30.042 40.281 22.097 1.00 63.33 N ATOM 818 CA ASP A 148 30.214 41.639 22.641 1.00 0.51 C ATOM 819 C ASP A 148 31.709 41.979 22.777 1.00 54.54 C ATOM 820 O ASP A 148 32.139 43.065 22.380 1.00 24.01 O ATOM 821 CB ASP A 148 29.479 41.744 24.001 1.00 74.15 C ATOM 822 CG ASP A 148 29.567 43.135 24.655 1.00 73.54 C ATOM 823 OD1 ASP A 148 28.955 44.089 24.126 1.00 64.52 O ATOM 824 OD2 ASP A 148 30.221 43.276 25.713 1.00 51.14 O ATOM 0 H ASP A 148 29.760 39.594 22.796 1.00 63.33 H new ATOM 0 HA ASP A 148 29.778 42.366 21.956 1.00 0.51 H new ATOM 0 HB2 ASP A 148 28.430 41.488 23.856 1.00 74.15 H new ATOM 0 HB3 ASP A 148 29.896 41.005 24.685 1.00 74.15 H new ATOM 829 N LYS A 149 32.491 41.009 23.302 1.00 15.24 N ATOM 830 CA LYS A 149 33.961 41.129 23.470 1.00 23.43 C ATOM 831 C LYS A 149 34.673 41.469 22.138 1.00 33.35 C ATOM 832 O LYS A 149 35.595 42.295 22.114 1.00 71.01 O ATOM 833 CB LYS A 149 34.543 39.808 24.063 1.00 22.52 C ATOM 834 CG LYS A 149 34.220 39.555 25.558 1.00 12.42 C ATOM 835 CD LYS A 149 34.858 40.617 26.490 1.00 32.12 C ATOM 836 CE LYS A 149 34.689 40.290 27.986 1.00 11.20 C ATOM 837 NZ LYS A 149 33.260 40.226 28.403 1.00 53.42 N ATOM 0 H LYS A 149 32.120 40.115 23.624 1.00 15.24 H new ATOM 0 HA LYS A 149 34.144 41.952 24.160 1.00 23.43 H new ATOM 0 HB2 LYS A 149 34.164 38.969 23.479 1.00 22.52 H new ATOM 0 HB3 LYS A 149 35.626 39.819 23.939 1.00 22.52 H new ATOM 0 HG2 LYS A 149 33.139 39.555 25.698 1.00 12.42 H new ATOM 0 HG3 LYS A 149 34.578 38.565 25.841 1.00 12.42 H new ATOM 0 HD2 LYS A 149 35.920 40.701 26.261 1.00 32.12 H new ATOM 0 HD3 LYS A 149 34.409 41.589 26.284 1.00 32.12 H new ATOM 0 HE2 LYS A 149 35.169 39.335 28.201 1.00 11.20 H new ATOM 0 HE3 LYS A 149 35.203 41.046 28.579 1.00 11.20 H new ATOM 0 HZ1 LYS A 149 33.204 40.003 29.417 1.00 53.42 H new ATOM 0 HZ2 LYS A 149 32.805 41.144 28.225 1.00 53.42 H new ATOM 0 HZ3 LYS A 149 32.772 39.486 27.859 1.00 53.42 H new ATOM 851 N PHE A 150 34.210 40.837 21.041 1.00 63.44 N ATOM 852 CA PHE A 150 34.802 41.005 19.697 1.00 24.22 C ATOM 853 C PHE A 150 34.513 42.417 19.155 1.00 70.12 C ATOM 854 O PHE A 150 35.404 43.081 18.624 1.00 12.11 O ATOM 855 CB PHE A 150 34.236 39.920 18.733 1.00 40.53 C ATOM 856 CG PHE A 150 34.984 39.778 17.399 1.00 53.53 C ATOM 857 CD1 PHE A 150 36.053 38.890 17.273 1.00 