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 93:sc= 0.356! USER MOD Set 1.2: A 156 CYS SG : rot 113:sc= -0.373 USER MOD Set 1.3: A 162 CYS SG : rot 111:sc= 1.85 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 0.263 K(o=2.1,f=-11!) USER MOD Set 2.1: A 104 CYS SG : rot 124:sc= 2.15 USER MOD Set 2.2: A 113 CYS SG : rot 150:sc= -2.66! USER MOD Set 2.3: A 119 CYS SG : rot 170:sc= -3.65! USER MOD Set 2.4: A 123 HIS : no HE2:sc= -1.14 K(o=-5.3,f=-22!) USER MOD Single : A 100 LYS NZ :NH3+ 158:sc= 0.816 (180deg=0.493) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -28:sc= 0.139 USER MOD Single : A 111 GLN : amide:sc=-0.00634 X(o=-0.0063,f=-0.23) USER MOD Single : A 114 SER OG : rot 180:sc= 0.00017 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.266 K(o=-0.27,f=-3.7!) USER MOD Single : A 126 HIS : no HD1:sc= -0.173 K(o=-0.17,f=-3.6!) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot -82:sc= 0.57 USER MOD Single : A 152 MET CE :methyl -172:sc= -0.23 (180deg=-0.472) USER MOD Single : A 153 THR OG1 : rot -64:sc= 1.38 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 X(o=0,f=0) USER MOD Single : A 167 LYS NZ :NH3+ -171:sc=-0.00622 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 -1.353 9.767 10.114 1.00 61.01 N ATOM 37 CA PHE A 99 -1.218 8.712 9.117 1.00 43.35 C ATOM 38 C PHE A 99 -1.165 9.311 7.702 1.00 71.21 C ATOM 39 O PHE A 99 -1.777 10.350 7.419 1.00 25.41 O ATOM 40 CB PHE A 99 -2.416 7.713 9.205 1.00 72.31 C ATOM 41 CG PHE A 99 -2.356 6.658 10.318 1.00 12.02 C ATOM 42 CD1 PHE A 99 -2.817 5.360 10.079 1.00 44.45 C ATOM 43 CD2 PHE A 99 -1.860 6.950 11.591 1.00 41.04 C ATOM 44 CE1 PHE A 99 -2.789 4.398 11.067 1.00 1.20 C ATOM 45 CE2 PHE A 99 -1.829 5.982 12.581 1.00 23.04 C ATOM 46 CZ PHE A 99 -2.295 4.707 12.319 1.00 52.13 C ATOM 0 HA PHE A 99 -0.289 8.179 9.320 1.00 43.35 H new ATOM 0 HB2 PHE A 99 -3.331 8.291 9.333 1.00 72.31 H new ATOM 0 HB3 PHE A 99 -2.497 7.195 8.250 1.00 72.31 H new ATOM 0 HD1 PHE A 99 -3.202 5.106 9.103 1.00 44.45 H new ATOM 0 HD2 PHE A 99 -1.496 7.944 11.806 1.00 41.04 H new ATOM 0 HE1 PHE A 99 -3.154 3.402 10.861 1.00 1.20 H new ATOM 0 HE2 PHE A 99 -1.440 6.224 13.559 1.00 23.04 H new ATOM 0 HZ PHE A 99 -2.273 3.954 13.093 1.00 52.13 H new ATOM 56 N LYS A 100 -0.406 8.624 6.853 1.00 34.21 N ATOM 57 CA LYS A 100 -0.460 8.737 5.377 1.00 31.52 C ATOM 58 C LYS A 100 0.057 10.100 4.882 1.00 5.35 C ATOM 59 O LYS A 100 -0.417 10.642 3.884 1.00 65.30 O ATOM 60 CB LYS A 100 -1.900 8.418 4.869 1.00 1.30 C ATOM 61 CG LYS A 100 -2.420 7.024 5.304 1.00 13.13 C ATOM 62 CD LYS A 100 -3.874 6.751 4.865 1.00 60.21 C ATOM 63 CE LYS A 100 -4.408 5.414 5.416 1.00 21.33 C ATOM 64 NZ LYS A 100 -5.823 5.168 5.024 1.00 3.14 N ATOM 0 H LYS A 100 0.289 7.949 7.171 1.00 34.21 H new ATOM 0 HA LYS A 100 0.215 7.996 4.949 1.00 31.52 H new ATOM 0 HB2 LYS A 100 -2.584 9.182 5.238 1.00 1.30 H new ATOM 0 HB3 LYS A 100 -1.913 8.478 3.781 1.00 1.30 H new ATOM 0 HG2 LYS A 100 -1.771 6.255 4.885 1.00 13.13 H new ATOM 0 HG3 LYS A 100 -2.354 6.941 6.389 1.00 13.13 H new ATOM 0 HD2 LYS A 100 -4.514 7.564 5.207 1.00 60.21 H new ATOM 0 HD3 LYS A 100 -3.927 6.740 3.776 1.00 60.21 H new ATOM 0 HE2 LYS A 100 -3.785 4.598 5.051 1.00 21.33 H new ATOM 0 HE3 LYS A 100 -4.329 5.414 6.503 1.00 21.33 H new ATOM 0 HZ1 LYS A 100 -6.026 4.149 5.077 1.00 3.14 H new ATOM 0 HZ2 LYS A 100 -6.456 5.681 5.670 1.00 3.14 H new ATOM 0 HZ3 LYS A 100 -5.977 5.501 4.051 1.00 3.14 H new ATOM 78 N THR A 101 1.076 10.615 5.587 1.00 41.34 N ATOM 79 CA THR A 101 1.786 11.852 5.212 1.00 2.12 C ATOM 80 C THR A 101 2.900 11.571 4.167 1.00 35.51 C ATOM 81 O THR A 101 3.547 12.499 3.670 1.00 52.52 O ATOM 82 CB THR A 101 2.381 12.537 6.484 1.00 64.11 C ATOM 83 OG1 THR A 101 3.243 11.614 7.170 1.00 14.13 O ATOM 84 CG2 THR A 101 1.274 13.024 7.444 1.00 13.44 C ATOM 0 H THR A 101 1.434 10.184 6.439 1.00 41.34 H new ATOM 0 HA THR A 101 1.067 12.530 4.751 1.00 2.12 H new ATOM 0 HB THR A 101 2.949 13.409 6.159 1.00 64.11 H new ATOM 0 HG1 THR A 101 3.617 12.046 7.967 1.00 14.13 H new ATOM 0 HG21 THR A 101 1.729 13.494 8.316 1.00 13.44 H new ATOM 0 HG22 THR A 101 0.640 13.747 6.931 1.00 13.44 H new ATOM 0 HG23 THR A 101 0.670 12.175 7.764 1.00 13.44 H new ATOM 92 N ALA A 102 3.117 10.279 3.861 1.00 34.01 N ATOM 93 CA ALA A 102 4.033 9.812 2.801 1.00 73.44 C ATOM 94 C ALA A 102 3.431 8.561 2.141 1.00 20.43 C ATOM 95 O ALA A 102 2.638 7.857 2.771 1.00 64.34 O ATOM 96 CB ALA A 102 5.428 9.513 3.372 1.00 60.43 C ATOM 0 H ALA A 102 2.653 9.515 4.352 1.00 34.01 H new ATOM 0 HA ALA A 102 4.151 10.596 2.053 1.00 73.44 H new ATOM 0 HB1 ALA A 102 6.083 9.171 2.571 1.00 60.43 H new ATOM 0 HB2 ALA A 102 5.841 10.418 3.817 1.00 60.43 H new ATOM 0 HB3 ALA A 102 5.351 8.737 4.134 1.00 60.43 H new ATOM 102 N LEU A 103 3.829 8.291 0.886 1.00 44.11 N ATOM 103 CA LEU A 103 3.258 7.204 0.059 1.00 3.31 C ATOM 104 C LEU A 103 3.703 5.802 0.528 1.00 75.24 C ATOM 105 O LEU A 103 4.796 5.619 1.076 1.00 72.41 O ATOM 106 CB LEU A 103 3.627 7.427 -1.435 1.00 34.33 C ATOM 107 CG LEU A 103 2.920 8.640 -2.129 1.00 75.24 C ATOM 108 CD1 LEU A 103 3.527 8.933 -3.519 1.00 31.20 C ATOM 109 CD2 LEU A 103 1.387 8.405 -2.223 1.00 1.25 C ATOM 0 H LEU A 103 4.559 8.821 0.411 1.00 44.11 H new ATOM 0 HA LEU A 103 2.175 7.240 0.176 1.00 3.31 H new ATOM 0 HB2 LEU A 103 4.706 7.567 -1.508 1.00 34.33 H new ATOM 0 HB3 LEU A 103 3.385 6.521 -1.990 1.00 34.33 H new ATOM 0 HG LEU A 103 3.090 9.521 -1.510 1.00 75.24 H new ATOM 0 HD11 LEU A 103 3.011 9.781 -3.970 1.00 31.20 H new ATOM 0 HD12 LEU A 103 4.586 9.168 -3.411 1.00 31.20 H new ATOM 0 HD13 LEU A 103 3.413 8.057 -4.158 1.00 31.20 H new ATOM 0 HD21 LEU A 103 0.917 9.260 -2.708 1.00 1.25 H new ATOM 0 HD22 LEU A 103 1.192 7.505 -2.806 1.00 1.25 H new ATOM 0 HD23 LEU A 103 0.975 8.285 -1.221 1.00 1.25 H new ATOM 121 N CYS A 104 2.810 4.832 0.290 1.00 54.04 N ATOM 122 CA CYS A 104 3.001 3.412 0.616 1.00 65.02 C ATOM 123 C CYS A 104 3.854 2.752 -0.470 1.00 53.14 C ATOM 124 O CYS A 104 3.492 2.792 -1.654 1.00 24.20 O ATOM 125 CB CYS A 104 1.608 2.738 0.731 1.00 73.05 C ATOM 126 SG CYS A 104 1.585 0.938 1.063 1.00 61.51 S ATOM 0 H CYS A 104 1.908 5.019 -0.148 