USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 147 CYS SG : rot 97:sc= 2.05 USER MOD Set 1.2: A 156 CYS SG : rot 126:sc= 0.575 USER MOD Set 1.3: A 162 CYS SG : rot -129:sc= 0.91 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 0.492 K(o=4,f=-10!) USER MOD Set 2.1: A 104 CYS SG : rot 106:sc= 1.87 USER MOD Set 2.2: A 113 CYS SG : rot 111:sc= 0.421 USER MOD Set 2.3: A 119 CYS SG : rot -97:sc= 1.29 USER MOD Set 2.4: A 123 HIS : no HD1:sc= 0.585 K(o=4.2,f=-8.9!) USER MOD Single : A 100 LYS NZ :NH3+ -144:sc= 0.296 (180deg=0.00718) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 94:sc=3.98e-05 USER MOD Single : A 108 LYS NZ :NH3+ 163:sc= -2.68! (180deg=-3.32!) USER MOD Single : A 110 SER OG : rot -30:sc= 0.112 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.38) 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 X(o=0,f=-0.46) USER MOD Single : A 126 HIS : no HD1:sc= -0.619 K(o=-0.62,f=-3.7!) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 MET CE :methyl -173:sc= -0.0741 (180deg=-0.165) USER MOD Single : A 153 THR OG1 : rot -50:sc= 1.19 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 :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 167 LYS NZ :NH3+ -172:sc=-0.00673 (180deg=-0.0899) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 1.953 7.904 9.860 1.00 53.14 N ATOM 37 CA PHE A 99 0.607 7.440 9.479 1.00 11.51 C ATOM 38 C PHE A 99 0.184 8.210 8.224 1.00 23.32 C ATOM 39 O PHE A 99 -0.474 9.258 8.314 1.00 70.25 O ATOM 40 CB PHE A 99 -0.426 7.631 10.631 1.00 71.01 C ATOM 41 CG PHE A 99 -1.587 6.633 10.589 1.00 2.14 C ATOM 42 CD1 PHE A 99 -1.549 5.457 11.344 1.00 20.33 C ATOM 43 CD2 PHE A 99 -2.707 6.863 9.791 1.00 30.43 C ATOM 44 CE1 PHE A 99 -2.594 4.555 11.305 1.00 52.22 C ATOM 45 CE2 PHE A 99 -3.749 5.958 9.754 1.00 45.43 C ATOM 46 CZ PHE A 99 -3.692 4.807 10.511 1.00 22.22 C ATOM 0 HA PHE A 99 0.636 6.369 9.276 1.00 11.51 H new ATOM 0 HB2 PHE A 99 0.088 7.537 11.587 1.00 71.01 H new ATOM 0 HB3 PHE A 99 -0.827 8.643 10.583 1.00 71.01 H new ATOM 0 HD1 PHE A 99 -0.691 5.251 11.966 1.00 20.33 H new ATOM 0 HD2 PHE A 99 -2.760 7.761 9.194 1.00 30.43 H new ATOM 0 HE1 PHE A 99 -2.551 3.652 11.896 1.00 52.22 H new ATOM 0 HE2 PHE A 99 -4.610 6.152 9.131 1.00 45.43 H new ATOM 0 HZ PHE A 99 -4.509 4.102 10.482 1.00 22.22 H new ATOM 56 N LYS A 100 0.649 7.705 7.067 1.00 74.01 N ATOM 57 CA LYS A 100 0.352 8.254 5.732 1.00 0.15 C ATOM 58 C LYS A 100 1.010 9.640 5.545 1.00 52.15 C ATOM 59 O LYS A 100 0.540 10.479 4.771 1.00 10.30 O ATOM 60 CB LYS A 100 -1.186 8.255 5.467 1.00 12.51 C ATOM 61 CG LYS A 100 -1.826 6.847 5.567 1.00 20.11 C ATOM 62 CD LYS A 100 -3.345 6.830 5.308 1.00 41.33 C ATOM 63 CE LYS A 100 -4.147 7.646 6.333 1.00 62.51 C ATOM 64 NZ LYS A 100 -5.612 7.476 6.133 1.00 42.21 N ATOM 0 H LYS A 100 1.255 6.885 7.034 1.00 74.01 H new ATOM 0 HA LYS A 100 0.794 7.607 4.974 1.00 0.15 H new ATOM 0 HB2 LYS A 100 -1.671 8.919 6.183 1.00 12.51 H new ATOM 0 HB3 LYS A 100 -1.376 8.663 4.475 1.00 12.51 H new ATOM 0 HG2 LYS A 100 -1.338 6.186 4.851 1.00 20.11 H new ATOM 0 HG3 LYS A 100 -1.632 6.441 6.560 1.00 20.11 H new ATOM 0 HD2 LYS A 100 -3.540 7.222 4.310 1.00 41.33 H new ATOM 0 HD3 LYS A 100 -3.697 5.798 5.320 1.00 41.33 H new ATOM 0 HE2 LYS A 100 -3.877 7.333 7.342 1.00 62.51 H new ATOM 0 HE3 LYS A 100 -3.886 8.701 6.246 1.00 62.51 H new ATOM 0 HZ1 LYS A 100 -6.097 8.374 6.336 1.00 42.21 H new ATOM 0 HZ2 LYS A 100 -5.798 7.197 5.149 1.00 42.21 H new ATOM 0 HZ3 LYS A 100 -5.967 6.739 6.775 1.00 42.21 H new ATOM 78 N THR A 101 2.138 9.833 6.263 1.00 64.25 N ATOM 79 CA THR A 101 3.026 11.002 6.114 1.00 64.45 C ATOM 80 C THR A 101 3.911 10.850 4.862 1.00 13.23 C ATOM 81 O THR A 101 4.403 11.838 4.306 1.00 75.15 O ATOM 82 CB THR A 101 3.928 11.173 7.381 1.00 33.21 C ATOM 83 OG1 THR A 101 4.686 9.968 7.600 1.00 62.52 O ATOM 84 CG2 THR A 101 3.101 11.488 8.642 1.00 52.21 C ATOM 0 H THR A 101 2.459 9.172 6.970 1.00 64.25 H new ATOM 0 HA THR A 101 2.403 11.889 6.003 1.00 64.45 H new ATOM 0 HB THR A 101 4.595 12.015 7.198 1.00 33.21 H new ATOM 0 HG1 THR A 101 5.252 10.077 8.393 1.00 62.52 H new ATOM 0 HG21 THR A 101 3.768 11.598 9.497 1.00 52.21 H new ATOM 0 HG22 THR A 101 2.547 12.415 8.492 1.00 52.21 H new ATOM 0 HG23 THR A 101 2.401 10.674 8.831 1.00 52.21 H new ATOM 92 N ALA A 102 4.095 9.586 4.443 1.00 41.21 N ATOM 93 CA ALA A 102 4.829 9.196 3.230 1.00 44.32 C ATOM 94 C ALA A 102 3.964 8.212 2.423 1.00 22.05 C ATOM 95 O ALA A 102 3.086 7.548 2.995 1.00 43.04 O ATOM 96 CB ALA A 102 6.183 8.563 3.609 1.00 73.02 C ATOM 0 H ALA A 102 3.726 8.785 4.955 1.00 41.21 H new ATOM 0 HA ALA A 102 5.034 10.075 2.618 1.00 44.32 H new ATOM 0 HB1 ALA A 102 6.718 8.278 2.703 1.00 73.02 H new ATOM 0 HB2 ALA A 102 6.778 9.284 4.170 1.00 73.02 H new ATOM 0 HB3 ALA A 102 6.012 7.679 4.223 1.00 73.02 H new ATOM 102 N LEU A 103 4.211 8.127 1.102 1.00 22.31 N ATOM 103 CA LEU A 103 3.471 7.219 0.199 