11.25 C ATOM 858 CD2 PHE A 150 34.622 40.523 16.276 1.00 22.32 C ATOM 859 CE1 PHE A 150 36.731 38.753 16.079 1.00 10.23 C ATOM 860 CE2 PHE A 150 35.303 40.385 15.081 1.00 3.22 C ATOM 861 CZ PHE A 150 36.357 39.501 14.982 1.00 4.55 C ATOM 0 H PHE A 150 33.416 40.197 21.061 1.00 63.44 H new ATOM 0 HA PHE A 150 35.883 40.884 19.767 1.00 24.22 H new ATOM 0 HB2 PHE A 150 34.252 38.958 19.245 1.00 40.53 H new ATOM 0 HB3 PHE A 150 33.192 40.152 18.523 1.00 40.53 H new ATOM 0 HD1 PHE A 150 36.355 38.299 18.125 1.00 11.25 H new ATOM 0 HD2 PHE A 150 33.798 41.218 16.341 1.00 22.32 H new ATOM 0 HE1 PHE A 150 37.555 38.059 16.003 1.00 10.23 H new ATOM 0 HE2 PHE A 150 35.009 40.971 14.223 1.00 3.22 H new ATOM 0 HZ PHE A 150 36.888 39.395 14.048 1.00 4.55 H new ATOM 871 N SER A 151 33.255 42.863 19.319 1.00 65.30 N ATOM 872 CA SER A 151 32.776 44.146 18.772 1.00 3.14 C ATOM 873 C SER A 151 33.415 45.359 19.489 1.00 53.03 C ATOM 874 O SER A 151 33.706 46.377 18.849 1.00 32.14 O ATOM 875 CB SER A 151 31.236 44.211 18.869 1.00 32.21 C ATOM 876 OG SER A 151 30.630 43.129 18.177 1.00 53.13 O ATOM 0 H SER A 151 32.542 42.346 19.834 1.00 65.30 H new ATOM 0 HA SER A 151 33.078 44.197 17.726 1.00 3.14 H new ATOM 0 HB2 SER A 151 30.934 44.191 19.916 1.00 32.21 H new ATOM 0 HB3 SER A 151 30.883 45.155 18.454 1.00 32.21 H new ATOM 0 HG SER A 151 30.636 42.332 18.747 1.00 53.13 H new ATOM 882 N MET A 152 33.634 45.234 20.817 1.00 70.01 N ATOM 883 CA MET A 152 34.172 46.338 21.647 1.00 14.25 C ATOM 884 C MET A 152 35.659 46.610 21.358 1.00 61.34 C ATOM 885 O MET A 152 36.059 47.763 21.157 1.00 55.00 O ATOM 886 CB MET A 152 33.997 46.049 23.162 1.00 62.14 C ATOM 887 CG MET A 152 32.549 45.994 23.660 1.00 32.53 C ATOM 888 SD MET A 152 32.447 45.830 25.460 1.00 42.02 S ATOM 889 CE MET A 152 33.409 44.342 25.762 1.00 22.51 C ATOM 0 H MET A 152 33.446 44.378 21.339 1.00 70.01 H new ATOM 0 HA MET A 152 33.596 47.224 21.379 1.00 14.25 H new ATOM 0 HB2 MET A 152 34.478 45.098 23.391 1.00 62.14 H new ATOM 0 HB3 MET A 152 34.527 46.818 23.724 1.00 62.14 H new ATOM 0 HG2 MET A 152 32.026 46.898 23.350 1.00 32.53 H new ATOM 0 HG3 MET A 152 32.038 45.153 23.191 1.00 32.53 H new ATOM 0 HE1 MET A 152 33.295 44.040 26.803 1.00 22.51 H new ATOM 0 HE2 MET A 152 33.056 43.542 25.111 1.00 22.51 H new ATOM 0 HE3 MET