1.00 54.04 H new ATOM 0 HA CYS A 104 3.523 3.300 1.567 1.00 65.02 H new ATOM 0 HB2 CYS A 104 1.054 3.237 1.526 1.00 73.05 H new ATOM 0 HB3 CYS A 104 1.066 2.919 -0.197 1.00 73.05 H new ATOM 0 HG CYS A 104 0.890 0.704 2.136 1.00 61.51 H new ATOM 131 N ASP A 105 4.992 2.163 -0.055 1.00 32.42 N ATOM 132 CA ASP A 105 5.934 1.508 -0.976 1.00 1.20 C ATOM 133 C ASP A 105 5.275 0.280 -1.626 1.00 4.15 C ATOM 134 O ASP A 105 5.404 0.065 -2.825 1.00 43.42 O ATOM 135 CB ASP A 105 7.243 1.122 -0.238 1.00 51.23 C ATOM 136 CG ASP A 105 8.328 0.567 -1.183 1.00 52.32 C ATOM 137 OD1 ASP A 105 8.602 -0.654 -1.156 1.00 53.35 O ATOM 138 OD2 ASP A 105 8.904 1.356 -1.974 1.00 42.24 O ATOM 0 H ASP A 105 5.281 2.129 0.923 1.00 32.42 H new ATOM 0 HA ASP A 105 6.196 2.210 -1.768 1.00 1.20 H new ATOM 0 HB2 ASP A 105 7.634 1.998 0.279 1.00 51.23 H new ATOM 0 HB3 ASP A 105 7.017 0.376 0.524 1.00 51.23 H new ATOM 143 N ALA A 106 4.513 -0.477 -0.818 1.00 2.54 N ATOM 144 CA ALA A 106 3.750 -1.658 -1.284 1.00 32.43 C ATOM 145 C ALA A 106 2.695 -1.282 -2.350 1.00 50.35 C ATOM 146 O ALA A 106 2.321 -2.112 -3.180 1.00 24.25 O ATOM 147 CB ALA A 106 3.088 -2.363 -0.090 1.00 54.44 C ATOM 0 H ALA A 106 4.406 -0.291 0.179 1.00 2.54 H new ATOM 0 HA ALA A 106 4.454 -2.343 -1.757 1.00 32.43 H new ATOM 0 HB1 ALA A 106 2.530 -3.230 -0.443 1.00 54.44 H new ATOM 0 HB2 ALA A 106 3.856 -2.688 0.612 1.00 54.44 H new ATOM 0 HB3 ALA A 106 2.408 -1.672 0.409 1.00 54.44 H new ATOM 153 N TYR A 107 2.220 -0.020 -2.312 1.00 24.33 N ATOM 154 CA TYR A 107 1.281 0.508 -3.316 1.00 61.33 C ATOM 155 C TYR A 107 2.025 0.851 -4.612 1.00 33.44 C ATOM 156 O TYR A 107 1.621 0.436 -5.691 1.00 33.44 O ATOM 157 CB TYR A 107 0.534 1.761 -2.782 1.00 2.24 C ATOM 158 CG TYR A 107 -0.387 2.449 -3.819 1.00 35.43 C ATOM 159 CD1 TYR A 107 -0.037 3.669 -4.416 1.00 24.41 C ATOM 160 CD2 TYR A 107 -1.591 1.861 -4.220 1.00 51.33 C ATOM 161 CE1 TYR A 107 -0.851 4.267 -5.362 1.00 54.14 C ATOM 162 CE2 TYR A 107 -2.406 2.460 -5.164 1.00 12.12 C ATOM 163 CZ TYR A 107 -2.032 3.657 -5.731 1.00 12.31 C ATOM 164 OH TYR A 107 -2.847 4.250 -6.670 1.00 24.51 O ATOM 0 H TYR A 107 2.475 0.654 -1.590 1.00 24.33 H new ATOM 0 HA TYR A 107 0.542 -0.266 -3.524 1.00 61.33 H new ATOM 0 HB2 TYR A 107 -0.065 1.471 -1.919 1.00 2.24 H new ATOM 0 HB3 TYR A 107 1.269 2.485 -2.431 1.00 2.24 H new ATOM 0 HD1 TYR A 107 0.886 4.151 -4.132 1.00 24.41 H new ATOM 0 HD2 TYR A 107 -1.891 0.920 -3.784 1.00 51.33 H new ATOM 0 HE1 TYR A 107 -0.563 5.207 -5.809 1.00 54.14 H new ATOM 0 HE2 TYR A 107 -3.333 1.989 -5.455 1.00 12.12 H new ATOM 0 HH TYR A 107 -3.638 3.690 -6.817 1.00 24.51 H new ATOM 174 N LYS A 108 3.115 1.623 -4.493 1.00 42.33 N ATOM 175 CA LYS A 108 3.805 2.198 -5.665 1.00 32.20 C ATOM 176 C LYS A 108 4.665 1.157 -6.417 1.00 42.51 C ATOM 177 O LYS A 108 5.047 1.389 -7.571 1.00 34.14 O ATOM 178 CB LYS A 108 4.634 3.438 -5.237 1.00 24.34 C ATOM 179 CG LYS A 108 5.796 3.169 -4.257 1.00 63.41 C ATOM 180 CD LYS A 108 6.317 4.467 -3.583 1.00 23.31 C ATOM 181 CE LYS A 108 6.876 5.499 -4.587 1.00 75.33 C ATOM 182 NZ LYS A 108 8.081 5.002 -5.303 1.00 33.52 N ATOM 0 H LYS A 108 3.540 1.866 -3.598 1.00 42.33 H new ATOM 0 HA LYS A 108 3.044 2.520 -6.376 1.00 32.20 H new ATOM 0 HB2 LYS A 108 5.042 3.905 -6.134 1.00 24.34 H new ATOM 0 HB3 LYS A 108 3.959 4.161 -4.780 1.00 24.34 H new ATOM 0 HG2 LYS A 108 5.464 2.472 -3.488 1.00 63.41 H new ATOM 0 HG3 LYS A 108 6.614 2.687 -4.792 1.00 63.41 H new ATOM 0 HD2 LYS A 108 5.505 4.925 -3.017 1.00 23.31 H new ATOM 0 HD3 LYS A 108 7.097 4.208 -2.868 1.00 23.31 H new ATOM 0 HE2 LYS A 108 6.103 5.750 -5.314 1.00 75.33 H new ATOM 0 HE3 LYS A 108 7.126 6.418 -4.057 1.00 75.33 H new ATOM 0 HZ1 LYS A 108 8.417 5.731 -5.964 1.00 33.52 H new ATOM 0 HZ2 LYS A 108 8.830 4.787 -4.614 1.00 33.52 H new ATOM 0 HZ3 LYS A 108 7.840 4.140 -5.832 1.00 33.52 H new ATOM 196 N ARG A 109 4.984 0.025 -5.755 1.00 3.31 N ATOM 197 CA ARG A 109 5.732 -1.095 -6.383 1.00 11.22 C ATOM 198 C ARG A 109 4.789 -2.168 -6.974 1.00 23.44 C ATOM 199 O ARG A 109 5.052 -2.699 -8.058 1.00 15.24 O ATOM 200 CB ARG A 109 6.704 -1.750 -5.358 1.00 11.25 C ATOM 201 CG ARG A 109 7.717 -0.776 -4.709 1.00 60.55 C ATOM 202 CD ARG A 109 8.559 0.004 -5.727 1.00 45.40 C ATOM 203 NE ARG A 109 9.417 1.005 -5.069 1.00 44.44 N ATOM 204 CZ ARG A 109 10.190 1.901 -5.702 1.00 10.23 C ATOM 205 NH1 ARG A 109 10.236 1.950 -7.029 1.00 20.21 N ATOM 206 NH2 ARG A 109 10.918 2.751 -4.996 1.00 54.31 N ATOM 0 H ARG A 109 4.735 -0.142 -4.780 1.00 3.31 H new ATOM 0 HA ARG A 109 6.308 -0.670 -7.205 1.00 11.22 H new ATOM 0 HB2 ARG A 109 6.116 -2.219 -4.569 1.00 11.25 H new ATOM 0 HB3 ARG A 109 7.256 -2.545 -5.859 1.00 11.25 H new ATOM 0 HG2 ARG A 109 7.176 -0.069 -4.080 1.00 60.55 H new ATOM 0 HG3 ARG A 109 8.383 -1.340 -4.056 1.00 60.55 H new ATOM 0 HD2 ARG A 109 9.179 -0.690 -6.295 1.00 45.40 H new ATOM 0 HD3 ARG A 109 7.901 0.501 -6.440 1.00 45.40 H new ATOM 0 HE ARG A 109 9.424 1.018 -4.049 1.00 44.44 H new ATOM 0 HH11 ARG A 109 9.678 1.300 -7.583 1.00 20.21 H new ATOM 0 HH12 ARG A 109 10.829 2.638 -7.494 1.00 20.21 H new ATOM 0 HH21 ARG A 109 10.890 2.723 -3.977 1.00 54.31 H new ATOM 0 HH22 ARG A 109 11.508 3.434 -5.471 1.00 54.31 H new ATOM 220 N SER A 110 3.691 -2.476 -6.252 1.00 23.30 N ATOM 221 CA SER A 110 2.824 -3.651 -6.549 1.00 14.03 C ATOM 222 C SER A 110 1.421 -3.254 -7.074 1.00 2.31 C ATOM 223 O SER A 110 0.674 -4.131 -7.530 1.00 24.24 O ATOM 224 CB SER A 110 2.698 -4.503 -5.260 1.00 51.04 C ATOM 225 OG SER A 110 1.940 -5.687 -5.456 1.00 13.21 O ATOM 0 H SER A 110 3.377 -1.927 -5.452 1.00 23.30 H new ATOM 0 HA SER A 110 3.292 -4.224 -7.350 1.00 14.03 H new ATOM 0 HB2 SER A 110 3.694 -4.769 -4.907 1.00 51.04 H new ATOM 0 HB3 SER A 110 2.232 -3.904 -4.478 1.00 51.04 H new ATOM 0 HG SER A 110 1.288 -5.543 -6.173 1.00 13.21 H new ATOM 231 N GLN A 111 1.090 -1.945 -7.020 1.00 63.41 N ATOM 232 CA GLN A 111 -0.273 -1.391 -7.267 1.00 31.23 C ATOM 233 C GLN A 111 -1.252 -1.865 -6.167 1.00 22.11 C ATOM 234 O GLN A 111 -1.668 -1.074 -5.309 1.00 23.40 O ATOM 235 CB GLN A 111 -0.816 -1.700 -8.702 1.00 53.45 C ATOM 236 CG GLN A 111 -2.222 -1.115 -9.009 1.00 63.21 C ATOM 237 CD