1.00 40.04 C ATOM 104 C LEU A 103 3.863 5.746 0.446 1.00 54.33 C ATOM 105 O LEU A 103 4.969 5.448 0.916 1.00 10.23 O ATOM 106 CB LEU A 103 3.710 7.610 -1.287 1.00 12.44 C ATOM 107 CG LEU A 103 3.118 8.988 -1.734 1.00 24.14 C ATOM 108 CD1 LEU A 103 3.563 9.356 -3.168 1.00 51.00 C ATOM 109 CD2 LEU A 103 1.573 9.005 -1.610 1.00 70.31 C ATOM 0 H LEU A 103 4.925 8.682 0.631 1.00 22.31 H new ATOM 0 HA LEU A 103 2.408 7.323 0.416 1.00 40.04 H new ATOM 0 HB2 LEU A 103 4.784 7.621 -1.472 1.00 12.44 H new ATOM 0 HB3 LEU A 103 3.285 6.831 -1.920 1.00 12.44 H new ATOM 0 HG LEU A 103 3.515 9.746 -1.059 1.00 24.14 H new ATOM 0 HD11 LEU A 103 3.134 10.319 -3.446 1.00 51.00 H new ATOM 0 HD12 LEU A 103 4.651 9.419 -3.207 1.00 51.00 H new ATOM 0 HD13 LEU A 103 3.219 8.591 -3.863 1.00 51.00 H new ATOM 0 HD21 LEU A 103 1.193 9.976 -1.928 1.00 70.31 H new ATOM 0 HD22 LEU A 103 1.149 8.225 -2.242 1.00 70.31 H new ATOM 0 HD23 LEU A 103 1.289 8.826 -0.573 1.00 70.31 H new ATOM 121 N CYS A 104 2.936 4.843 0.105 1.00 51.05 N ATOM 122 CA CYS A 104 3.070 3.400 0.338 1.00 72.32 C ATOM 123 C CYS A 104 3.929 2.757 -0.757 1.00 33.13 C ATOM 124 O CYS A 104 3.555 2.773 -1.932 1.00 73.25 O ATOM 125 CB CYS A 104 1.662 2.778 0.397 1.00 72.00 C ATOM 126 SG CYS A 104 1.579 0.976 0.642 1.00 2.25 S ATOM 0 H CYS A 104 2.058 5.098 -0.348 1.00 51.05 H new ATOM 0 HA CYS A 104 3.576 3.218 1.286 1.00 72.32 H new ATOM 0 HB2 CYS A 104 1.111 3.258 1.206 1.00 72.00 H new ATOM 0 HB3 CYS A 104 1.143 3.020 -0.530 1.00 72.00 H new ATOM 0 HG CYS A 104 1.196 0.721 1.858 1.00 2.25 H new ATOM 131 N ASP A 105 5.086 2.204 -0.347 1.00 71.30 N ATOM 132 CA ASP A 105 6.072 1.576 -1.251 1.00 43.01 C ATOM 133 C ASP A 105 5.453 0.388 -2.014 1.00 71.40 C ATOM 134 O ASP A 105 5.643 0.250 -3.226 1.00 55.43 O ATOM 135 CB ASP A 105 7.317 1.132 -0.437 1.00 53.42 C ATOM 136 CG ASP A 105 8.441 0.522 -1.300 1.00 4.51 C ATOM 137 OD1 ASP A 105 8.800 -0.668 -1.094 1.00 74.13 O ATOM 138 OD2 ASP A 105 8.971 1.234 -2.187 1.00 4.21 O ATOM 0 H ASP A 105 5.367 2.180 0.633 1.00 71.30 H new ATOM 0 HA ASP A 105 6.382 2.309 -1.995 1.00 43.01 H new ATOM 0 HB2 ASP A 105 7.712 1.993 0.102 1.00 53.42 H new ATOM 0 HB3 ASP A 105 7.009 0.401 0.311 1.00 53.42 H new ATOM 143 N ALA A 106 4.667 -0.422 -1.285 1.00 10.52 N ATOM 144 CA ALA A 106 3.931 -1.583 -1.839 1.00 70.52 C ATOM 145 C ALA A 106 2.889 -1.153 -2.895 1.00 33.22 C ATOM 146 O ALA A 106 2.654 -1.856 -3.880 1.00 74.14 O ATOM 147 CB ALA A 106 3.252 -2.354 -0.697 1.00 13.43 C ATOM 0 H ALA A 106 4.520 -0.292 -0.284 1.00 10.52 H new ATOM 0 HA ALA A 106 4.649 -2.231 -2.341 1.00 70.52 H new ATOM 0 HB1 ALA A 106 2.711 -3.208 -1.106 1.00 13.43 H new ATOM 0 HB2 ALA A 106 4.008 -2.706 0.005 1.00 13.43 H new ATOM 0 HB3 ALA A 106 2.554 -1.696 -0.179 1.00 13.43 H new ATOM 153 N TYR A 107 2.285 0.022 -2.670 1.00 22.41 N ATOM 154 CA TYR A 107 1.288 0.620 -3.580 1.00 54.12 C ATOM 155 C TYR A 107 1.966 1.200 -4.843 1.00 14.32 C ATOM 156 O TYR A 107 1.359 1.247 -5.913 1.00 62.31 O ATOM 157 CB TYR A 107 0.497 1.708 -2.807 1.00 30.32 C ATOM 158 CG TYR A 107 -0.465 2.567 -3.645 1.00 71.13 C ATOM 159 CD1 TYR A 107 -1.741 2.114 -3.982 1.00 71.32 C ATOM 160 CD2 TYR A 107 -0.091 3.842 -4.091 1.00 41.33 C ATOM 161 CE1 TYR A 107 -2.600 2.891 -4.730 1.00 31.23 C ATOM 162 CE2 TYR A 107 -0.947 4.617 -4.838 1.00 61.42 C ATOM 163 CZ TYR A 107 -2.200 4.142 -5.154 1.00 61.10 C ATOM 164 OH TYR A 107 -3.058 4.920 -5.901 1.00 54.50 O ATOM 0 H TYR A 107 2.474 0.592 -1.845 1.00 22.41 H new ATOM 0 HA TYR A 107 0.596 -0.150 -3.921 1.00 54.12 H new ATOM 0 HB2 TYR A 107 -0.076 1.221 -2.018 1.00 30.32 H new ATOM 0 HB3 TYR A 107 1.212 2.370 -2.319 1.00 30.32 H new ATOM 0 HD1 TYR A 107 -2.062 1.137 -3.651 1.00 71.32 H new ATOM 0 HD2 TYR A 107 0.889 4.223 -3.843 1.00 41.33 H new ATOM 0 HE1 TYR A 107 -3.583 2.522 -4.983 1.00 31.23 H new ATOM 0 HE2 TYR A 107 -0.637 5.595 -5.176 1.00 61.42 H new ATOM 0 HH TYR A 107 -3.561 5.515 -5.307 1.00 54.50 H new ATOM 174 N LYS A 108 3.220 1.652 -4.707 1.00 55.20 N ATOM 175 CA LYS A 108 3.973 2.251 -5.830 1.00 3.13 C ATOM 176 C LYS A 108 4.585 1.162 -6.741 1.00 22.50 C ATOM 177 O LYS A 108 4.723 1.366 -7.951 1.00 70.10 O ATOM 178 CB LYS A 108 5.066 3.212 -5.290 1.00 72.10 C ATOM 179 CG LYS A 108 4.514 4.426 -4.503 1.00 34.52 C ATOM 180 CD LYS A 108 5.602 5.420 -4.005 1.00 70.23 C ATOM 181 CE LYS A 108 6.536 4.869 -2.898 1.00 44.41 C ATOM 182 NZ LYS A 108 7.535 3.877 -3.400 1.00 12.04 N ATOM 0 H LYS A 108 3.740 1.616 -3.830 1.00 55.20 H new ATOM 0 HA LYS A 108 3.278 2.828 -6.440 1.00 3.13 H new ATOM 0 HB2 LYS A 108 5.740 2.650 -4.643 1.00 72.10 H new ATOM 0 HB3 LYS A 108 5.659 3.577 -6.129 1.00 72.10 H new ATOM 0 HG2 LYS A 108 3.810 4.965 -5.138 1.00 34.52 H new ATOM 0 HG3 LYS A 108 3.952 4.061 -3.643 1.00 34.52 H new ATOM 0 HD2 LYS A 108 6.212 5.724 -4.856 1.00 70.23 H new ATOM 0 HD3 LYS A 108 5.109 6.317 -3.630 1.00 70.23 H new ATOM 0 HE2 LYS A 108 7.064 