A 152 34.461 44.540 25.555 1.00 22.51 H new ATOM 899 N THR A 153 36.473 45.543 21.347 1.00 44.05 N ATOM 900 CA THR A 153 37.944 45.661 21.292 1.00 53.53 C ATOM 901 C THR A 153 38.461 45.503 19.850 1.00 4.25 C ATOM 902 O THR A 153 39.310 46.278 19.390 1.00 3.40 O ATOM 903 CB THR A 153 38.607 44.577 22.211 1.00 1.42 C ATOM 904 OG1 THR A 153 38.283 43.268 21.720 1.00 4.34 O ATOM 905 CG2 THR A 153 38.137 44.690 23.674 1.00 24.23 C ATOM 0 H THR A 153 36.137 44.580 21.376 1.00 44.05 H new ATOM 0 HA THR A 153 38.214 46.655 21.648 1.00 53.53 H new ATOM 0 HB THR A 153 39.684 44.744 22.187 1.00 1.42 H new ATOM 0 HG1 THR A 153 37.345 43.066 21.921 1.00 4.34 H new ATOM 0 HG21 THR A 153 38.622 43.919 24.273 1.00 24.23 H new ATOM 0 HG22 THR A 153 38.400 45.673 24.066 1.00 24.23 H new ATOM 0 HG23 THR A 153 37.056 44.558 23.720 1.00 24.23 H new ATOM 913 N GLY A 154 37.906 44.513 19.135 1.00 13.01 N ATOM 914 CA GLY A 154 38.361 44.149 17.791 1.00 73.15 C ATOM 915 C GLY A 154 38.497 42.641 17.645 1.00 21.02 C ATOM 916 O GLY A 154 38.228 42.081 16.576 1.00 13.15 O ATOM 0 H GLY A 154 37.130 43.945 19.475 1.00 13.01 H new ATOM 0 HA2 GLY A 154 37.655 44.526 17.051 1.00 73.15 H new ATOM 0 HA3 GLY A 154 39.321 44.625 17.588 1.00 73.15 H new ATOM 920 N ASN A 155 38.926 41.985 18.740 1.00 44.33 N ATOM 921 CA ASN A 155 39.137 40.526 18.800 1.00 13.31 C ATOM 922 C ASN A 155 38.560 39.979 20.113 1.00 0.30 C ATOM 923 O ASN A 155 38.658 40.621 21.160 1.00 20.12 O ATOM 924 CB ASN A 155 40.648 40.168 18.701 1.00 14.32 C ATOM 925 CG ASN A 155 41.274 40.525 17.350 1.00 31.02 C ATOM 926 OD1 ASN A 155 41.320 39.707 16.431 1.00 1.14 O ATOM 927 ND2 ASN A 155 41.744 41.754 17.213 1.00 13.03 N ATOM 0 H ASN A 155 39.138 42.459 19.618 1.00 44.33 H new ATOM 0 HA ASN A 155 38.626 40.071 17.951 1.00 13.31 H new ATOM 0 HB2 ASN A 155 41.189 40.688 19.492 1.00 14.32 H new ATOM 0 HB3 ASN A 155 40.772 39.100 18.879 1.00 14.32 H new ATOM 0 HD21 ASN A 155 42.158 42.046 16.328 1.00 13.03 H new ATOM 0 HD22 ASN A 155 41.692 42.410 17.993 1.00 13.03 H new ATOM 934 N CYS A 156 37.966 38.784 20.040 1.00 4.10 N ATOM 935 CA CYS A 156 37.364 38.103 21.195 1.00 30.34 C ATOM 936 C CYS A 156 38.440 37.304 21.947 1.00 11.30 C ATOM 937 O CYS A 156 39.101 36.447 21.350 1.00 22.32 O ATOM 938 CB CYS A 156 36.245 37.172 20.695 1.00 