GLN A 111 -2.284 0.421 -8.984 1.00 73.14 C ATOM 238 OE1 GLN A 111 -1.320 1.105 -9.320 1.00 1.31 O ATOM 239 NE2 GLN A 111 -3.421 0.972 -8.583 1.00 40.12 N ATOM 0 H GLN A 111 1.774 -1.222 -6.799 1.00 63.41 H new ATOM 0 HA GLN A 111 -0.191 -0.305 -7.217 1.00 31.23 H new ATOM 0 HB2 GLN A 111 -0.109 -1.310 -9.434 1.00 53.45 H new ATOM 0 HB3 GLN A 111 -0.851 -2.781 -8.836 1.00 53.45 H new ATOM 0 HG2 GLN A 111 -2.542 -1.465 -9.990 1.00 63.21 H new ATOM 0 HG3 GLN A 111 -2.933 -1.508 -8.283 1.00 63.21 H new ATOM 0 HE21 GLN A 111 -4.206 0.381 -8.310 1.00 40.12 H new ATOM 0 HE22 GLN A 111 -3.511 1.987 -8.548 1.00 40.12 H new ATOM 248 N ALA A 112 -1.617 -3.161 -6.208 1.00 3.43 N ATOM 249 CA ALA A 112 -2.450 -3.793 -5.179 1.00 75.33 C ATOM 250 C ALA A 112 -1.605 -4.066 -3.919 1.00 3.40 C ATOM 251 O ALA A 112 -0.870 -5.061 -3.851 1.00 15.25 O ATOM 252 CB ALA A 112 -3.087 -5.086 -5.725 1.00 22.35 C ATOM 0 H ALA A 112 -1.340 -3.795 -6.957 1.00 3.43 H new ATOM 0 HA ALA A 112 -3.261 -3.118 -4.904 1.00 75.33 H new ATOM 0 HB1 ALA A 112 -3.702 -5.544 -4.950 1.00 22.35 H new ATOM 0 HB2 ALA A 112 -3.708 -4.849 -6.589 1.00 22.35 H new ATOM 0 HB3 ALA A 112 -2.302 -5.781 -6.023 1.00 22.35 H new ATOM 258 N CYS A 113 -1.672 -3.126 -2.958 1.00 63.11 N ATOM 259 CA CYS A 113 -1.020 -3.259 -1.647 1.00 4.25 C ATOM 260 C CYS A 113 -1.851 -4.217 -0.771 1.00 0.24 C ATOM 261 O CYS A 113 -3.049 -3.988 -0.559 1.00 43.33 O ATOM 262 CB CYS A 113 -0.900 -1.865 -0.984 1.00 41.42 C ATOM 263 SG CYS A 113 -0.220 -1.850 0.711 1.00 23.30 S ATOM 0 H CYS A 113 -2.183 -2.250 -3.072 1.00 63.11 H new ATOM 0 HA CYS A 113 -0.017 -3.668 -1.763 1.00 4.25 H new ATOM 0 HB2 CYS A 113 -0.270 -1.236 -1.614 1.00 41.42 H new ATOM 0 HB3 CYS A 113 -1.889 -1.407 -0.963 1.00 41.42 H new ATOM 0 HG CYS A 113 0.403 -0.728 0.919 1.00 23.30 H new ATOM 268 N SER A 114 -1.193 -5.267 -0.257 1.00 60.24 N ATOM 269 CA SER A 114 -1.842 -6.368 0.488 1.00 1.54 C ATOM 270 C SER A 114 -2.356 -5.918 1.874 1.00 25.00 C ATOM 271 O SER A 114 -3.315 -6.486 2.409 1.00 15.50 O ATOM 272 CB SER A 114 -0.838 -7.531 0.628 1.00 31.34 C ATOM 273 OG SER A 114 0.385 -7.089 1.209 1.00 64.45 O ATOM 0 H SER A 114 -0.183 -5.381 -0.345 1.00 60.24 H new ATOM 0 HA SER A 114 -2.718 -6.694 -0.072 1.00 1.54 H new ATOM 0 HB2 SER A 114 -1.273 -8.318 1.244 1.00 31.34 H new ATOM 0 HB3 SER A 114 -0.642 -7.965 -0.352 1.00 31.34 H new ATOM 0 HG SER A 114 1.002 -7.846 1.288 1.00 64.45 H new ATOM 279 N TYR A 115 -1.705 -4.881 2.426 1.00 20.21 N ATOM 280 CA TYR A 115 -2.012 -4.327 3.756 1.00 12.23 C ATOM 281 C TYR A 115 -3.398 -3.647 3.743 1.00 62.43 C ATOM 282 O TYR A 115 -4.205 -3.846 4.655 1.00 42.33 O ATOM 283 CB TYR A 115 -0.919 -3.304 4.167 1.00 44.51 C ATOM 284 CG TYR A 115 0.527 -3.853 4.180 1.00 55.24 C ATOM 285 CD1 TYR A 115 1.228 -4.102 2.989 1.00 54.11 C ATOM 286 CD2 TYR A 115 1.197 -4.101 5.380 1.00 55.22 C ATOM 287 CE1 TYR A 115 2.527 -4.570 3.003 1.00 64.04 C ATOM 288 CE2 TYR A 115 2.495 -4.575 5.393 1.00 21.13 C ATOM 289 CZ TYR A 115 3.154 -4.806 4.204 1.00 20.54 C ATOM 290 OH TYR A 115 4.454 -5.258 4.219 1.00 3.13 O ATOM 0 H TYR A 115 -0.940 -4.397 1.955 1.00 20.21 H new ATOM 0 HA TYR A 115 -2.029 -5.140 4.482 1.00 12.23 H new ATOM 0 HB2 TYR A 115 -0.962 -2.456 3.483 1.00 44.51 H new ATOM 0 HB3 TYR A 115 -1.155 -2.924 5.161 1.00 44.51 H new ATOM 0 HD1 TYR A 115 0.741 -3.924 2.042 1.00 54.11 H new ATOM 0 HD2 TYR A 115 0.691 -3.919 6.316 1.00 55.22 H new ATOM 0 HE1 TYR A 115 3.048 -4.750 2.075 1.00 64.04 H new ATOM 0 HE2 TYR A 115 2.992 -4.764 6.333 1.00 21.13 H new ATOM 0 HH TYR A 115 4.750 -5.373 5.146 1.00 3.13 H new ATOM 300 N GLY A 116 -3.654 -2.858 2.680 1.00 11.21 N ATOM 301 CA GLY A 116 -4.926 -2.149 2.509 1.00 73.01 C ATOM 302 C GLY A 116 -5.146 -1.063 3.557 1.00 22.22 C ATOM 303 O GLY A 116 -4.418 -0.065 3.581 1.00 23.31 O ATOM 0 H GLY A 116 -2.987 -2.699 1.925 1.00 11.21 H new ATOM 0 HA2 GLY A 116 -4.955 -1.700 1.516 1.00 73.01 H new ATOM 0 HA3 GLY A 116 -5.745 -2.866 2.559 1.00 73.01 H new ATOM 307 N ASP A 117 -6.126 -1.281 4.449 1.00 64.20 N ATOM 308 CA ASP A 117 -6.473 -0.330 5.528 1.00 15.32 C ATOM 309 C ASP A 117 -5.488 -0.435 6.709 1.00 11.44 C ATOM 310 O ASP A 117 -5.513 0.402 7.622 1.00 64.22 O ATOM 311 CB ASP A 117 -7.923 -0.582 6.015 1.00 3.41 C ATOM 312 CG ASP A 117 -8.973 -0.319 4.921 1.00 12.33 C ATOM 313 OD1 ASP A 117 -9.233 -1.227 4.095 1.00 45.33 O ATOM 314 OD2 ASP A 117 -9.531 0.801 4.869 1.00 1.33 O ATOM 0 H ASP A 117 -6.703 -2.122 4.446 1.00 64.20 H new ATOM 0 HA ASP A 117 -6.402 0.679 5.122 1.00 15.32 H new ATOM 0 HB2 ASP A 117 -8.012 -1.613 6.358 1.00 3.41 H new ATOM 0 HB3 ASP A 117 -8.130 0.058 6.873 1.00 3.41 H new ATOM 319 N GLN A 118 -4.633 -1.477 6.687 1.00 20.31 N ATOM 320 CA GLN A 118 -3.560 -1.669 7.685 1.00 20.35 C ATOM 321 C GLN A 118 -2.337 -0.777 7.379 1.00 33.54 C ATOM 322 O GLN A 118 -1.380 -0.737 8.167 1.00 54.44 O ATOM 323 CB GLN A 118 -3.144 -3.165 7.737 1.00 63.42 C ATOM 324 CG GLN A 118 -4.287 -4.146 8.094 1.00 4.15 C ATOM 325 CD GLN A 118 -4.786 -4.070 9.547 1.00 4.34 C ATOM 326 OE1 GLN A 118 -4.745 -3.026 10.204 1.00 65.43 O ATOM 327 NE2 GLN A 118 -5.274 -5.189 10.058 1.00 21.53 N ATOM 0 H GLN A 118 -4.666 -2.209 5.978 1.00 20.31 H new ATOM 0 HA GLN A 118 -3.947 -1.373 8.660 1.00 20.35 H new ATOM 0 HB2 GLN A 118 -2.732 -3.447 6.768 1.00 63.42 H new ATOM 0 HB3 GLN A 118 -2.344 -3.280 8.469 1.00 63.42 H new ATOM 0 HG2 GLN A 118 -5.128 -3.956 7.427 1.00 4.15 H new ATOM 0 HG3 GLN A 118 -3.947 -5.162 7.896 1.00 4.15 H new ATOM 0 HE21 GLN A 118 -5.297 -6.039 9.495 1.00 21.53 H new ATOM 0 HE22 GLN A 118 -5.627 -5.201 11.015 1.00 21.53 H new ATOM 336 N CYS A 119 -2.367 -0.079 6.226 1.00 43.41 N ATOM 337 CA CYS A 119 -1.343 0.888 5.854 1.00 64.41 C ATOM 338 C CYS A 119 -1.491 2.199 6.652 1.00 71.15 C ATOM 339 O CYS A 119 -2.586 2.758 6.776 1.00 42.24 O ATOM 340 CB CYS A 119 -1.404 1.168 4.337 1.00 72.20 C ATOM 341 SG CYS A 119 -0.685 -0.146 3.302 1.00 5.25 S ATOM 0 H CYS A 119 -3.108 -0.178 5.533 1.00 43.41 H new ATOM 0 HA CYS A 119 -0.370 0.461 6.097 1.00 64.41 H new ATOM 0 HB2 CYS A 119 -2.445 1.313 4.048 1.00 72.20 H new ATOM 0 HB3 CYS A 119 -0.883 2.103 4.131 1.00 72.20 H new ATOM 