5.701 -2.432 1.00 44.41 H new ATOM 0 HE3 LYS A 108 5.930 4.402 -2.122 1.00 44.41 H new ATOM 0 HZ1 LYS A 108 8.296 3.766 -2.700 1.00 12.04 H new ATOM 0 HZ2 LYS A 108 7.068 2.960 -3.552 1.00 12.04 H new ATOM 0 HZ3 LYS A 108 7.937 4.213 -4.298 1.00 12.04 H new ATOM 196 N ARG A 109 4.945 0.007 -6.149 1.00 32.41 N ATOM 197 CA ARG A 109 5.603 -1.104 -6.877 1.00 31.13 C ATOM 198 C ARG A 109 4.578 -2.113 -7.435 1.00 14.54 C ATOM 199 O ARG A 109 4.605 -2.445 -8.627 1.00 31.22 O ATOM 200 CB ARG A 109 6.607 -1.820 -5.928 1.00 3.32 C ATOM 201 CG ARG A 109 7.762 -0.915 -5.448 1.00 52.14 C ATOM 202 CD ARG A 109 8.617 -1.560 -4.349 1.00 44.32 C ATOM 203 NE ARG A 109 9.324 -2.778 -4.790 1.00 3.43 N ATOM 204 CZ ARG A 109 9.924 -3.654 -3.963 1.00 21.33 C ATOM 205 NH1 ARG A 109 9.907 -3.468 -2.644 1.00 74.41 N ATOM 206 NH2 ARG A 109 10.546 -4.712 -4.463 1.00 13.15 N ATOM 0 H ARG A 109 4.791 -0.185 -5.159 1.00 32.41 H new ATOM 0 HA ARG A 109 6.137 -0.684 -7.729 1.00 31.13 H new ATOM 0 HB2 ARG A 109 6.067 -2.196 -5.059 1.00 3.32 H new ATOM 0 HB3 ARG A 109 7.025 -2.685 -6.442 1.00 3.32 H new ATOM 0 HG2 ARG A 109 8.399 -0.668 -6.297 1.00 52.14 H new ATOM 0 HG3 ARG A 109 7.350 0.023 -5.076 1.00 52.14 H new ATOM 0 HD2 ARG A 109 9.348 -0.833 -3.996 1.00 44.32 H new ATOM 0 HD3 ARG A 109 7.978 -1.807 -3.501 1.00 44.32 H new ATOM 0 HE ARG A 109 9.360 -2.969 -5.791 1.00 3.43 H new ATOM 0 HH11 ARG A 109 9.435 -2.654 -2.250 1.00 74.41 H new ATOM 0 HH12 ARG A 109 10.366 -4.140 -2.028 1.00 74.41 H new ATOM 0 HH21 ARG A 109 10.569 -4.860 -5.472 1.00 13.15 H new ATOM 0 HH22 ARG A 109 11.002 -5.378 -3.839 1.00 13.15 H new ATOM 220 N SER A 110 3.667 -2.578 -6.565 1.00 11.33 N ATOM 221 CA SER A 110 2.727 -3.682 -6.880 1.00 24.22 C ATOM 222 C SER A 110 1.302 -3.163 -7.163 1.00 74.53 C ATOM 223 O SER A 110 0.467 -3.930 -7.658 1.00 64.12 O ATOM 224 CB SER A 110 2.709 -4.690 -5.696 1.00 50.53 C ATOM 225 OG SER A 110 1.921 -5.846 -5.974 1.00 22.13 O ATOM 0 H SER A 110 3.556 -2.204 -5.623 1.00 11.33 H new ATOM 0 HA SER A 110 3.073 -4.178 -7.787 1.00 24.22 H new ATOM 0 HB2 SER A 110 3.730 -4.996 -5.469 1.00 50.53 H new ATOM 0 HB3 SER A 110 2.320 -4.194 -4.807 1.00 50.53 H new ATOM 0 HG SER A 110 1.194 -5.607 -6.586 1.00 22.13 H new ATOM 231 N GLN A 111 1.048 -1.871 -6.834 1.00 0.42 N ATOM 232 CA GLN A 111 -0.291 -1.223 -6.866 1.00 62.35 C ATOM 233 C GLN A 111 -1.173 -1.739 -5.708 1.00 3.13 C ATOM 234 O GLN A 111 -1.593 -0.959 -4.842 1.00 41.34 O ATOM 235 CB GLN A 111 -1.004 -1.353 -8.246 1.00 65.33 C ATOM 236 CG GLN A 111 -2.341 -0.587 -8.360 1.00 64.12 C ATOM 237 CD GLN A 111 -3.021 -0.724 -9.726 1.00 10.41 C ATOM 238 OE1 GLN A 111 -2.878 -1.739 -10.412 1.00 52.31 O ATOM 239 NE2 GLN A 111 -3.774 0.290 -10.125 1.00 32.12 N ATOM 0 H GLN A 111 1.785 -1.234 -6.532 1.00 0.42 H new ATOM 0 HA GLN A 111 -0.130 -0.154 -6.723 1.00 62.35 H new ATOM 0 HB2 GLN A 111 -0.329 -0.995 -9.023 1.00 65.33 H new ATOM 0 HB3 GLN A 111 -1.188 -2.409 -8.446 1.00 65.33 H new ATOM 0 HG2 GLN A 111 -3.022 -0.947 -7.589 1.00 64.12 H new ATOM 0 HG3 GLN A 111 -2.162 0.469 -8.159 1.00 64.12 H new ATOM 0 HE21 GLN A 111 -3.872 1.116 -9.534 1.00 32.12 H new ATOM 0 HE22 GLN A 111 -4.256 0.245 -11.023 1.00 32.12 H new ATOM 248 N ALA A 112 -1.446 -3.057 -5.706 1.00 30.40 N ATOM 249 CA ALA A 112 -2.135 -3.738 -4.600 1.00 45.34 C ATOM 250 C ALA A 112 -1.215 -3.810 -3.361 1.00 61.13 C ATOM 251 O ALA A 112 -0.163 -4.464 -3.397 1.00 24.14 O ATOM 252 CB ALA A 112 -2.582 -5.145 -5.030 1.00 62.32 C ATOM 0 H ALA A 112 -1.193 -3.679 -6.474 1.00 30.40 H new ATOM 0 HA ALA A 112 -3.024 -3.165 -4.336 1.00 45.34 H new ATOM 0 HB1 ALA A 112 -3.090 -5.635 -4.199 1.00 62.32 H new ATOM 0 HB2 ALA A 112 -3.263 -5.067 -5.877 1.00 62.32 H new ATOM 0 HB3 ALA A 112 -1.710 -5.732 -5.318 1.00 62.32 H new ATOM 258 N CYS A 113 -1.615 -3.108 -2.294 1.00 44.22 N ATOM 259 CA CYS A 113 -0.919 -3.103 -0.997 1.00 30.52 C ATOM 260 C CYS A 113 -1.540 -4.176 -0.083 1.00 12.05 C ATOM 261 O CYS A 113 -2.758 -4.175 0.128 1.00 61.04 O ATOM 262 CB CYS A 113 -1.040 -1.697 -0.372 1.00 21.24 C ATOM 263 SG CYS A 113 -0.384 -1.522 1.323 1.00 34.13 S ATOM 0 H CYS A 113 -2.446 -2.516 -2.306 1.00 44.22 H new ATOM 0 HA CYS A 113 0.138 -3.337 -1.127 1.00 30.52 H new ATOM 0 HB2 CYS A 113 -0.522 -0.987 -1.017 1.00 21.24 H new ATOM 0 HB3 CYS A 113 -2.092 -1.412 -0.365 1.00 21.24 H new ATOM 0 HG CYS A 113 0.684 -0.781 1.301 1.00 34.13 H new ATOM 268 N SER A 114 -0.693 -5.070 0.460 1.00 24.42 N ATOM 269 CA SER A 114 -1.131 -6.234 1.262 1.00 4.30 C ATOM 270 C SER A 114 -1.823 -5.806 2.582 1.00 63.41 C ATOM 271 O SER A 114 -2.734 -6.496 3.060 1.00 50.33 O ATOM 272 CB SER A 114 0.077 -7.149 1.552 1.00 4.43 C ATOM 273 OG SER A 114 0.750 -7.506 0.352 1.00 11.35 O ATOM 0 H SER A 114 0.320 -5.007 0.356 1.00 24.42 H new ATOM 0 HA SER A 114 -1.871 -6.783 0.680 1.00 4.30 H new ATOM 0 HB2 SER A 114 0.769 -6.640 2.223 1.00 4.43 H new ATOM 0 HB3 SER A 114 -0.260 -8.050 2.065 1.00 4.43 H new ATOM 0 HG SER A 114 1.512 -8.084 0.564 1.00 11.35 H new ATOM 279 N TYR A 115 -1.385 -4.663 3.150 1.00 23.23 N ATOM 280 CA TYR A 115 -1.988 -4.090 4.378 1.00 11.15 C ATOM 281 C TYR A 115 -3.380 -3.472 4.093 1.00 4.44 C ATOM 282 O TYR A 115 -4.253 -3.488 4.969 1.00 64.43 O ATOM 283 CB TYR A 115 -1.045 -3.040 5.018 1.00 24.30 C ATOM 284 CG TYR A 115 0.253 -3.616 5.615 1.00 14.45 C ATOM 285 CD1 TYR A 115 0.260 -4.210 6.881 1.00 24.24 C ATOM 286 CD2 TYR A 115 1.465 -3.561 4.924 1.00 5.23 C ATOM 287 CE1 TYR A 115 1.422 -4.724 7.426 1.00 61.21 C ATOM 288 CE2 TYR A 115 2.630 -4.074 5.467 1.00 3.14 C ATOM 289 CZ TYR A 115 2.604 -4.654 6.717 1.00 41.33 C ATOM 290 OH TYR A 115 3.763 -5.172 7.262 1.00 21.11 O ATOM 0 H TYR A 115 -0.611 -4.114 2.777 1.00 23.23 H new ATOM 0 HA TYR A 115 -2.126 -4.907 5.087 1.00 11.15 H new ATOM 0 HB2 TYR A 115 -0.783 -2.299 4.263 1.00 24.30 H new ATOM 0 HB3 TYR A 115 -1.588 -2.516 5.804 1.00 24.30 H new ATOM 0 HD1 TYR A 115 -0.660 -4.268 7.444 1.00 24.24 H new ATOM 0 HD2 TYR A 115 1.494 -3.108 3.944 1.00 5.23 H new ATOM 0 HE1 TYR A 115 1.405 -5.180 8.405 1.00 61.21 H new ATOM 0 HE2 TYR A 115 3.556 -4.020 4.913 1.00 3.14 H new ATOM 0 HH TYR A 115 4.505 -5.043 6.635 1.00 21.11 H new ATOM 300 N GLY A 116 -3.560 -2.930 2.868 1.00 62.11 N ATOM 301 CA GLY A 116 -4.858 -2.408 2.405 1.00 32.10 C ATOM 302 C GLY A 116 -5.405 -1.249 3.247 1.00 22.32 C ATOM 303 O GLY A 116 -4.835 -0.155 3.239 1.00 74.35 O ATOM 0 H GLY A 116 -2.813 -2.844 2.179 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -4.756 -2.075 1.372 1.00 32.10 H new ATOM 0 HA3 GLY A 116 -5.585 -3.220 2.408 1.00 32.10 H new ATOM 307 N ASP A 117 -6.504 -1.507 3.988 1.00 33.13 N ATOM 308 CA ASP A 117 -7.158 -0.498 4.863 1.00 50.11 C ATOM 309 C ASP A 117 -6.282 -0.193 6.088 1.00 52.23 C ATOM 310 O ASP A 117 -6.264 0.934 6.596 1.00 74.40 O ATOM 311 CB ASP A 117 -8.547 -1.000 5.342 1.00 34.20 C ATOM 312 CG ASP A 117 -9.533 -1.244 4.192 1.00 51.42 C ATOM 313 OD1 ASP A 117 -10.316 -0.334 3.847 1.00 73.14 O ATOM 314 OD2 ASP A 117 -9.521 -2.351 3.612 1.00 41.35 O ATOM 0 H ASP A 117 -6.965 -2.417 4.000 1.00 33.13 H new ATOM 0 HA ASP A 117 -7.289 0.412 4.277 1.00 50.11 H new ATOM 0 HB2 ASP A 117 -8.418 -1.925 5.903 1.00 34.20 H new ATOM 0 HB3 ASP A 117 -8.973 -0.268 6.028 1.00 34.20 H new ATOM 319 N GLN A 118 -5.548 -1.224 6.537 1.00 73.23 N ATOM 320 CA GLN A 118 -4.680 -1.164 7.730 1.00 63.10 C ATOM 321 C GLN A 118 -3.244 -0.727 7.366 1.00 30.12 C ATOM 322 O GLN A 118 -2.310 -0.947 8.143 1.00 4.35 O ATOM 323 CB GLN A 118 -4.686 -2.557 8.416 1.00 2.14 C ATOM 324 CG GLN A 118 -6.091 -3.034 8.837 1.00 44.12 C ATOM 325 CD GLN A 118 -6.125 -4.447 9.422 1.00 0.34 C ATOM 326 OE1 GLN A 118 -5.328 -5.311 9.053 1.00 41.23 O ATOM 327 NE2 GLN A 118 -7.056 -4.694 10.331 1.00 63.11 N ATOM 0 H GLN A 118 -5.539 -2.135 6.078 1.00 73.23 H new ATOM 0 HA GLN A 118 -5.067 -0.414 8.419 1.00 63.10 H new ATOM 0 HB2 GLN A 118 -4.252 -3.289 7.735 1.00 2.14 H new ATOM 0 HB3 GLN A 118 -4.045 -2.521 9.297 1.00 2.14 H new ATOM 0 HG2 GLN A 118 -6.493 -2.338 9.574 1.00 44.12 H new ATOM 0 HG3 GLN A 118 -6.750 -2.996 7.970 1.00 44.12 H new ATOM 0 HE21 GLN A 118 -7.701 -3.956 10.614 1.00 63.11 H new ATOM 0 HE22 GLN A 118 -7.128 -5.622 10.748 1.00 63.11 H new ATOM 336 N CYS A 119 -3.083 -0.093 6.186 1.00 62.01 N ATOM 337 CA CYS A 119 -1.796 0.446 5.721 1.00 20.34 C ATOM 338 C CYS A 119 -1.533 1.820 6.357 1.00 60.03 C ATOM 339 O CYS A 119 -2.350 2.741 6.222 1.00 43.42 O ATOM 340 CB CYS A 119 -1.792 0.547 4.181 1.00 33.10 C ATOM 341 SG CYS A 119 -0.204 1.051 3.447 1.00 3.42 S ATOM 0 H CYS A 119 -3.848 0.058 5.529 1.00 62.01 H new ATOM 0 HA CYS A 119 -0.997 -0.230 6.026 1.00 20.34 H new ATOM 0 HB2 CYS A 119 -2.075 -0.421 3.768 1.00 33.10 H new ATOM 0 HB3 CYS A 119 -2.558 1.260 3.877 1.00 33.10 H new ATOM 0 HG CYS A 119 -0.221 2.329 3.211 1.00 3.42 H new ATOM 346 N ARG A 120 -0.388 1.941 7.049 1.00 50.41 N ATOM 347 CA ARG A 120 0.039 3.189 7.718 1.00 12.13 C ATOM 348 C ARG A 120 0.844 4.097 6.760 1.00 42.30 C ATOM 349 O ARG A 120 1.540 5.011 7.207 1.00 30.14 O ATOM 350 CB ARG A 120 0.878 2.849 8.982 1.00 23.03 C ATOM 351 CG ARG A 120 2.176 2.057 8.697 1.00 34.43 C ATOM 352 CD ARG A 120 3.019 1.806 9.956 1.00 11.43 C ATOM 353 NE ARG A 120 3.469 3.066 10.581 1.00 13.11 N ATOM 354 CZ ARG A 120 4.571 3.215 11.333 1.00 64.42 C ATOM 355 NH1 ARG A 120 5.385 2.192 11.581 1.00 61.43 N ATOM 356 NH2 ARG A 120 4.843 4.408 11.845 1.00 65.31 N ATOM 0 H ARG A 120 0.274 1.173 7.163 1.00 50.41 H new ATOM 0 HA ARG A 120 -0.853 3.739 8.018 1.00 12.13 H new ATOM 0 HB2 ARG A 120 1.138 3.777 9.490 1.00 23.03 H new ATOM 0 HB3 ARG A 120 0.259 2.272 9.669 1.00 23.03 H new ATOM 0 HG2 ARG A 120 1.918 1.100 8.243 1.00 34.43 H new ATOM 0 HG3 ARG A 120 2.775 2.604 7.969 1.00 34.43 H new ATOM 0 HD2 ARG A 120 2.434 1.233 10.676 1.00 11.43 H new ATOM 0 HD3 ARG A 120 3.887 1.200 