73.00 C ATOM 939 SG CYS A 156 35.393 36.204 21.978 1.00 32.13 S ATOM 0 H CYS A 156 37.888 38.256 19.171 1.00 4.10 H new ATOM 0 HA CYS A 156 36.940 38.835 21.883 1.00 30.34 H new ATOM 0 HB2 CYS A 156 35.505 37.774 20.168 1.00 73.00 H new ATOM 0 HB3 CYS A 156 36.670 36.481 19.967 1.00 73.00 H new ATOM 0 HG CYS A 156 34.150 36.031 21.637 1.00 32.13 H new ATOM 944 N LYS A 157 38.603 37.592 23.254 1.00 41.42 N ATOM 945 CA LYS A 157 39.599 36.921 24.127 1.00 73.34 C ATOM 946 C LYS A 157 39.307 35.410 24.294 1.00 75.14 C ATOM 947 O LYS A 157 40.215 34.624 24.591 1.00 34.04 O ATOM 948 CB LYS A 157 39.660 37.617 25.515 1.00 4.13 C ATOM 949 CG LYS A 157 38.307 37.680 26.275 1.00 40.01 C ATOM 950 CD LYS A 157 38.446 38.192 27.730 1.00 11.13 C ATOM 951 CE LYS A 157 39.302 37.255 28.608 1.00 62.22 C ATOM 952 NZ LYS A 157 39.367 37.693 30.026 1.00 25.40 N ATOM 0 H LYS A 157 38.048 38.297 23.739 1.00 41.42 H new ATOM 0 HA LYS A 157 40.569 37.011 23.638 1.00 73.34 H new ATOM 0 HB2 LYS A 157 40.385 37.092 26.137 1.00 4.13 H new ATOM 0 HB3 LYS A 157 40.032 38.633 25.380 1.00 4.13 H new ATOM 0 HG2 LYS A 157 37.623 38.332 25.732 1.00 40.01 H new ATOM 0 HG3 LYS A 157 37.859 36.687 26.288 1.00 40.01 H new ATOM 0 HD2 LYS A 157 38.894 39.186 27.721 1.00 11.13 H new ATOM 0 HD3 LYS A 157 37.455 38.294 28.172 1.00 11.13 H new ATOM 0 HE2 LYS A 157 38.891 36.247 28.563 1.00 62.22 H new ATOM 0 HE3 LYS A 157 40.312 37.206 28.201 1.00 62.22 H new ATOM 0 HZ1 LYS A 157 39.954 37.028 30.568 1.00 25.40 H new ATOM 0 HZ2 LYS A 157 39.785 38.644 30.077 1.00 25.40 H new ATOM 0 HZ3 LYS A 157 38.408 37.714 30.427 1.00 25.40 H new ATOM 966 N TYR A 158 38.031 35.025 24.112 1.00 10.23 N ATOM 967 CA TYR A 158 37.596 33.612 24.129 1.00 34.51 C ATOM 968 C TYR A 158 38.037 32.900 22.830 1.00 75.20 C ATOM 969 O TYR A 158 38.438 31.732 22.860 1.00 12.52 O ATOM 970 CB TYR A 158 36.058 33.524 24.291 1.00 73.15 C ATOM 971 CG TYR A 158 35.510 34.026 25.639 1.00 31.12 C ATOM 972 CD1 TYR A 158 35.377 35.394 25.911 1.00 34.01 C ATOM 973 CD2 TYR A 158 35.114 33.128 26.636 1.00 54.10 C ATOM 974 CE1 TYR A 158 34.875 35.838 27.120 1.00 12.05 C ATOM 975 CE2 TYR A 158 34.613 33.570 27.843 1.00 54.24 C ATOM 976 CZ TYR A 158 34.494 34.922 28.080 1.00 34.03 C ATOM 977 OH TYR A 158 33.990 35.363 29.285 1.00 13.24 O ATOM 0 H TYR A 158 