0 HG CYS A 119 -0.970 0.080 2.054 1.00 5.25 H new ATOM 346 N ARG A 120 -0.354 2.662 7.178 1.00 34.33 N ATOM 347 CA ARG A 120 -0.199 3.987 7.814 1.00 34.42 C ATOM 348 C ARG A 120 0.495 4.941 6.822 1.00 65.34 C ATOM 349 O ARG A 120 0.837 6.070 7.164 1.00 23.33 O ATOM 350 CB ARG A 120 0.593 3.890 9.168 1.00 12.21 C ATOM 351 CG ARG A 120 1.850 2.971 9.160 1.00 1.04 C ATOM 352 CD ARG A 120 1.500 1.478 9.349 1.00 63.22 C ATOM 353 NE ARG A 120 2.650 0.587 9.130 1.00 21.35 N ATOM 354 CZ ARG A 120 2.569 -0.738 8.912 1.00 54.33 C ATOM 355 NH1 ARG A 120 1.390 -1.356 8.877 1.00 42.04 N ATOM 356 NH2 ARG A 120 3.674 -1.437 8.715 1.00 13.01 N ATOM 0 H ARG A 120 0.509 2.118 7.177 1.00 34.33 H new ATOM 0 HA ARG A 120 -1.185 4.381 8.061 1.00 34.42 H new ATOM 0 HB2 ARG A 120 0.904 4.894 9.457 1.00 12.21 H new ATOM 0 HB3 ARG A 120 -0.089 3.533 9.940 1.00 12.21 H new ATOM 0 HG2 ARG A 120 2.382 3.098 8.217 1.00 1.04 H new ATOM 0 HG3 ARG A 120 2.529 3.284 9.954 1.00 1.04 H new ATOM 0 HD2 ARG A 120 1.116 1.325 10.357 1.00 63.22 H new ATOM 0 HD3 ARG A 120 0.701 1.207 8.659 1.00 63.22 H new ATOM 0 HE ARG A 120 3.580 1.006 9.145 1.00 21.35 H new ATOM 0 HH11 ARG A 120 0.531 -0.824 9.017 1.00 42.04 H new ATOM 0 HH12 ARG A 120 1.346 -2.361 8.711 1.00 42.04 H new ATOM 0 HH21 ARG A 120 4.581 -0.971 8.729 1.00 13.01 H new ATOM 0 HH22 ARG A 120 3.619 -2.442 8.549 1.00 13.01 H new ATOM 370 N PHE A 121 0.701 4.442 5.583 1.00 53.22 N ATOM 371 CA PHE A 121 1.206 5.210 4.438 1.00 51.35 C ATOM 372 C PHE A 121 0.119 5.249 3.338 1.00 2.33 C ATOM 373 O PHE A 121 -0.772 4.389 3.298 1.00 24.33 O ATOM 374 CB PHE A 121 2.527 4.590 3.917 1.00 72.12 C ATOM 375 CG PHE A 121 3.747 4.812 4.819 1.00 64.01 C ATOM 376 CD1 PHE A 121 3.919 4.082 5.997 1.00 74.33 C ATOM 377 CD2 PHE A 121 4.726 5.752 4.486 1.00 3.21 C ATOM 378 CE1 PHE A 121 5.020 4.286 6.808 1.00 65.22 C ATOM 379 CE2 PHE A 121 5.827 5.953 5.296 1.00 3.05 C ATOM 380 CZ PHE A 121 5.974 5.220 6.457 1.00 2.03 C ATOM 0 H PHE A 121 0.513 3.466 5.352 1.00 53.22 H new ATOM 0 HA PHE A 121 1.427 6.233 4.743 1.00 51.35 H new ATOM 0 HB2 PHE A 121 2.381 3.518 3.786 1.00 72.12 H new ATOM 0 HB3 PHE A 121 2.742 5.005 2.932 1.00 72.12 H new ATOM 0 HD1 PHE A 121 3.180 3.346 6.279 1.00 74.33 H new ATOM 0 HD2 PHE A 121 4.620 6.331 3.580 1.00 3.21 H new ATOM 0 HE1 PHE A 121 5.134 3.714 7.717 1.00 65.22 H new ATOM 0 HE2 PHE A 121 6.573 6.684 5.021 1.00 3.05 H new ATOM 0 HZ PHE A 121 6.835 5.377 7.090 1.00 2.03 H new ATOM 390 N ALA A 122 0.224 6.240 2.444 1.00 5.30 N ATOM 391 CA ALA A 122 -0.864 6.654 1.534 1.00 72.20 C ATOM 392 C ALA A 122 -0.944 5.807 0.249 1.00 11.32 C ATOM 393 O ALA A 122 0.072 5.567 -0.408 1.00 35.25 O ATOM 394 CB ALA A 122 -0.671 8.134 1.175 1.00 25.25 C ATOM 0 H ALA A 122 1.077 6.787 2.327 1.00 5.30 H new ATOM 0 HA ALA A 122 -1.806 6.498 2.059 1.00 72.20 H new ATOM 0 HB1 ALA A 122 -1.468 8.452 0.503 1.00 25.25 H new ATOM 0 HB2 ALA A 122 -0.700 8.736 2.083 1.00 25.25 H new ATOM 0 HB3 ALA A 122 0.293 8.266 0.683 1.00 25.25 H new ATOM 400 N HIS A 123 -2.172 5.393 -0.124 1.00 22.54 N ATOM 401 CA HIS A 123 -2.448 4.697 -1.406 1.00 53.20 C ATOM 402 C HIS A 123 -2.912 5.696 -2.490 1.00 55.44 C ATOM 403 O HIS A 123 -3.690 5.344 -3.381 1.00 51.44 O ATOM 404 CB HIS A 123 -3.495 3.563 -1.186 1.00 71.35 C ATOM 405 CG HIS A 123 -2.984 2.397 -0.373 1.00 13.23 C ATOM 406 ND1 HIS A 123 -3.778 1.387 0.114 1.00 23.42 N ATOM 407 CD2 HIS A 123 -1.722 2.090 0.021 1.00 41.40 C ATOM 408 CE1 HIS A 123 -2.999 0.524 0.765 1.00 13.14 C ATOM 409 NE2 HIS A 123 -1.732 0.904 0.738 1.00 44.12 N ATOM 0 H HIS A 123 -3.003 5.530 0.452 1.00 22.54 H new ATOM 0 HA HIS A 123 -1.524 4.241 -1.762 1.00 53.20 H new ATOM 0 HB2 HIS A 123 -4.369 3.983 -0.689 1.00 71.35 H new ATOM 0 HB3 HIS A 123 -3.826 3.196 -2.158 1.00 71.35 H new ATOM 0 HD1 HIS A 123 -4.788 1.311 -0.003 1.00 23.42 H new ATOM 0 HD2 HIS A 123 -0.843 2.680 -0.192 1.00 41.40 H new ATOM 0 HE1 HIS A 123 -3.356 -0.371 1.252 1.00 13.14 H new ATOM 417 N GLY A 124 -2.396 6.934 -2.423 1.00 64.21 N ATOM 418 CA GLY A 124 -2.675 7.962 -3.425 1.00 52.03 C ATOM 419 C GLY A 124 -2.562 9.366 -2.861 1.00 21.41 C ATOM 420 O GLY A 124 -2.321 9.543 -1.659 1.00 15.32 O ATOM 0 H GLY A 124 -1.777 7.244 -1.674 1.00 64.21 H new ATOM 0 HA2 GLY A 124 -1.981 7.851 -4.258 1.00 52.03 H new ATOM 0 HA3 GLY A 124 -3.678 7.813 -3.824 1.00 52.03 H new ATOM 424 N VAL A 125 -2.747 10.363 -3.745 1.00 4.01 N ATOM 425 CA VAL A 125 -2.695 11.796 -3.386 1.00 60.34 C ATOM 426 C VAL A 125 -3.903 12.198 -2.502 1.00 5.10 C ATOM 427 O VAL A 125 -3.811 13.118 -1.680 1.00 34.03 O ATOM 428 CB VAL A 125 -2.617 12.698 -4.682 1.00 54.44 C ATOM 429 CG1 VAL A 125 -3.870 12.542 -5.578 1.00 42.54 C ATOM 430 CG2 VAL A 125 -2.361 14.186 -4.335 1.00 15.13 C ATOM 0 H VAL A 125 -2.938 10.199 -4.733 1.00 4.01 H new ATOM 0 HA VAL A 125 -1.789 11.961 -2.803 1.00 60.34 H new ATOM 0 HB VAL A 125 -1.762 12.341 -5.256 1.00 54.44 H new ATOM 0 HG11 VAL A 125 -3.771 13.180 -6.456 1.00 42.54 H new ATOM 0 HG12 VAL A 125 -3.965 11.503 -5.894 1.00 42.54 H new ATOM 0 HG13 VAL A 125 -4.758 12.833 -5.016 1.00 42.54 H new ATOM 0 HG21 VAL A 125 -2.314 14.771 -5.254 1.00 15.13 H new ATOM 0 HG22 VAL A 125 -3.172 14.558 -3.708 1.00 15.13 H new ATOM 0 HG23 VAL A 125 -1.417 14.277 -3.798 1.00 15.13 H new ATOM 440 N HIS A 126 -5.022 11.470 -2.670 1.00 74.05 N ATOM 441 CA HIS A 126 -6.254 11.663 -1.878 1.00 3.12 C ATOM 442 C HIS A 126 -6.049 11.185 -0.425 1.00 45.50 C ATOM 443 O HIS A 126 -6.657 11.719 0.501 1.00 41.13 O ATOM 444 CB HIS A 126 -7.440 10.912 -2.545 1.00 12.42 C ATOM 445 CG HIS A 126 -7.259 9.412 -2.641 1.00 21.35 C ATOM 446 ND1 HIS A 126 -6.230 8.859 -3.371 1.00 61.34 N ATOM 447 CD2 HIS A 126 -7.984 8.411 -2.082 1.00 34.32 C ATOM 448 CE1 HIS A 126 -6.352 7.551 -3.235 1.00 21.45 C ATOM 449 NE2 HIS A 126 -7.399 7.235 -2.464 1.00 42.04 N ATOM 0 H HIS A 126 -5.099 10.726 -3.363 1.00 74.05 H new ATOM 0 HA HIS A 126 -6.489 12.727 -1.851 1.00 3.12 H new ATOM 0 HB2 HIS A 126 -8.349 11.120 -1.980 1.00 12.42 H new ATOM 0 HB3 HIS A 126 -7.589 11.312 -3.548 1.00 12.42 H new ATOM 0 HD2 HIS A 126 -8.856 8.521 -1.455 1.00 34.32 H new ATOM 0 HE1 HIS A 126 -5.690 6.828 -3.689 1.00 