9.696 1.00 11.43 H new ATOM 0 HE ARG A 120 2.893 3.894 10.428 1.00 13.11 H new ATOM 0 HH11 ARG A 120 5.177 1.270 11.197 1.00 61.43 H new ATOM 0 HH12 ARG A 120 6.217 2.330 12.155 1.00 61.43 H new ATOM 0 HH21 ARG A 120 4.219 5.195 11.665 1.00 65.31 H new ATOM 0 HH22 ARG A 120 5.676 4.539 12.419 1.00 65.31 H new ATOM 370 N PHE A 121 0.759 3.825 5.443 1.00 61.44 N ATOM 371 CA PHE A 121 1.375 4.656 4.392 1.00 32.43 C ATOM 372 C PHE A 121 0.342 4.923 3.277 1.00 24.22 C ATOM 373 O PHE A 121 -0.526 4.083 3.003 1.00 15.04 O ATOM 374 CB PHE A 121 2.663 3.994 3.841 1.00 61.32 C ATOM 375 CG PHE A 121 3.799 3.897 4.863 1.00 40.44 C ATOM 376 CD1 PHE A 121 4.188 2.669 5.407 1.00 2.20 C ATOM 377 CD2 PHE A 121 4.459 5.049 5.298 1.00 41.01 C ATOM 378 CE1 PHE A 121 5.197 2.600 6.351 1.00 11.44 C ATOM 379 CE2 PHE A 121 5.469 4.976 6.239 1.00 42.43 C ATOM 380 CZ PHE A 121 5.838 3.752 6.765 1.00 45.30 C ATOM 0 H PHE A 121 0.257 3.016 5.077 1.00 61.44 H new ATOM 0 HA PHE A 121 1.674 5.613 4.820 1.00 32.43 H new ATOM 0 HB2 PHE A 121 2.421 2.992 3.486 1.00 61.32 H new ATOM 0 HB3 PHE A 121 3.011 4.563 2.979 1.00 61.32 H new ATOM 0 HD1 PHE A 121 3.695 1.763 5.086 1.00 2.20 H new ATOM 0 HD2 PHE A 121 4.176 6.010 4.894 1.00 41.01 H new ATOM 0 HE1 PHE A 121 5.484 1.645 6.765 1.00 11.44 H new ATOM 0 HE2 PHE A 121 5.970 5.876 6.563 1.00 42.43 H new ATOM 0 HZ PHE A 121 6.628 3.696 7.500 1.00 45.30 H new ATOM 390 N ALA A 122 0.479 6.092 2.635 1.00 44.32 N ATOM 391 CA ALA A 122 -0.568 6.712 1.804 1.00 33.14 C ATOM 392 C ALA A 122 -0.763 6.026 0.433 1.00 41.40 C ATOM 393 O ALA A 122 0.200 5.794 -0.300 1.00 70.14 O ATOM 394 CB ALA A 122 -0.233 8.197 1.617 1.00 23.45 C ATOM 0 H ALA A 122 1.335 6.645 2.678 1.00 44.32 H new ATOM 0 HA ALA A 122 -1.515 6.590 2.329 1.00 33.14 H new ATOM 0 HB1 ALA A 122 -1.000 8.669 1.003 1.00 23.45 H new ATOM 0 HB2 ALA A 122 -0.195 8.687 2.590 1.00 23.45 H new ATOM 0 HB3 ALA A 122 0.735 8.292 1.125 1.00 23.45 H new ATOM 400 N HIS A 123 -2.035 5.734 0.093 1.00 72.14 N ATOM 401 CA HIS A 123 -2.436 5.164 -1.217 1.00 41.10 C ATOM 402 C HIS A 123 -2.957 6.275 -2.158 1.00 11.15 C ATOM 403 O HIS A 123 -3.852 6.049 -2.987 1.00 35.21 O ATOM 404 CB HIS A 123 -3.508 4.054 -0.998 1.00 70.35 C ATOM 405 CG HIS A 123 -3.018 2.846 -0.238 1.00 3.14 C ATOM 406 ND1 HIS A 123 -3.837 1.851 0.228 1.00 74.51 N ATOM 407 CD2 HIS A 123 -1.759 2.482 0.113 1.00 44.21 C ATOM 408 CE1 HIS A 123 -3.077 0.940 0.836 1.00 10.52 C ATOM 409 NE2 HIS A 123 -1.793 1.272 0.794 1.00 22.05 N ATOM 0 H HIS A 123 -2.822 5.887 0.723 1.00 72.14 H new ATOM 0 HA HIS A 123 -1.566 4.714 -1.695 1.00 41.10 H new ATOM 0 HB2 HIS A 123 -4.354 4.485 -0.462 1.00 70.35 H new ATOM 0 HB3 HIS A 123 -3.879 3.729 -1.970 1.00 70.35 H new ATOM 0 HD2 HIS A 123 -0.865 3.048 -0.104 1.00 44.21 H new ATOM 0 HE1 HIS A 123 -3.458 0.044 1.304 1.00 10.52 H new ATOM 0 HE2 HIS A 123 -1.004 0.752 1.178 1.00 22.05 H new ATOM 417 N GLY A 124 -2.352 7.468 -2.039 1.00 60.32 N ATOM 418 CA GLY A 124 -2.701 8.624 -2.866 1.00 3.12 C ATOM 419 C GLY A 124 -2.434 9.933 -2.145 1.00 52.40 C ATOM 420 O GLY A 124 -2.081 9.927 -0.960 1.00 50.21 O ATOM 0 H GLY A 124 -1.608 7.653 -1.366 1.00 60.32 H new ATOM 0 HA2 GLY A 124 -2.127 8.595 -3.792 1.00 3.12 H new ATOM 0 HA3 GLY A 124 -3.754 8.569 -3.142 1.00 3.12 H new ATOM 424 N VAL A 125 -2.617 11.062 -2.858 1.00 50.23 N ATOM 425 CA VAL A 125 -2.411 12.421 -2.300 1.00 34.34 C ATOM 426 C VAL A 125 -3.526 12.755 -1.287 1.00 63.43 C ATOM 427 O VAL A 125 -3.305 13.495 -0.316 1.00 61.44 O ATOM 428 CB VAL A 125 -2.380 13.513 -3.438 1.00 64.23 C ATOM 429 CG1 VAL A 125 -1.959 14.906 -2.896 1.00 43.30 C ATOM 430 CG2 VAL A 125 -1.473 13.070 -4.604 1.00 35.42 C ATOM 0 H VAL A 125 -2.911 11.062 -3.835 1.00 50.23 H new ATOM 0 HA VAL A 125 -1.446 12.429 -1.794 1.00 34.34 H new ATOM 0 HB VAL A 125 -3.396 13.613 -3.819 1.00 64.23 H new ATOM 0 HG11 VAL A 125 -1.951 15.627 -3.713 1.00 43.30 H new ATOM 0 HG12 VAL A 125 -2.668 15.229 -2.134 1.00 43.30 H new ATOM 0 HG13 VAL A 125 -0.962 14.841 -2.460 1.00 43.30 H new ATOM 0 HG21 VAL A 125 -1.469 13.840 -5.375 1.00 35.42 H new ATOM 0 HG22 VAL A 125 -0.458 12.918 -4.238 1.00 35.42 H new ATOM 0 HG23 VAL A 125 -1.850 12.138 -5.025 1.00 35.42 H new ATOM 440 N HIS A 126 -4.716 12.173 -1.526 1.00 62.25 N ATOM 441 CA HIS A 126 -5.880 12.313 -0.636 1.00 55.41 C ATOM 442 C HIS A 126 -5.610 11.641 0.731 1.00 32.23 C ATOM 443 O HIS A 126 -6.092 12.104 1.769 1.00 50.53 O ATOM 444 CB HIS A 126 -7.149 11.723 -1.311 1.00 2.42 C ATOM 445 CG HIS A 126 -7.078 10.240 -1.606 1.00 31.10 C ATOM 446 ND1 HIS A 126 -6.127 9.726 -2.453 1.00 22.21 N ATOM 447 CD2 HIS A 126 -7.841 9.220 -1.137 1.00 62.44 C ATOM 448 CE1 HIS A 126 -6.330 8.423 -2.478 1.00 25.00 C ATOM 449 NE2 HIS A 126 -7.357 8.069 -1.695 1.00 54.11 N ATOM 0 H HIS A 126 -4.896 11.591 -2.344 1.00 62.25 H new ATOM 0 HA HIS A 126 -6.053 13.374 -0.455 1.00 55.41 H new ATOM 0 HB2 HIS A 126 -8.007 