37.270 35.684 23.949 1.00 10.23 H new ATOM 0 HA TYR A 158 38.065 33.114 24.978 1.00 34.51 H new ATOM 0 HB2 TYR A 158 35.591 34.098 23.491 1.00 73.15 H new ATOM 0 HB3 TYR A 158 35.754 32.486 24.157 1.00 73.15 H new ATOM 0 HD1 TYR A 158 35.672 36.115 25.163 1.00 34.01 H new ATOM 0 HD2 TYR A 158 35.202 32.067 26.457 1.00 54.10 H new ATOM 0 HE1 TYR A 158 34.781 36.897 27.313 1.00 12.05 H new ATOM 0 HE2 TYR A 158 34.315 32.859 28.599 1.00 54.24 H new ATOM 0 HH TYR A 158 33.769 34.592 29.849 1.00 13.24 H new ATOM 987 N GLY A 159 37.956 33.637 21.700 1.00 11.43 N ATOM 988 CA GLY A 159 38.363 33.132 20.383 1.00 20.54 C ATOM 989 C GLY A 159 37.478 31.992 19.888 1.00 61.42 C ATOM 990 O GLY A 159 36.274 32.181 19.698 1.00 11.30 O ATOM 0 H GLY A 159 37.607 34.595 21.682 1.00 11.43 H new ATOM 0 HA2 GLY A 159 38.334 33.948 19.661 1.00 20.54 H new ATOM 0 HA3 GLY A 159 39.396 32.788 20.434 1.00 20.54 H new ATOM 994 N THR A 160 38.069 30.801 19.705 1.00 23.30 N ATOM 995 CA THR A 160 37.342 29.601 19.245 1.00 71.22 C ATOM 996 C THR A 160 36.511 28.972 20.385 1.00 64.13 C ATOM 997 O THR A 160 35.686 28.086 20.145 1.00 63.03 O ATOM 998 CB THR A 160 38.329 28.548 18.645 1.00 22.25 C ATOM 999 OG1 THR A 160 39.334 28.215 19.616 1.00 10.01 O ATOM 1000 CG2 THR A 160 39.005 29.067 17.361 1.00 71.35 C ATOM 0 H THR A 160 39.062 30.640 19.871 1.00 23.30 H new ATOM 0 HA THR A 160 36.653 29.917 18.462 1.00 71.22 H new ATOM 0 HB THR A 160 37.751 27.660 18.387 1.00 22.25 H new ATOM 0 HG1 THR A 160 39.949 27.554 19.236 1.00 10.01 H new ATOM 0 HG21 THR A 160 39.684 28.307 16.974 1.00 71.35 H new ATOM 0 HG22 THR A 160 38.244 29.288 16.613 1.00 71.35 H new ATOM 0 HG23 THR A 160 39.567 29.974 17.586 1.00 71.35 H new ATOM 1008 N ARG A 161 36.747 29.440 21.628 1.00 75.31 N ATOM 1009 CA ARG A 161 35.966 29.041 22.816 1.00 21.32 C ATOM 1010 C ARG A 161 34.806 30.024 23.080 1.00 2.13 C ATOM 1011 O ARG A 161 34.123 29.926 24.108 1.00 33.30 O ATOM 1012 CB ARG A 161 36.908 28.931 24.046 1.00 24.24 C ATOM 1013 CG ARG A 161 38.048 27.885 23.919 1.00 13.14 C ATOM 1014 CD ARG A 161 37.548 26.422 23.818 1.00 33.22 C ATOM 1015 NE ARG A 161 36.908 26.108 22.519 1.00 43.01 N ATOM 1016 CZ ARG A 161 35.857 25.283 22.342 1.00 13.33 C ATOM 1017 NH1 ARG A 161 35.291 24.658 23.375 1.00 62.23 N ATOM 1018 NH2 ARG A 161 35.362 