21.45 H new ATOM 0 HE2 HIS A 126 -7.703 6.295 -2.209 1.00 42.04 H new ATOM 457 N GLU A 127 -5.181 10.171 -0.248 1.00 45.13 N ATOM 458 CA GLU A 127 -4.804 9.641 1.078 1.00 61.25 C ATOM 459 C GLU A 127 -3.706 10.512 1.732 1.00 53.05 C ATOM 460 O GLU A 127 -3.569 10.515 2.958 1.00 11.12 O ATOM 461 CB GLU A 127 -4.316 8.171 0.941 1.00 61.34 C ATOM 462 CG GLU A 127 -5.365 7.175 0.408 1.00 12.20 C ATOM 463 CD GLU A 127 -6.544 6.955 1.375 1.00 51.44 C ATOM 464 OE1 GLU A 127 -6.410 6.133 2.311 1.00 45.00 O ATOM 465 OE2 GLU A 127 -7.605 7.604 1.219 1.00 61.33 O ATOM 0 H GLU A 127 -4.719 9.694 -1.023 1.00 45.13 H new ATOM 0 HA GLU A 127 -5.683 9.668 1.722 1.00 61.25 H new ATOM 0 HB2 GLU A 127 -3.452 8.153 0.277 1.00 61.34 H new ATOM 0 HB3 GLU A 127 -3.975 7.826 1.917 1.00 61.34 H new ATOM 0 HG2 GLU A 127 -5.749 7.538 -0.545 1.00 12.20 H new ATOM 0 HG3 GLU A 127 -4.881 6.218 0.213 1.00 12.20 H new ATOM 472 N LEU A 128 -2.924 11.232 0.892 1.00 42.20 N ATOM 473 CA LEU A 128 -1.820 12.106 1.353 1.00 42.44 C ATOM 474 C LEU A 128 -2.329 13.309 2.174 1.00 30.44 C ATOM 475 O LEU A 128 -3.124 14.119 1.680 1.00 35.33 O ATOM 476 CB LEU A 128 -0.961 12.609 0.150 1.00 31.14 C ATOM 477 CG LEU A 128 0.112 11.613 -0.398 1.00 65.20 C ATOM 478 CD1 LEU A 128 0.797 12.168 -1.668 1.00 24.13 C ATOM 479 CD2 LEU A 128 1.163 11.272 0.692 1.00 74.50 C ATOM 0 H LEU A 128 -3.041 11.223 -0.121 1.00 42.20 H new ATOM 0 HA LEU A 128 -1.196 11.497 2.007 1.00 42.44 H new ATOM 0 HB2 LEU A 128 -1.635 12.870 -0.666 1.00 31.14 H new ATOM 0 HB3 LEU A 128 -0.455 13.526 0.451 1.00 31.14 H new ATOM 0 HG LEU A 128 -0.403 10.692 -0.672 1.00 65.20 H new ATOM 0 HD11 LEU A 128 1.538 11.452 -2.024 1.00 24.13 H new ATOM 0 HD12 LEU A 128 0.048 12.332 -2.443 1.00 24.13 H new ATOM 0 HD13 LEU A 128 1.289 13.112 -1.433 1.00 24.13 H new ATOM 0 HD21 LEU A 128 1.898 10.577 0.284 1.00 74.50 H new ATOM 0 HD22 LEU A 128 1.665 12.185 1.012 1.00 74.50 H new ATOM 0 HD23 LEU A 128 0.665 10.814 1.547 1.00 74.50 H new ATOM 491 N ARG A 129 -1.871 13.388 3.435 1.00 61.53 N ATOM 492 CA ARG A 129 -1.996 14.590 4.278 1.00 35.21 C ATOM 493 C ARG A 129 -0.654 15.331 4.269 1.00 21.23 C ATOM 494 O ARG A 129 0.403 14.707 4.404 1.00 65.43 O ATOM 495 CB ARG A 129 -2.409 14.230 5.746 1.00 73.45 C ATOM 496 CG ARG A 129 -3.930 14.035 5.955 1.00 75.03 C ATOM 497 CD ARG A 129 -4.508 12.774 5.286 1.00 73.21 C ATOM 498 NE ARG A 129 -4.126 11.538 5.998 1.00 70.32 N ATOM 499 CZ ARG A 129 -4.935 10.492 6.211 1.00 22.45 C ATOM 500 NH1 ARG A 129 -6.184 10.490 5.775 1.00 4.41 N ATOM 501 NH2 ARG A 129 -4.487 9.455 6.885 1.00 51.42 N ATOM 0 H ARG A 129 -1.400 12.613 3.902 1.00 61.53 H new ATOM 0 HA ARG A 129 -2.783 15.225 3.872 1.00 35.21 H new ATOM 0 HB2 ARG A 129 -1.894 13.316 6.041 1.00 73.45 H new ATOM 0 HB3 ARG A 129 -2.062 15.020 6.412 1.00 73.45 H new ATOM 0 HG2 ARG A 129 -4.135 13.990 7.025 1.00 75.03 H new ATOM 0 HG3 ARG A 129 -4.453 14.909 5.567 1.00 75.03 H new ATOM 0 HD2 ARG A 129 -5.595 12.850 5.251 1.00 73.21 H new ATOM 0 HD3 ARG A 129 -4.159 12.720 4.255 1.00 73.21 H new ATOM 0 HE ARG A 129 -3.173 11.476 6.355 1.00 70.32 H new ATOM 0 HH11 ARG A 129 -6.548 11.295 5.266 1.00 4.41 H new ATOM 0 HH12 ARG A 129 -6.783 9.683 5.948 1.00 4.41 H new ATOM 0 HH21 ARG A 129 -3.531 9.452 7.240 1.00 51.42 H new ATOM 0 HH22 ARG A 129 -5.096 8.654 7.052 1.00 51.42 H new ATOM 772 N VAL A 145 -7.262 45.129 14.565 1.00 35.45 N ATOM 773 CA VAL A 145 -8.490 45.918 14.788 1.00 30.32 C ATOM 774 C VAL A 145 -8.541 46.354 16.267 1.00 44.10 C ATOM 775 O VAL A 145 -8.124 45.595 17.152 1.00 21.24 O ATOM 776 CB VAL A 145 -9.778 45.081 14.430 1.00 20.34 C ATOM 777 CG1 VAL A 145 -11.073 45.929 14.537 1.00 62.44 C ATOM 778 CG2 VAL A 145 -9.659 44.430 13.030 1.00 11.41 C ATOM 0 HA VAL A 145 -8.470 46.793 14.139 1.00 30.32 H new ATOM 0 HB VAL A 145 -9.850 44.283 15.169 1.00 20.34 H new ATOM 0 HG11 VAL A 145 -11.934 45.312 14.282 1.00 62.44 H new ATOM 0 HG12 VAL A 145 -11.182 46.300 15.556 1.00 62.44 H new ATOM 0 HG13 VAL A 145 -11.014 46.772 13.848 1.00 62.44 H new ATOM 0 HG21 VAL A 145 -10.563 43.861 12.815 1.00 11.41 H new ATOM 0 HG22 VAL A 145 -9.532 45.208 12.277 1.00 11.41 H new ATOM 0 HG23 VAL A 145 -8.797 43.763 13.011 1.00 11.41 H new ATOM 788 N LEU A 146 -9.045 47.579 16.516 1.00 62.21 N ATOM 789 CA LEU A 146 -9.180 48.135 17.877 1.00 22.55 C ATOM 790 C LEU A 146 -10.333 47.457 18.649 1.00 53.31 C ATOM 791 O LEU A 146 -11.263 46.897 18.047 1.00 4.11 O ATOM 792 CB LEU A 146 -9.391 49.676 17.820 1.00 32.14 C ATOM 793 CG LEU A 146 -8.238 50.499 17.155 1.00 2.04 C ATOM 794 CD1 LEU A 146 -8.563 52.011 17.109 1.00 51.21 C ATOM 795 CD2 LEU A 146 -6.886 50.231 17.863 1.00 42.23 C ATOM 0 H LEU A 146 -9.369 48.209 15.782 1.00 62.21 H new ATOM 0 HA LEU A 146 -8.254 47.931 18.414 1.00 22.55 H new ATOM 0 HB2 LEU A 146 -10.315 49.877 17.277 1.00 32.14 H new ATOM 0 HB3 LEU A 146 -9.533 50.042 18.837 1.00 32.14 H new ATOM 0 HG LEU A 146 -8.148 50.162 16.122 1.00 2.04 H new ATOM 0 HD11 LEU A 146 -7.737 52.546 16.640 1.00 51.21 H new ATOM 0 HD12 LEU A 146 -9.473 52.170 16.531 1.00 51.21 H new ATOM 0 HD13 LEU A 146 -8.707 52.383 18.123 1.00 51.21 H new ATOM 0 HD21 LEU A 146 -6.101 50.815 17.382 1.00 42.23 H new ATOM 0 HD22 LEU A 146 -6.961 50.519 18.912 1.00 42.23 H new ATOM 0 HD23 LEU A 146 -6.643 49.171 17.794 1.00 42.23 H new ATOM 807 N CYS A 147 -10.256 47.528 19.985 1.00 3.21 N ATOM 808 CA CYS A 147 -11.204 46.866 20.890 1.00 21.12 C ATOM 809 C CYS A 147 -12.466 47.718 21.045 1.00 14.42 C ATOM 810 O CYS A 147 -12.392 48.853 21.534 1.00 12.15 O ATOM 811 CB CYS A 147 -10.517 46.625 22.251 1.00 31.32 C ATOM 812 SG CYS A 147 -11.420 45.558 23.426 1.00 60.31 S ATOM 0 H CYS A 147 -9.528 48.051 20.471 1.00 3.21 H new ATOM 0 HA CYS A 147 -11.505 45.904 20.476 1.00 21.12 H new ATOM 0 HB2 CYS A 147 -9.538 46.183 22.068 1.00 31.32 H new ATOM 0 HB3 CYS A 147 -10.347 47.591 22.726 1.00 31.32 H new ATOM 0 HG CYS A 147 -11.020 44.328 23.291 1.00 60.31 H new ATOM 817 N ASP A 148 -13.607 47.157 20.597 1.00 35.42 N ATOM 818 CA ASP A 148 -14.932 47.809 20.655 1.00 71.01 C ATOM 819 C ASP A 148 -15.297 48.173 22.098 1.00 33.45 C ATOM 820 O ASP A 148 -15.699 49.299 22.379 1.00 