11.910 -0.666 1.00 2.42 H new ATOM 0 HB3 HIS A 126 -7.329 12.257 -2.244 1.00 2.42 H new ATOM 0 HD2 HIS A 126 -8.673 9.302 -0.453 1.00 62.44 H new ATOM 0 HE1 HIS A 126 -5.741 7.728 -3.058 1.00 25.00 H new ATOM 0 HE2 HIS A 126 -7.710 7.124 -1.544 1.00 54.11 H new ATOM 457 N GLU A 127 -4.830 10.542 0.698 1.00 12.14 N ATOM 458 CA GLU A 127 -4.380 9.820 1.904 1.00 1.33 C ATOM 459 C GLU A 127 -3.133 10.486 2.515 1.00 73.44 C ATOM 460 O GLU A 127 -2.876 10.346 3.712 1.00 24.32 O ATOM 461 CB GLU A 127 -4.049 8.344 1.542 1.00 44.33 C ATOM 462 CG GLU A 127 -5.244 7.500 1.067 1.00 3.22 C ATOM 463 CD GLU A 127 -6.336 7.346 2.141 1.00 45.30 C ATOM 464 OE1 GLU A 127 -6.097 6.635 3.144 1.00 31.40 O ATOM 465 OE2 GLU A 127 -7.431 7.928 1.992 1.00 61.01 O ATOM 0 H GLU A 127 -4.493 10.128 -0.171 1.00 12.14 H new ATOM 0 HA GLU A 127 -5.186 9.851 2.637 1.00 1.33 H new ATOM 0 HB2 GLU A 127 -3.289 8.340 0.760 1.00 44.33 H new ATOM 0 HB3 GLU A 127 -3.610 7.863 2.416 1.00 44.33 H new ATOM 0 HG2 GLU A 127 -5.677 7.961 0.179 1.00 3.22 H new ATOM 0 HG3 GLU A 127 -4.890 6.512 0.772 1.00 3.22 H new ATOM 472 N LEU A 128 -2.368 11.203 1.673 1.00 2.24 N ATOM 473 CA LEU A 128 -1.057 11.764 2.041 1.00 10.31 C ATOM 474 C LEU A 128 -1.208 13.096 2.794 1.00 74.02 C ATOM 475 O LEU A 128 -1.661 14.093 2.221 1.00 31.33 O ATOM 476 CB LEU A 128 -0.204 11.960 0.756 1.00 12.31 C ATOM 477 CG LEU A 128 1.251 12.493 0.953 1.00 22.03 C ATOM 478 CD1 LEU A 128 2.094 11.527 1.810 1.00 54.22 C ATOM 479 CD2 LEU A 128 1.935 12.770 -0.405 1.00 61.23 C ATOM 0 H LEU A 128 -2.644 11.410 0.713 1.00 2.24 H new ATOM 0 HA LEU A 128 -0.555 11.066 2.711 1.00 10.31 H new ATOM 0 HB2 LEU A 128 -0.148 11.004 0.236 1.00 12.31 H new ATOM 0 HB3 LEU A 128 -0.733 12.650 0.099 1.00 12.31 H new ATOM 0 HG LEU A 128 1.182 13.438 1.491 1.00 22.03 H new ATOM 0 HD11 LEU A 128 3.101 11.928 1.927 1.00 54.22 H new ATOM 0 HD12 LEU A 128 1.632 11.413 2.791 1.00 54.22 H new ATOM 0 HD13 LEU A 128 2.146 10.555 1.319 1.00 54.22 H new ATOM 0 HD21 LEU A 128 2.946 13.140 -0.234 1.00 61.23 H new ATOM 0 HD22 LEU A 128 1.979 11.848 -0.985 1.00 61.23 H new ATOM 0 HD23 LEU A 128 1.363 13.518 -0.955 1.00 61.23 H new ATOM 491 N ARG A 129 -0.837 13.089 4.086 1.00 70.30 N ATOM 492 CA ARG A 129 -0.664 14.312 4.889 1.00 72.12 C ATOM 493 C ARG A 129 0.795 14.339 5.346 1.00 71.12 C ATOM 494 O ARG A 129 1.160 13.643 6.300 1.00 71.35 O ATOM 495 CB ARG A 129 -1.600 14.393 6.141 1.00 42.44 C ATOM 496 CG ARG A 129 -3.124 14.258 5.892 1.00 72.42 C ATOM 497 CD ARG A 129 -3.572 12.803 5.666 1.00 61.45 C ATOM 498 NE ARG A 129 -3.056 11.900 6.723 1.00 31.54 N ATOM 499 CZ ARG A 129 -3.795 11.086 7.489 1.00 61.20 C ATOM 500 NH1 ARG A 129 -5.119 11.024 7.353 1.00 63.34 N ATOM 501 NH2 ARG A 129 -3.194 10.333 8.403 1.00 41.24 N ATOM 0 H ARG A 129 -0.648 12.231 4.605 1.00 70.30 H new ATOM 0 HA ARG A 129 -0.932 15.166 4.267 1.00 72.12 H new ATOM 0 HB2 ARG A 129 -1.300 13.611 6.839 1.00 42.44 H new ATOM 0 HB3 ARG A 129 -1.421 15.347 6.636 1.00 42.44 H new ATOM 0 HG2 ARG A 129 -3.663 14.670 6.745 1.00 72.42 H new ATOM 0 HG3 ARG A 129 -3.398 14.856 5.023 1.00 72.42 H new ATOM 0 HD2 ARG A 129 -4.661 12.756 5.647 1.00 61.45 H new ATOM 0 HD3 ARG A 129 -3.221 12.461 4.692 1.00 61.45 H new ATOM 0 HE ARG A 129 -2.048 11.898 6.881 1.00 31.54 H new ATOM 0 HH11 ARG A 129 -5.588 11.603 6.656 1.00 63.34 H new ATOM 0 HH12 ARG A 129 -5.664 10.398 7.946 1.00 63.34 H new ATOM 0 HH21 ARG A 129 -2.181 10.378 8.516 1.00 41.24 H new ATOM 0 HH22 ARG A 129 -3.745 9.709 8.992 1.00 41.24 H new ATOM 772 N VAL A 145 9.320 43.024 -6.582 1.00 14.30 N ATOM 773 CA VAL A 145 8.590 43.702 -7.667 1.00 54.51 C ATOM 774 C VAL A 145 9.604 44.400 -8.601 1.00 60.33 C ATOM 775 O VAL A 145 10.698 44.797 -8.159 1.00 30.13 O ATOM 776 CB VAL A 145 7.571 44.759 -7.070 1.00 72.30 C ATOM 777 CG1 VAL A 145 6.709 45.435 -8.166 1.00 21.10 C ATOM 778 CG2 VAL A 145 6.675 44.115 -5.979 1.00 2.45 C ATOM 0 HA VAL A 145 8.021 42.966 -8.236 1.00 54.51 H new ATOM 0 HB VAL A 145 8.168 45.544 -6.607 1.00 72.30 H new ATOM 0 HG11 VAL A 145 6.028 46.150 -7.704 1.00 21.10 H new ATOM 0 HG12 VAL A 145 7.358 45.955 -8.870 1.00 21.10 H new ATOM 0 HG13 VAL A 145 6.133 44.676 -8.696 1.00 21.10 H new ATOM 0 HG21 VAL A 145 5.985 44.862 -5.587 1.00 2.45 H new ATOM 0 HG22 VAL A 145 6.109 43.291 -6.413 1.00 2.45 H new ATOM 0 HG23 VAL A 145 7.301 43.738 -5.170 1.00 2.45 H new ATOM 788 N LEU A 146 9.242 44.525 -9.893 1.00 0.00 N ATOM 789 CA LEU A 146 10.040 45.267 -10.888 1.00 60.41 C ATOM 790 C LEU A 146 9.969 46.785 -10.615 1.00 22.05 C ATOM 791 O LEU A 146 9.049 47.267 -9.936 1.00 63.14 O ATOM 792 CB LEU A 146 9.538 44.954 -12.326 1.00 2.12 C ATOM 793 CG LEU A 146 9.602 43.454 -12.765 1.00 23.31 C ATOM 794 CD1 LEU A 146 9.014 43.253 -14.181 1.00 5.14 C ATOM 795 CD2 LEU A 146 11.043 42.903 -12.676 1.00 33.41 C ATOM 0 H LEU A 146 8.390 44.115 -10.275 1.00 0.00 H new ATOM 0 HA LEU A 146 11.079 44.948 -10.804 1.00 60.41 H new ATOM 0 HB2 LEU A 146 8.505 45.293 -12.410 1.00 2.12 H new ATOM 0 HB3 LEU A 146 10.125 45.543 -13.030 1.00 2.12 H new ATOM 0 HG LEU A 146 8.986 42.885 -12.069 1.00 23.31 H new ATOM 0 HD11 LEU A 146 9.075 42.199 -14.454 1.00 5.14 H new ATOM 0 HD12 LEU A 146 7.971 43.571 -14.191 1.00 5.14 H new ATOM 0 HD13 LEU A 146 9.581 43.847 -14.898 1.00 5.14 H new ATOM 0 HD21 LEU A 146 11.053 41.859 -12.988 1.00 33.41 H new ATOM 0 HD22 LEU A 146 11.695 43.483 -13.329 1.00 33.41 H new ATOM 0 HD23 LEU A 146 11.399 42.978 -11.648 1.00 33.41 H new ATOM 807 N CYS A 147 10.947 47.523 -11.159 1.00 73.43 N ATOM 808 CA CYS A 147 11.027 48.979 -11.006 1.00 23.35 C ATOM 809 C CYS A 147 9.967 49.637 -11.903 1.00 60.35 C ATOM 810 O CYS A 147 10.066 49.569 -13.131 1.00 12.33 O ATOM 811 CB CYS A 147 12.458 49.433 -11.368 1.00 21.33 C ATOM 812 SG CYS A 147 12.884 51.162 -10.967 1.00 34.53 S ATOM 0 H CYS A 147 11.703 47.126 -11.717 1.00 73.43 H new ATOM 0 HA CYS A 147 10.824 49.281 -9.978 1.00 23.35 H new ATOM 0 HB2 CYS A 147 13.164 48.779 -10.856 1.00 21.33 H new ATOM 0 HB3 CYS A 147 12.604 49.284 -12.438 1.00 21.33 H new ATOM 0 HG CYS A 147 13.505 51.202 -9.826 1.00 34.53 H new ATOM 817 N ASP A 148 8.959 50.265 -11.268 1.00 54.11 N ATOM 818 CA ASP A 148 7.799 50.858 -11.966 1.00 65.30 C ATOM 819 C ASP A 148 8.202 52.111 -12.755 1.00 3.25 C ATOM 820 O ASP A 148 7.647 52.376 -13.815 1.00 20.24 O ATOM 821 CB ASP A 148 6.649 51.180 -10.970 1.00 25.54 C ATOM 822 CG ASP A 148 7.065 52.124 -9.828 1.00 31.22 C ATOM 823 OD1 ASP A 148 6.799 53.343 -9.904 1.00 33.13 O ATOM 824 OD2 ASP A 148 7.680 51.645 -8.850 1.00 25.12 O ATOM 0 H ASP A 148 8.925 50.376 -10.255 1.00 54.11 H new ATOM 0 HA ASP A 148 7.433 50.118 -12.678 1.00 65.30 H new ATOM 0 HB2 ASP A 148 5.821 51.630 -11.518 1.00 25.54 H new ATOM 0 HB3 ASP A 148 6.279 50.248 -10.542 1.00 25.54 H new ATOM 829 N LYS A 149 9.183 52.859 -12.230 1.00 33.54 N ATOM 830 CA LYS A 149 9.771 54.026 -12.917 1.00 50.02 C ATOM 831 C LYS A 149 10.459 53.575 -14.222 1.00 42.32 C ATOM 832 O LYS A 149 10.185 54.099 -15.304 1.00 2.34 O ATOM 833 CB LYS A 149 10.793 54.721 -11.979 1.00 35.15 C ATOM 834 CG LYS A 149 10.245 55.190 -10.599 1.00 71.21 C ATOM 835 CD LYS A 149 9.409 56.508 -10.634 1.00 41.22 C ATOM 836 CE LYS A 149 7.950 56.324 -11.087 1.00 71.30 C ATOM 837 NZ LYS A 149 7.154 57.570 -10.939 1.00 54.32 N ATOM 0 H LYS A 149 9.594 52.674 -11.315 1.00 33.54 H new ATOM 0 HA LYS A 149 8.982 54.735 -13.167 1.00 50.02 H new ATOM 0 HB2 LYS A 149 11.621 54.034 -11.804 1.00 35.15 H new ATOM 0 HB3 LYS A 149 11.202 55.588 -12.499 1.00 35.15 H new ATOM 0 HG2 LYS A 149 9.626 54.396 -10.182 1.00 71.21 H new ATOM 0 HG3 LYS A 149 11.086 55.329 -9.919 1.00 71.21 H new ATOM 0 HD2 LYS A 149 9.414 56.954 -9.639 1.00 41.22 H new ATOM 0 HD3 LYS A 149 9.898 57.216 -11.303 1.00 41.22 H new ATOM 0 HE2 LYS A 149 7.933 56.006 -12.129 1.00 71.30 H new ATOM 0 HE3 LYS A 149 7.488 55.528 -10.503 1.00 71.30 H new ATOM 0 HZ1 LYS A 149 6.178 57.398 -11.256 1.00 54.32 H new ATOM 0 HZ2 LYS A 149 7.147 57.861 -9.941 1.00 54.32 H new ATOM 0 HZ3 LYS A 149 7.578 58.324 -11.517 1.00 54.32 H new ATOM 851 N PHE A 150 11.306 52.541 -14.080 1.00 14.43 N ATOM 852 CA PHE A 150 12.079 51.935 -15.183 1.00 24.54 C ATOM 853 C PHE A 150 11.150 51.211 -16.190 1.00 11.43 C ATOM 854 O PHE A 150 11.532 50.967 -17.334 1.00 51.11 O ATOM 855 CB PHE A 150 13.126 50.962 -14.577 1.00 13.41 C ATOM 856 CG PHE A 150 14.163 50.403 -15.553 1.00 64.42 C ATOM 857 CD1 PHE A 150 15.165 51.224 -16.070 1.00 40.14 C ATOM 858 CD2 PHE A 150 14.148 49.058 -15.937 1.00 54.41 C ATOM 859 CE1 PHE A 150 16.115 50.722 -16.938 1.00 31.02 C ATOM 860 CE2 PHE A 150 15.099 48.562 -16.809 1.00 50.23 C ATOM 861 CZ PHE A 150 16.082 49.392 -17.306 1.00 1.22 C ATOM 0 H PHE A 150 11.477 52.093 -13.180 1.00 14.43 H new ATOM 0 HA PHE A 150 12.593 52.718 -15.741 1.00 24.54 H new ATOM 0 HB2 PHE A 150 13.652 51.479 -13.775 1.00 13.41 H new ATOM 0 HB3 PHE A 150 12.595 50.125 -14.122 1.00 13.41 H new ATOM 0 HD1 PHE A 150 15.199 52.266 -15.788 1.00 40.14 H new ATOM 0 HD2 PHE A 150 13.385 48.400 -15.548 1.00 54.41 H new ATOM 0 HE1 PHE A 150 16.885 51.371 -17.329 1.00 31.02 H new ATOM 0 HE2 PHE A 150 15.072 47.523 -17.102 1.00 50.23 H new ATOM 0 HZ PHE A 150 16.827 49.001 -17.984 1.00 1.22 H new ATOM 871 N SER A 151 9.941 50.846 -15.733 1.00 33.23 N ATOM 872 CA SER A 151 8.933 50.170 -16.566 1.00 55.12 C ATOM 873 C SER A 151 8.096 51.181 -17.381 1.00 44.13 C ATOM 874 O SER A 151 7.854 50.967 -18.571 1.00 41.35 O ATOM 875 CB SER A 151 8.013 49.305 -15.674 1.00 50.01 C ATOM 876 OG SER A 151 7.085 48.559 -16.445 1.00 43.33 O ATOM 0 H SER A 151 9.635 51.012 -14.774 1.00 33.23 H new ATOM 0 HA SER A 151 9.455 49.530 -17.277 1.00 55.12 H new ATOM 0 HB2 SER A 151 8.620 48.625 -15.077 1.00 50.01 H new ATOM 0 HB3 SER A 151 7.474 49.947 -14.977 1.00 50.01 H new ATOM 0 HG SER A 151 6.521 