25.104 21.123 1.00 75.11 N ATOM 0 H ARG A 161 37.489 30.109 21.836 1.00 75.31 H new ATOM 0 HA ARG A 161 35.518 28.065 22.631 1.00 21.32 H new ATOM 0 HB2 ARG A 161 37.354 29.909 24.230 1.00 24.24 H new ATOM 0 HB3 ARG A 161 36.307 28.685 24.922 1.00 24.24 H new ATOM 0 HG2 ARG A 161 38.644 28.117 23.036 1.00 13.14 H new ATOM 0 HG3 ARG A 161 38.708 27.975 24.782 1.00 13.14 H new ATOM 0 HD2 ARG A 161 38.389 25.747 23.973 1.00 33.22 H new ATOM 0 HD3 ARG A 161 36.836 26.233 24.621 1.00 33.22 H new ATOM 0 HE ARG A 161 37.296 26.554 21.688 1.00 43.01 H new ATOM 0 HH11 ARG A 161 35.653 24.801 24.318 1.00 62.23 H new ATOM 0 HH12 ARG A 161 34.496 24.037 23.222 1.00 62.23 H new ATOM 0 HH21 ARG A 161 35.777 25.589 20.328 1.00 75.11 H new ATOM 0 HH22 ARG A 161 34.567 24.481 20.982 1.00 75.11 H new ATOM 1032 N CYS A 162 34.589 30.964 22.140 1.00 24.30 N ATOM 1033 CA CYS A 162 33.462 31.906 22.185 1.00 14.50 C ATOM 1034 C CYS A 162 32.206 31.245 21.599 1.00 15.05 C ATOM 1035 O CYS A 162 32.231 30.766 20.461 1.00 71.01 O ATOM 1036 CB CYS A 162 33.808 33.185 21.396 1.00 22.52 C ATOM 1037 SG CYS A 162 32.499 34.453 21.363 1.00 13.00 S ATOM 0 H CYS A 162 35.193 31.089 21.328 1.00 24.30 H new ATOM 0 HA CYS A 162 33.267 32.178 23.222 1.00 14.50 H new ATOM 0 HB2 CYS A 162 34.708 33.625 21.825 1.00 22.52 H new ATOM 0 HB3 CYS A 162 34.048 32.906 20.370 1.00 22.52 H new ATOM 0 HG CYS A 162 32.723 35.283 20.387 1.00 13.00 H new ATOM 1042 N GLN A 163 31.111 31.243 22.377 1.00 35.20 N ATOM 1043 CA GLN A 163 29.816 30.649 21.969 1.00 25.32 C ATOM 1044 C GLN A 163 28.911 31.699 21.282 1.00 2.11 C ATOM 1045 O GLN A 163 27.704 31.482 21.117 1.00 65.51 O ATOM 1046 CB GLN A 163 29.102 30.052 23.210 1.00 13.50 C ATOM 1047 CG GLN A 163 28.744 31.085 24.302 1.00 33.41 C ATOM 1048 CD GLN A 163 27.929 30.521 25.469 1.00 55.34 C ATOM 1049 OE1 GLN A 163 28.065 30.975 26.604 1.00 1.42 O ATOM 1050 NE2 GLN A 163 27.039 29.567 25.205 1.00 42.44 N ATOM 0 H GLN A 163 31.093 31.653 23.311 1.00 35.20 H new ATOM 0 HA GLN A 163 30.012 29.855 21.248 1.00 25.32 H new ATOM 0 HB2 GLN A 163 28.188 29.556 22.884 1.00 13.50 H new ATOM 0 HB3 GLN A 163 29.742 29.286 23.648 1.00 13.50 H new ATOM 0 HG2 GLN A 163 29.666 31.515 24.694 1.00 33.41 H new ATOM 0 HG3 GLN A 163 28.183 31.899 23.844 1.00 33.41 H new ATOM 0 HE21 GLN A 