24.21 O ATOM 821 CB ASP A 148 -16.025 46.879 20.059 1.00 44.33 C ATOM 822 CG ASP A 148 -15.743 46.477 18.603 1.00 44.34 C ATOM 823 OD1 ASP A 148 -14.994 45.495 18.377 1.00 23.24 O ATOM 824 OD2 ASP A 148 -16.257 47.148 17.677 1.00 41.55 O ATOM 0 H ASP A 148 -13.635 46.227 20.179 1.00 35.42 H new ATOM 0 HA ASP A 148 -14.881 48.723 20.064 1.00 71.01 H new ATOM 0 HB2 ASP A 148 -16.102 45.980 20.670 1.00 44.33 H new ATOM 0 HB3 ASP A 148 -16.990 47.383 20.111 1.00 44.33 H new ATOM 829 N LYS A 149 -15.114 47.194 23.000 1.00 45.43 N ATOM 830 CA LYS A 149 -15.393 47.340 24.440 1.00 60.31 C ATOM 831 C LYS A 149 -14.572 48.497 25.043 1.00 75.41 C ATOM 832 O LYS A 149 -15.112 49.394 25.693 1.00 14.12 O ATOM 833 CB LYS A 149 -15.057 46.004 25.169 1.00 42.01 C ATOM 834 CG LYS A 149 -15.870 44.776 24.696 1.00 45.33 C ATOM 835 CD LYS A 149 -17.386 44.945 24.927 1.00 31.10 C ATOM 836 CE LYS A 149 -18.194 43.710 24.510 1.00 62.13 C ATOM 837 NZ LYS A 149 -19.643 43.905 24.759 1.00 43.11 N ATOM 0 H LYS A 149 -14.765 46.269 22.748 1.00 45.43 H new ATOM 0 HA LYS A 149 -16.450 47.572 24.573 1.00 60.31 H new ATOM 0 HB2 LYS A 149 -13.996 45.792 25.035 1.00 42.01 H new ATOM 0 HB3 LYS A 149 -15.222 46.140 26.238 1.00 42.01 H new ATOM 0 HG2 LYS A 149 -15.684 44.608 23.635 1.00 45.33 H new ATOM 0 HG3 LYS A 149 -15.522 43.889 25.225 1.00 45.33 H new ATOM 0 HD2 LYS A 149 -17.567 45.152 25.982 1.00 31.10 H new ATOM 0 HD3 LYS A 149 -17.740 45.811 24.367 1.00 31.10 H new ATOM 0 HE2 LYS A 149 -18.029 43.505 23.452 1.00 62.13 H new ATOM 0 HE3 LYS A 149 -17.842 42.839 25.062 1.00 62.13 H new ATOM 0 HZ1 LYS A 149 -20.163 43.053 24.467 1.00 43.11 H new ATOM 0 HZ2 LYS A 149 -19.801 44.077 25.772 1.00 43.11 H new ATOM 0 HZ3 LYS A 149 -19.982 44.722 24.212 1.00 43.11 H new ATOM 851 N PHE A 150 -13.269 48.489 24.736 1.00 72.55 N ATOM 852 CA PHE A 150 -12.294 49.407 25.339 1.00 54.43 C ATOM 853 C PHE A 150 -12.437 50.838 24.760 1.00 52.35 C ATOM 854 O PHE A 150 -12.075 51.810 25.421 1.00 1.04 O ATOM 855 CB PHE A 150 -10.866 48.842 25.115 1.00 35.34 C ATOM 856 CG PHE A 150 -9.772 49.487 25.959 1.00 43.54 C ATOM 857 CD1 PHE A 150 -9.018 50.557 25.478 1.00 45.31 C ATOM 858 CD2 PHE A 150 -9.491 49.008 27.243 1.00 53.20 C ATOM 859 CE1 PHE A 150 -8.025 51.126 26.246 1.00 74.33 C ATOM 860 CE2 PHE A 150 -8.496 49.582 28.009 1.00 42.04 C ATOM 861 CZ PHE A 150 -7.764 50.640 27.510 1.00 40.32 C ATOM 0 H PHE A 150 -12.860 47.844 24.060 1.00 72.55 H new ATOM 0 HA PHE A 150 -12.483 49.483 26.410 1.00 54.43 H new ATOM 0 HB2 PHE A 150 -10.879 47.772 25.323 1.00 35.34 H new ATOM 0 HB3 PHE A 150 -10.607 48.959 24.063 1.00 35.34 H new ATOM 0 HD1 PHE A 150 -9.215 50.945 24.490 1.00 45.31 H new ATOM 0 HD2 PHE A 150 -10.059 48.180 27.640 1.00 53.20 H new ATOM 0 HE1 PHE A 150 -7.450 51.954 25.857 1.00 74.33 H new ATOM 0 HE2 PHE A 150 -8.291 49.203 28.999 1.00 42.04 H new ATOM 0 HZ PHE A 150 -6.986 51.088 28.110 1.00 40.32 H new ATOM 871 N SER A 151 -12.968 50.955 23.529 1.00 52.54 N ATOM 872 CA SER A 151 -13.140 52.258 22.853 1.00 4.33 C ATOM 873 C SER A 151 -14.486 52.919 23.224 1.00 3.04 C ATOM 874 O SER A 151 -14.563 54.149 23.345 1.00 12.54 O ATOM 875 CB SER A 151 -13.027 52.076 21.323 1.00 34.13 C ATOM 876 OG SER A 151 -14.001 51.167 20.837 1.00 12.42 O ATOM 0 H SER A 151 -13.288 50.159 22.978 1.00 52.54 H new ATOM 0 HA SER A 151 -12.347 52.923 23.194 1.00 4.33 H new ATOM 0 HB2 SER A 151 -13.149 53.041 20.830 1.00 34.13 H new ATOM 0 HB3 SER A 151 -12.031 51.713 21.071 1.00 34.13 H new ATOM 0 HG SER A 151 -13.689 50.248 20.976 1.00 12.42 H new ATOM 882 N MET A 152 -15.542 52.095 23.398 1.00 51.31 N ATOM 883 CA MET A 152 -16.913 52.591 23.668 1.00 5.33 C ATOM 884 C MET A 152 -17.119 52.915 25.156 1.00 4.44 C ATOM 885 O MET A 152 -17.619 53.995 25.496 1.00 4.23 O ATOM 886 CB MET A 152 -17.991 51.575 23.192 1.00 41.23 C ATOM 887 CG MET A 152 -18.040 51.351 21.671 1.00 63.10 C ATOM 888 SD MET A 152 -19.399 50.273 21.149 1.00 13.43 S ATOM 889 CE MET A 152 -19.068 48.761 22.062 1.00 60.32 C ATOM 0 H MET A 152 -15.472 51.078 23.356 1.00 51.31 H new ATOM 0 HA MET A 152 -17.029 53.513 23.098 1.00 5.33 H new ATOM 0 HB2 MET A 152 -17.808 50.618 23.680 1.00 41.23 H new ATOM 0 HB3 MET A 152 -18.969 51.922 23.526 1.00 41.23 H new ATOM 0 HG2 MET A 152 -18.138 52.315 21.172 1.00 63.10 H new ATOM 0 HG3 MET A 152 -17.095 50.917 21.344 1.00 63.10 H new ATOM 0 HE1 MET A 152 -19.744 47.976 21.724 1.00 60.32 H new ATOM 0 HE2 MET A 152 -18.037 48.451 21.890 1.00 60.32 H new ATOM 0 HE3 MET A 152 -19.221 48.938 23.127 1.00 60.32 H new ATOM 899 N THR A 153 -16.738 51.977 26.037 1.00 63.14 N ATOM 900 CA THR A 153 -16.957 52.113 27.492 1.00 34.51 C ATOM 901 C THR A 153 -15.683 52.642 28.176 1.00 54.42 C ATOM 902 O THR A 153 -15.749 53.466 29.098 1.00 63.22 O ATOM 903 CB THR A 153 -17.378 50.742 28.132 1.00 31.01 C ATOM 904 OG1 THR A 153 -16.257 49.842 28.156 1.00 74.21 O ATOM 905 CG2 THR A 153 -18.541 50.082 27.356 1.00 13.33 C ATOM 0 H THR A 153 -16.274 51.110 25.768 1.00 63.14 H new ATOM 0 HA THR A 153 -17.768 52.825 27.644 1.00 34.51 H new ATOM 0 HB THR A 153 -17.714 50.947 29.148 1.00 31.01 H new ATOM 0 HG1 THR A 153 -15.987 49.632 27.238 1.00 74.21 H new ATOM 0 HG21 THR A 153 -18.804 49.136 27.829 1.00 13.33 H new ATOM 0 HG22 THR A 153 -19.406 50.745 27.365 1.00 13.33 H new ATOM 0 HG23 THR A 153 -18.234 49.900 26.326 1.00 13.33 H new ATOM 913 N GLY A 154 -14.519 52.162 27.694 1.00 5.20 N ATOM 914 CA GLY A 154 -13.210 52.515 28.260 1.00 64.34 C ATOM 915 C GLY A 154 -12.497 51.318 28.869 1.00 65.32 C ATOM 916 O GLY A 154 -11.290 51.375 29.129 1.00 35.54 O ATOM 0 H GLY A 154 -14.464 51.520 26.903 1.00 5.20 H new ATOM 0 HA2 GLY A 154 -12.585 52.947 27.479 1.00 64.34 H new ATOM 0 HA3 GLY A 154 -13.343 53.282 29.023 1.00 64.34 H new ATOM 920 N ASN A 155 -13.250 50.220 29.097 1.00 64.31 N ATOM 921 CA ASN A 155 -12.738 48.987 29.731 1.00 62.03 C ATOM 922 C ASN A 155 -13.204 47.764 28.924 1.00 11.23 C ATOM 923 O ASN A 155 -14.304 47.764 28.357 1.00 31.41 O ATOM 924 CB ASN A 155 -13.236 48.869 31.203 1.00 21.34 C ATOM 925 CG ASN A 155 -12.779 50.028 32.094 1.00 15.35 C ATOM 926 OD1 ASN A 155 -13.463 51.046 32.212 1.00 31.04 O ATOM 927 ND2 ASN A 155 -11.618 49.890 32.719 1.00 2.31 N ATOM 0 H ASN A 155 -14.237 50.165 28.844 1.00 64.31 H new ATOM 0 HA ASN A 155 -11.649 49.028 29.741 1.00 62.03 H new ATOM 0 HB2 ASN A 155 -14.325 48.824 31.208 1.00 21.34 H new ATOM 0 HB3 ASN A 155 -12.876 47.931 31.626 1.00 21.34 H new ATOM 0 HD21 ASN A 155 -11.269 50.639 33.317 1.00 2.31 H new ATOM 0 HD22 ASN A 155 -11.074 49.035 32.602 1.00 2.31 H new ATOM 934 N CYS A 156 -12.357 46.726 28.887 1.00 2.11 N ATOM 935 CA CYS A 156 -12.629 45.471 28.171 1.00 42.12 C ATOM 936 C CYS A 156 -12.604 44.302 29.172 1.00 64.33 C ATOM 937 O CYS A 156 -11.583 44.063 29.827 1.00 45.13 O ATOM 938 CB CYS A 156 -11.561 45.288 27.069 1.00 10.13 C ATOM 939 SG CYS A 156 -11.708 43.771 26.060 1.00 1.11 S ATOM 0 H CYS A 156 -11.453 46.734 29.359 1.00 2.11 H new ATOM 0 HA CYS A 156 -13.613 45.498 27.703 1.00 42.12 H new ATOM 0 HB2 CYS A 156 -11.603 46.150 26.403 1.00 10.13 H new ATOM 0 HB3 CYS A 156 -10.577 45.295 27.538 1.00 10.13 H new ATOM 0 HG CYS A 156 -12.017 44.091 24.838 1.00 1.11 H new ATOM 944 N LYS A 157 -13.732 43.568 29.262 1.00 41.55 N ATOM 945 CA LYS A 157 -13.917 42.453 30.226 1.00 31.13 C ATOM 946 C LYS A 157 -13.054 41.223 29.859 1.00 63.02 C ATOM 947 O LYS A 157 -12.833 40.336 30.690 1.00 60.51 O ATOM 948 CB LYS A 157 -15.419 42.053 30.295 1.00 4.13 C ATOM 949 CG LYS A 157 -16.004 41.544 28.954 1.00 25.22 C ATOM 950 CD LYS A 157 -17.436 40.975 29.086 1.00 24.32 C ATOM 951 CE LYS A 157 -17.964 40.395 27.759 1.00 45.03 C ATOM 952 NZ LYS A 157 -19.290 39.737 27.906 1.00 74.21 N ATOM 0 H LYS A 157 -14.546 43.729 28.668 1.00 41.55 H new ATOM 0 HA LYS A 157 -13.588 42.804 31.204 1.00 31.13 H new ATOM 0 HB2 LYS A 157 -15.542 41.276 31.050 1.00 4.13 H new ATOM 0 HB3 LYS A 157 -15.998 42.915 30.627 1.00 4.13 H new ATOM 0 HG2 LYS A 157 -16.011 42.363 28.235 1.00 25.22 H new ATOM 0 HG3 LYS A 157 -15.350 40.771 28.550 1.00 25.22 H new ATOM 0 HD2 LYS A 157 -17.445 40.196 29.849 1.00 24.32 H new ATOM 0 HD3 LYS A 157 -18.107 41.763 29.427 1.00 24.32 H new ATOM 0 HE2 LYS A 157 -18.040 41.195 27.023 1.00 45.03 H new ATOM 0 HE3 LYS A 157 -17.246 39.672 27.372 1.00 45.03 H new ATOM 0 HZ1 LYS A 157 -19.597 39.365 26.985 1.00 74.21 H new ATOM 0 HZ2 LYS A 157 -19.216 38.955 28.588 1.00 74.21 H new ATOM 0 HZ3 LYS A 157 -19.985 40.430 28.249 1.00 74.21 H new ATOM 966 N TYR A 158 -12.577 41.194 28.603 1.00 51.54 N ATOM 967 CA TYR A 158 -11.717 40.121 28.064 1.00 1.14 C ATOM 968 C TYR A 158 -10.286 40.218 28.633 1.00 44.25 C ATOM 969 O TYR A 158 -9.535 39.234 28.600 1.00 61.32 O ATOM 970 CB TYR A 158 -11.702 40.212 26.518 1.00 11.23 C ATOM 971 CG TYR A 158 -13.096 40.062 25.871 1.00 13.05 C ATOM 972 CD1 TYR A 158 -13.962 41.156 25.765 1.00 54.22 C ATOM 973 CD2 TYR A 158 -13.552 38.830 25.381 1.00 14.21 C ATOM 974 CE1 TYR A 158 -15.215 41.030 25.205 1.00 21.34 C ATOM 975 CE2 TYR A 158 -14.810 38.705 24.815 1.00 33.23 C ATOM 976 CZ TYR A 158 -15.635 39.806 24.731 1.00 24.03 C ATOM 977 OH TYR A 158 -16.890 39.683 24.170 1.00 34.40 O ATOM 0 H TYR A 158 -12.780 41.925 27.922 1.00 51.54 H new ATOM 0 HA TYR A 158 -12.121 39.155 28.365 1.00 1.14 H new ATOM 0 HB2 TYR A 158 -11.277 41.172 26.224 1.00 11.23 H new ATOM 0 HB3 TYR A 158 -11.044 39.438 26.124 1.00 11.23 H new ATOM 0 HD1 TYR A 158 -13.641 42.121 26.130 1.00 54.22 H new ATOM 0 HD2 TYR A 158 -12.911 37.963 25.446 1.00 14.21 H new ATOM 0 HE1 TYR A 158 -15.866 41.889 25.138 1.00 21.34 H new ATOM 0 HE2 TYR A 158 -15.143 37.748 24.441 1.00 33.23 H new ATOM 0 HH TYR A 158 -17.031 38.756 23.885 1.00 34.40 H new ATOM 987 N GLY A 159 -9.929 41.426 29.127 1.00 55.34 N ATOM 988 CA GLY A 159 -8.656 41.672 29.806 1.00 21.10 C ATOM 989 C GLY A 159 -7.440 41.464 28.914 1.00 53.20 C ATOM 990 O GLY A 159 -7.412 41.956 27.782 1.00 35.34 O ATOM 0 H GLY A 159 -10.523 42.252 29.061 1.00 55.34 H new ATOM 0 HA2 GLY A 159 -8.648 42.694 30.185 1.00 21.10 H new ATOM 0 HA3 GLY A 159 -8.580 41.011 30.669 1.00 21.10 H new ATOM 994 N THR A 160 -6.453 40.710 29.421 1.00 64.33 N ATOM 995 CA THR A 160 -5.189 40.427 28.718 1.00 53.55 C ATOM 996 C THR A 160 -5.392 39.463 27.529 1.00 20.03 C ATOM 997 O THR A 160 -4.576 39.433 26.602 1.00 43.42 O ATOM 998 CB THR A 160 -4.130 39.815 29.693 1.00 73.15 C ATOM 999 OG1 THR A 160 -4.631 38.585 30.253 1.00 40.21 O ATOM 1000 CG2 THR A 160 -3.761 40.784 30.830 1.00 23.31 C ATOM 0 H THR A 160 -6.509 40.274 30.341 1.00 64.33 H new ATOM 0 HA THR A 160 -4.827 41.381 28.335 1.00 53.55 H new ATOM 0 HB THR A 160 -3.227 39.622 29.113 1.00 73.15 H new ATOM 0 HG1 THR A 160 -3.962 38.206 30.861 1.00 40.21 H new ATOM 0 HG21 THR A 160 -3.023 40.316 31.482 1.00 23.31 H new ATOM 0 HG22 THR A 160 -3.344 41.699 30.408 1.00 23.31 H new ATOM 0 HG23 THR A 160 -4.654 41.025 31.407 1.00 23.31 H new ATOM 1008 N ARG A 161 -6.484 38.673 27.576 1.00 73.22 N ATOM 1009 CA ARG A 161 -6.778 37.630 26.568 1.00 72.24 C ATOM 1010 C ARG A 161 -7.669 38.164 25.422 1.00 21.01 C ATOM 1011 O ARG A 161 -8.158 37.384 24.598 1.00 11.21 O ATOM 1012 CB ARG A 161 -7.439 36.410 27.271 1.00 32.23 C ATOM 1013 CG ARG A 161 -6.626 35.781 28.438 1.00 1.10 C ATOM 1014 CD ARG A 161 -5.264 35.186 28.016 1.00 54.03 C ATOM 1015 NE ARG A 161 -4.244 36.214 27.710 1.00 41.24 N ATOM 1016 CZ ARG A 161 -3.313 36.126 26.745 1.00 72.42 C ATOM 1017 NH1 ARG A 161 -3.238 35.055 25.960 1.00 31.32 N ATOM 1018 NH2 ARG A 161 -2.469 37.125 26.560 1.00 44.12 N ATOM 0 H ARG A 161 -7.187 38.739 28.312 1.00 73.22 H new ATOM 0 HA ARG A 161 -5.839 37.319 26.109 1.00 72.24 H new ATOM 0 HB2 ARG A 161 -8.411 36.719 27.655 1.00 32.23 H new ATOM 0 HB3 ARG A 161 -7.622 35.638 26.523 1.00 32.23 H new ATOM 0 HG2 ARG A 161 -6.456 36.543 29.199 1.00 1.10 H new ATOM 0 HG3 ARG A 161 -7.224 34.996 28.901 1.00 1.10 H new ATOM 0 HD2 ARG A 161 -4.893 34.543 28.814 1.00 54.03 H new ATOM 0 HD3 ARG A 161 -5.407 34.555 27.139 1.00 54.03 H new ATOM 0 HE ARG A 161 -4.248 37.060 28.279 1.00 41.24 H new ATOM 0 HH11 ARG A 161 -3.894 34.284 26.086 1.00 31.32 H new ATOM 0 HH12 ARG A 161 -2.525 35.005 25.232 1.00 31.32 H new ATOM 0 HH21 ARG A 161 -2.526 37.957 27.148 1.00 44.12 H new ATOM 0 HH22 ARG A 161 -1.760 37.065 25.829 1.00 44.12 H