163 26.944 29.206 24.256 1.00 42.44 H new ATOM 0 HE22 GLN A 163 26.452 29.197 25.952 1.00 42.44 H new ATOM 1059 N PHE A 164 29.508 32.825 20.856 1.00 32.41 N ATOM 1060 CA PHE A 164 28.780 33.965 20.265 1.00 33.23 C ATOM 1061 C PHE A 164 29.348 34.310 18.872 1.00 54.41 C ATOM 1062 O PHE A 164 30.549 34.136 18.625 1.00 64.41 O ATOM 1063 CB PHE A 164 28.862 35.188 21.211 1.00 63.22 C ATOM 1064 CG PHE A 164 28.260 34.958 22.602 1.00 52.33 C ATOM 1065 CD1 PHE A 164 26.893 34.711 22.751 1.00 32.41 C ATOM 1066 CD2 PHE A 164 29.049 34.992 23.755 1.00 44.01 C ATOM 1067 CE1 PHE A 164 26.338 34.505 24.002 1.00 20.43 C ATOM 1068 CE2 PHE A 164 28.490 34.785 25.005 1.00 4.03 C ATOM 1069 CZ PHE A 164 27.135 34.543 25.127 1.00 52.43 C ATOM 0 H PHE A 164 30.516 32.972 20.912 1.00 32.41 H new ATOM 0 HA PHE A 164 27.733 33.689 20.140 1.00 33.23 H new ATOM 0 HB2 PHE A 164 29.908 35.474 21.324 1.00 63.22 H new ATOM 0 HB3 PHE A 164 28.351 36.029 20.742 1.00 63.22 H new ATOM 0 HD1 PHE A 164 26.260 34.680 21.877 1.00 32.41 H new ATOM 0 HD2 PHE A 164 30.109 35.182 23.670 1.00 44.01 H new ATOM 0 HE1 PHE A 164 25.279 34.314 24.097 1.00 20.43 H new ATOM 0 HE2 PHE A 164 29.114 34.813 25.886 1.00 4.03 H new ATOM 0 HZ PHE A 164 26.700 34.384 26.103 1.00 52.43 H new ATOM 1079 N ILE A 165 28.464 34.809 17.984 1.00 55.01 N ATOM 1080 CA ILE A 165 28.777 35.112 16.568 1.00 24.30 C ATOM 1081 C ILE A 165 29.837 36.229 16.449 1.00 72.40 C ATOM 1082 O ILE A 165 29.610 37.345 16.923 1.00 43.24 O ATOM 1083 CB ILE A 165 27.481 35.572 15.787 1.00 45.45 C ATOM 1084 CG1 ILE A 165 26.348 34.507 15.899 1.00 14.41 C ATOM 1085 CG2 ILE A 165 27.795 35.893 14.301 1.00 33.42 C ATOM 1086 CD1 ILE A 165 25.035 34.891 15.222 1.00 22.15 C ATOM 0 H ILE A 165 27.497 35.017 18.232 1.00 55.01 H new ATOM 0 HA ILE A 165 29.168 34.193 16.131 1.00 24.30 H new ATOM 0 HB ILE A 165 27.128 36.490 16.256 1.00 45.45 H new ATOM 0 HG12 ILE A 165 26.704 33.572 15.465 1.00 14.41 H new ATOM 0 HG13 ILE A 165 26.153 34.315 16.954 1.00 14.41 H new ATOM 0 HG21 ILE A 165 26.881 36.206 13.795 1.00 33.42 H new ATOM 0 HG22 ILE A 165 28.531 36.695 14.250 1.00 33.42 H new ATOM 0 HG23 ILE A 165 28.194 35.004 13.813 1.00 33.42 H new ATOM 0 HD11 ILE A 165 24.309 34.088 15.354 1.00 22.15 H new ATOM 0 HD12 ILE A 165 24.649 35.807 15.670 1.00 22.15 H new