new ATOM 1032 N CYS A 162 -7.871 39.493 25.389 1.00 71.32 N ATOM 1033 CA CYS A 162 -8.601 40.184 24.313 1.00 34.04 C ATOM 1034 C CYS A 162 -7.848 40.072 22.972 1.00 75.21 C ATOM 1035 O CYS A 162 -6.656 40.383 22.896 1.00 62.32 O ATOM 1036 CB CYS A 162 -8.789 41.664 24.697 1.00 52.12 C ATOM 1037 SG CYS A 162 -9.780 42.646 23.525 1.00 4.13 S ATOM 0 H CYS A 162 -7.529 40.123 26.115 1.00 71.32 H new ATOM 0 HA CYS A 162 -9.575 39.711 24.188 1.00 34.04 H new ATOM 0 HB2 CYS A 162 -9.262 41.712 25.678 1.00 52.12 H new ATOM 0 HB3 CYS A 162 -7.806 42.126 24.794 1.00 52.12 H new ATOM 0 HG CYS A 162 -10.912 42.969 24.078 1.00 4.13 H new ATOM 1042 N GLN A 163 -8.570 39.631 21.923 1.00 5.14 N ATOM 1043 CA GLN A 163 -8.026 39.455 20.552 1.00 41.02 C ATOM 1044 C GLN A 163 -8.032 40.779 19.745 1.00 13.15 C ATOM 1045 O GLN A 163 -7.681 40.790 18.560 1.00 13.24 O ATOM 1046 CB GLN A 163 -8.843 38.361 19.809 1.00 55.55 C ATOM 1047 CG GLN A 163 -10.347 38.680 19.661 1.00 32.25 C ATOM 1048 CD GLN A 163 -11.148 37.561 18.993 1.00 23.43 C ATOM 1049 OE1 GLN A 163 -11.304 37.529 17.771 1.00 4.25 O ATOM 1050 NE2 GLN A 163 -11.664 36.638 19.791 1.00 2.44 N ATOM 0 H GLN A 163 -9.557 39.383 21.999 1.00 5.14 H new ATOM 0 HA GLN A 163 -6.985 39.143 20.640 1.00 41.02 H new ATOM 0 HB2 GLN A 163 -8.415 38.216 18.817 1.00 55.55 H new ATOM 0 HB3 GLN A 163 -8.735 37.417 20.344 1.00 55.55 H new ATOM 0 HG2 GLN A 163 -10.767 38.877 20.647 1.00 32.25 H new ATOM 0 HG3 GLN A 163 -10.460 39.594 19.078 1.00 32.25 H new ATOM 0 HE21 GLN A 163 -11.516 36.694 20.799 1.00 2.44 H new ATOM 0 HE22 GLN A 163 -12.209 35.871 19.398 1.00 2.44 H new ATOM 1059 N PHE A 164 -8.437 41.884 20.396 1.00 50.33 N ATOM 1060 CA PHE A 164 -8.454 43.235 19.801 1.00 20.32 C ATOM 1061 C PHE A 164 -7.481 44.155 20.571 1.00 21.22 C ATOM 1062 O PHE A 164 -7.294 43.988 21.786 1.00 64.21 O ATOM 1063 CB PHE A 164 -9.880 43.825 19.843 1.00 65.51 C ATOM 1064 CG PHE A 164 -10.912 43.110 18.976 1.00 2.21 C ATOM 1065 CD1 PHE A 164 -11.045 43.429 17.625 1.00 54.03 C ATOM 1066 CD2 PHE A 164 -11.758 42.134 19.506 1.00 13.22 C ATOM 1067 CE1 PHE A 164 -11.984 42.797 16.834 1.00 72.34 C ATOM 1068 CE2 PHE A 164 -12.696 41.503 18.712 1.00 64.43 C ATOM 1069 CZ PHE A 164 -12.810 41.834 17.377 1.00 2.04 C ATOM 0 H PHE A 164 -8.766 41.865 21.361 1.00 50.33 H new ATOM 0 HA PHE A 164 -8.138 43.165 18.760 1.00 20.32 H new ATOM 0 HB2 PHE A 164 -10.229 43.814 20.876 1.00 65.51 H new ATOM 0 HB3 PHE A 164 -9.832 44.869 19.534 1.00 65.51 H new ATOM 0 HD1 PHE A 164 -10.404 44.182 17.191 1.00 54.03 H new ATOM 0 HD2 PHE A 164 -11.678 41.869 20.550 1.00 13.22 H new ATOM 0 HE1 PHE A 164 -12.072 43.057 15.789 1.00 72.34 H new ATOM 0 HE2 PHE A 164 -13.342 40.749 19.137 1.00 64.43 H new ATOM 0 HZ PHE A 164 -13.545 41.340 16.758 1.00 2.04 H new ATOM 1079 N ILE A 165 -6.894 45.135 19.851 1.00 12.33 N ATOM 1080 CA ILE A 165 -5.878 46.066 20.399 1.00 54.12 C ATOM 1081 C ILE A 165 -6.523 47.072 21.379 1.00 24.30 C ATOM 1082 O ILE A 165 -7.504 47.739 21.032 1.00 3.41 O ATOM 1083 CB ILE A 165 -5.151 46.880 19.256 1.00 35.15 C ATOM 1084 CG1 ILE A 165 -4.623 45.938 18.125 1.00 51.31 C ATOM 1085 CG2 ILE A 165 -3.999 47.751 19.836 1.00 64.43 C ATOM 1086 CD1 ILE A 165 -3.909 46.654 16.989 1.00 33.33 C ATOM 0 H ILE A 165 -7.111 45.305 18.869 1.00 12.33 H new ATOM 0 HA ILE A 165 -5.145 45.452 20.922 1.00 54.12 H new ATOM 0 HB ILE A 165 -5.889 47.547 18.811 1.00 35.15 H new ATOM 0 HG12 ILE A 165 -3.941 45.211 18.565 1.00 51.31 H new ATOM 0 HG13 ILE A 165 -5.463 45.379 17.714 1.00 51.31 H new ATOM 0 HG21 ILE A 165 -3.516 48.300 19.028 1.00 64.43 H new ATOM 0 HG22 ILE A 165 -4.405 48.456 20.562 1.00 64.43 H new ATOM 0 HG23 ILE A 165 -3.268 47.108 20.325 1.00 64.43 H new ATOM 0 HD11 ILE A 165 -3.577 45.924 16.251 1.00 33.33 H new ATOM 0 HD12 ILE A 165 -4.592 47.361 16.518 1.00 33.33 H new ATOM 0 HD13 ILE A 165 -3.046 47.190 17.383 1.00 33.33 H new ATOM 1098 N HIS A 166 -5.952 47.181 22.592 1.00 53.45 N ATOM 1099 CA HIS A 166 -6.393 48.149 23.611 1.00 42.21 C ATOM 1100 C HIS A 166 -5.608 49.464 23.465 1.00 33.30 C ATOM 1101 O HIS A 166 -4.478 49.585 23.960 1.00 70.20 O ATOM 1102 CB HIS A 166 -6.216 47.565 25.041 1.00 43.41 C ATOM 1103 CG HIS A 166 -7.138 46.421 25.376 1.00 3.33 C ATOM 1104 ND1 HIS A 166 -7.115 45.745 26.572 1.00 12.31 N ATOM 1105 CD2 HIS A 166 -8.159 45.880 24.667 1.00 21.25 C ATOM 1106 CE1 HIS A 166 -8.093 44.840 26.554 1.00 21.32 C ATOM 1107 NE2 HIS A 166 -8.768 44.883 25.413 1.00 64.33 N ATOM 0 H HIS A 166 -5.170 46.599 22.893 1.00 53.45 H new ATOM 0 HA HIS A 166 -7.453 48.353 23.458 1.00 42.21 H new ATOM 0 HB2 HIS A 166 -5.186 47.228 25.155 1.00 43.41 H new ATOM 0 HB3 HIS A 166 -6.373 48.364 25.766 1.00 43.41 H new ATOM 0 HD2 HIS A 166 -8.453 46.180 23.672 1.00 21.25 H new ATOM 0 HE1 HIS A 166 -8.308 44.159 27.364 1.00 21.32 H new ATOM 0 HE2 HIS A 166 -9.564 44.306 25.143 1.00 64.33 H new ATOM 1115 N LYS A 167 -6.194 50.424 22.735 1.00 32.31 N ATOM 1116 CA LYS A 167 -5.677 51.803 22.629 1.00 53.12 C ATOM 1117 C LYS A 167 -6.719 52.779 23.185 1.00 42.24 C ATOM 1118 O LYS A 167 -7.912 52.676 22.853 1.00 70.41 O ATOM 1119 CB LYS A 167 -5.315 52.156 21.158 1.00 61.13 C ATOM 1120 CG LYS A 167 -4.054 51.435 20.633 1.00 73.15 C ATOM 1121 CD LYS A 167 -3.683 51.836 19.187 1.00 22.03 C ATOM 1122 CE LYS A 167 -2.379 51.175 18.702 1.00 22.53 C ATOM 1123 NZ LYS A 167 -1.200 51.601 19.500 1.00 51.52 N ATOM 0 H LYS A 167 -7.046 50.268 22.197 1.00 32.31 H new ATOM 0 HA LYS A 167 -4.762 51.883 23.215 1.00 53.12 H new ATOM 0 HB2 LYS A 167 -6.159 51.904 20.516 1.00 61.13 H new ATOM 0 HB3 LYS A 167 -5.165 53.233 21.080 1.00 61.13 H new ATOM 0 HG2 LYS A 167 -3.215 51.658 21.292 1.00 73.15 H new ATOM 0 HG3 LYS A 167 -4.215 50.358 20.675 1.00 73.15 H new ATOM 0 HD2 LYS A 167 -4.497 51.558 18.517 1.00 22.03 H new ATOM 0 HD3 LYS A 167 -3.579 52.920 19.130 1.00 22.03 H new ATOM 0 HE2 LYS A 167 -2.481 50.091 18.759 1.00 22.53 H new ATOM 0 HE3 LYS A 167 -2.215 51.426 17.654 1.00 22.53 H new ATOM 0 HZ1 LYS A 167 -0.330 51.254 19.047 1.00 51.52 H new ATOM 0 HZ2 LYS A 167 -1.173 52.639 19.552 1.00 51.52 H new ATOM 0 HZ3 LYS A 167 -1.270 51.208 20.460 1.00 51.52 H new