ATOM 0 HD13 ILE A 165 25.208 35.053 14.158 1.00 22.15 H new ATOM 1098 N HIS A 166 30.979 35.923 15.807 1.00 32.44 N ATOM 1099 CA HIS A 166 32.018 36.925 15.507 1.00 64.50 C ATOM 1100 C HIS A 166 31.660 37.672 14.211 1.00 33.01 C ATOM 1101 O HIS A 166 31.901 37.173 13.103 1.00 62.34 O ATOM 1102 CB HIS A 166 33.424 36.263 15.402 1.00 63.23 C ATOM 1103 CG HIS A 166 33.972 35.745 16.711 1.00 75.24 C ATOM 1104 ND1 HIS A 166 35.109 34.979 16.827 1.00 21.24 N ATOM 1105 CD2 HIS A 166 33.535 35.946 17.978 1.00 13.11 C ATOM 1106 CE1 HIS A 166 35.322 34.751 18.123 1.00 54.32 C ATOM 1107 NE2 HIS A 166 34.387 35.321 18.875 1.00 43.21 N ATOM 0 H HIS A 166 31.207 34.983 15.484 1.00 32.44 H new ATOM 0 HA HIS A 166 32.058 37.643 16.326 1.00 64.50 H new ATOM 0 HB2 HIS A 166 33.371 35.437 14.693 1.00 63.23 H new ATOM 0 HB3 HIS A 166 34.124 36.991 14.992 1.00 63.23 H new ATOM 0 HD2 HIS A 166 32.654 36.509 18.248 1.00 13.11 H new ATOM 0 HE1 HIS A 166 36.149 34.176 18.512 1.00 54.32 H new ATOM 0 HE2 HIS A 166 34.312 35.303 19.892 1.00 43.21 H new ATOM 1115 N LYS A 167 31.008 38.832 14.371 1.00 53.33 N ATOM 1116 CA LYS A 167 30.735 39.765 13.268 1.00 53.15 C ATOM 1117 C LYS A 167 31.939 40.694 13.089 1.00 62.24 C ATOM 1118 O LYS A 167 32.440 41.243 14.077 1.00 13.22 O ATOM 1119 CB LYS A 167 29.458 40.599 13.563 1.00 63.13 C ATOM 1120 CG LYS A 167 28.152 39.780 13.657 1.00 22.43 C ATOM 1121 CD LYS A 167 27.746 39.110 12.317 1.00 1.41 C ATOM 1122 CE LYS A 167 27.459 40.126 11.196 1.00 32.41 C ATOM 1123 NZ LYS A 167 27.076 39.464 9.926 1.00 41.31 N ATOM 0 H LYS A 167 30.654 39.151 15.273 1.00 53.33 H new ATOM 0 HA LYS A 167 30.568 39.199 12.352 1.00 53.15 H new ATOM 0 HB2 LYS A 167 29.601 41.136 14.501 1.00 63.13 H new ATOM 0 HB3 LYS A 167 29.343 41.349 12.781 1.00 63.13 H new ATOM 0 HG2 LYS A 167 28.269 39.009 14.419 1.00 22.43 H new ATOM 0 HG3 LYS A 167 27.345 40.434 13.987 1.00 22.43 H new ATOM 0 HD2 LYS A 167 28.544 38.440 11.996 1.00 1.41 H new ATOM 0 HD3 LYS A 167 26.860 38.496 12.478 1.00 1.41 H new ATOM 0 HE2 LYS A 167 26.658 40.795 11.511 1.00 32.41 H new ATOM 0 HE3 LYS A 167 28.343 40.742 11.031 1.00 32.41 H new ATOM 0 HZ1 LYS A 167 26.892 40.186 9.200 1.00 41.31 H new ATOM 0 HZ2 LYS A 167 27.849 38.845 9.610 1.00 41.31 H new ATOM 0 HZ3 LYS A 167 26.217 38.897 10.075 1.00 41.31 H new