48.023 -15.849 1.00 43.33 H new ATOM 882 N MET A 152 7.657 52.278 -16.729 1.00 70.54 N ATOM 883 CA MET A 152 6.691 53.240 -17.321 1.00 3.25 C ATOM 884 C MET A 152 7.386 54.260 -18.235 1.00 34.53 C ATOM 885 O MET A 152 6.925 54.511 -19.353 1.00 32.41 O ATOM 886 CB MET A 152 5.890 53.973 -16.210 1.00 55.41 C ATOM 887 CG MET A 152 4.939 53.067 -15.414 1.00 33.52 C ATOM 888 SD MET A 152 3.956 53.959 -14.184 1.00 12.20 S ATOM 889 CE MET A 152 5.212 54.542 -13.039 1.00 3.52 C ATOM 0 H MET A 152 7.956 52.525 -15.786 1.00 70.54 H new ATOM 0 HA MET A 152 5.998 52.663 -17.933 1.00 3.25 H new ATOM 0 HB2 MET A 152 6.593 54.439 -15.519 1.00 55.41 H new ATOM 0 HB3 MET A 152 5.311 54.776 -16.666 1.00 55.41 H new ATOM 0 HG2 MET A 152 4.267 52.560 -16.107 1.00 33.52 H new ATOM 0 HG3 MET A 152 5.521 52.294 -14.912 1.00 33.52 H new ATOM 0 HE1 MET A 152 4.732 54.997 -12.173 1.00 3.52 H new ATOM 0 HE2 MET A 152 5.826 53.702 -12.714 1.00 3.52 H new ATOM 0 HE3 MET A 152 5.841 55.281 -13.535 1.00 3.52 H new ATOM 899 N THR A 153 8.495 54.841 -17.755 1.00 23.04 N ATOM 900 CA THR A 153 9.252 55.862 -18.508 1.00 55.40 C ATOM 901 C THR A 153 10.419 55.208 -19.263 1.00 32.45 C ATOM 902 O THR A 153 10.898 55.745 -20.266 1.00 13.24 O ATOM 903 CB THR A 153 9.802 56.983 -17.562 1.00 23.00 C ATOM 904 OG1 THR A 153 10.747 56.431 -16.629 1.00 24.13 O ATOM 905 CG2 THR A 153 8.669 57.684 -16.788 1.00 5.44 C ATOM 0 H THR A 153 8.893 54.622 -16.842 1.00 23.04 H new ATOM 0 HA THR A 153 8.567 56.322 -19.220 1.00 55.40 H new ATOM 0 HB THR A 153 10.296 57.724 -18.191 1.00 23.00 H new ATOM 0 HG1 THR A 153 10.360 55.638 -16.202 1.00 24.13 H new ATOM 0 HG21 THR A 153 9.091 58.455 -16.143 1.00 5.44 H new ATOM 0 HG22 THR A 153 7.975 58.141 -17.493 1.00 5.44 H new ATOM 0 HG23 THR A 153 8.138 56.953 -16.179 1.00 5.44 H new ATOM 913 N GLY A 154 10.852 54.030 -18.773 1.00 11.22 N ATOM 914 CA GLY A 154 12.005 53.320 -19.328 1.00 31.24 C ATOM 915 C GLY A 154 13.300 53.649 -18.596 1.00 25.42 C ATOM 916 O GLY A 154 14.342 53.051 -18.879 1.00 63.13 O ATOM 0 H GLY A 154 10.411 53.552 -17.987 1.00 11.22 H new ATOM 0 HA2 GLY A 154 11.825 52.246 -19.277 1.00 31.24 H new ATOM 0 HA3 GLY A 154 12.112 53.576 -20.382 1.00 31.24 H new ATOM 920 N ASN A 155 13.235 54.599 -17.635 1.00 1.43 N ATOM 921 CA ASN A 155 14.416 55.126 -16.924 1.00 41.42 C ATOM 922 C ASN A 155 14.165 55.185 -15.405 1.00 14.52 C ATOM 923 O ASN A 155 13.069 55.545 -14.958 1.00 30.43 O ATOM 924 CB ASN A 155 14.781 56.542 -17.453 1.00 75.22 C ATOM 925 CG ASN A 155 15.236 56.550 -18.918 1.00 44.41 C ATOM 926 OD1 ASN A 155 14.426 56.699 -19.836 1.00 61.15 O ATOM 927 ND2 ASN A 155 16.534 56.381 -19.148 1.00 2.11 N ATOM 0 H ASN A 155 12.357 55.021 -17.332 1.00 1.43 H new ATOM 0 HA ASN A 155 15.249 54.449 -17.112 1.00 41.42 H new ATOM 0 HB2 ASN A 155 13.915 57.195 -17.346 1.00 75.22 H new ATOM 0 HB3 ASN A 155 15.574 56.960 -16.832 1.00 75.22 H new ATOM 0 HD21 ASN A 155 16.885 56.372 -20.106 1.00 2.11 H new ATOM 0 HD22 ASN A 155 17.179 56.260 -18.367 1.00 2.11 H new ATOM 934 N CYS A 156 15.203 54.829 -14.626 1.00 43.40 N ATOM 935 CA CYS A 156 15.188 54.879 -13.150 1.00 71.31 C ATOM 936 C CYS A 156 16.326 55.802 -12.670 1.00 72.41 C ATOM 937 O CYS A 156 17.498 55.558 -12.978 1.00 45.41 O ATOM 938 CB CYS A 156 15.346 53.452 -12.584 1.00 61.14 C ATOM 939 SG CYS A 156 15.381 53.323 -10.766 1.00 53.31 S ATOM 0 H CYS A 156 16.088 54.494 -15.008 1.00 43.40 H new ATOM 0 HA CYS A 156 14.240 55.280 -12.792 1.00 71.31 H new ATOM 0 HB2 CYS A 156 14.525 52.840 -12.958 1.00 61.14 H new ATOM 0 HB3 CYS A 156 16.268 53.024 -12.978 1.00 61.14 H new ATOM 0 HG CYS A 156 14.478 52.474 -10.374 1.00 53.31 H new ATOM 944 N LYS A 157 15.967 56.851 -11.897 1.00 12.21 N ATOM 945 CA LYS A 157 16.906 57.918 -11.468 1.00 25.52 C ATOM 946 C LYS A 157 17.886 57.434 -10.380 1.00 33.41 C ATOM 947 O LYS A 157 18.909 58.081 -10.133 1.00 33.20 O ATOM 948 CB LYS A 157 16.111 59.163 -10.978 1.00 0.23 C ATOM 949 CG LYS A 157 15.223 58.921 -9.735 1.00 1.24 C ATOM 950 CD LYS A 157 14.333 60.138 -9.389 1.00 12.00 C ATOM 951 CE LYS A 157 13.403 59.875 -8.190 1.00 12.21 C ATOM 952 NZ LYS A 157 12.453 60.996 -7.964 1.00 31.45 N ATOM 0 H LYS A 157 15.017 56.984 -11.551 1.00 12.21 H new ATOM 0 HA LYS A 157 17.507 58.193 -12.334 1.00 25.52 H new ATOM 0 HB2 LYS A 157 16.818 59.961 -10.752 1.00 0.23 H new ATOM 0 HB3 LYS A 157 15.480 59.517 -11.793 1.00 0.23 H new ATOM 0 HG2 LYS A 157 14.590 58.051 -9.910 1.00 1.24 H new ATOM 0 HG3 LYS A 157 15.858 58.686 -8.881 1.00 1.24 H new ATOM 0 HD2 LYS A 157 14.968 60.996 -9.169 1.00 12.00 H new ATOM 0 HD3 LYS A 157 13.731 60.401 -10.259 1.00 12.00 H new ATOM 0 HE2 LYS A 157 12.844 58.955 -8.360 1.00 12.21 H new ATOM 0 HE3 LYS A 157 14.003 59.722 -7.293 1.00 12.21 H new ATOM 0 HZ1 LYS A 157 11.846 60.778 -7.148 1.00 31.45 H new ATOM 0 HZ2 LYS A 157 12.985 61.869 -7.776 1.00 31.45 H new ATOM 0 HZ3 LYS A 157 11.862 61.126 -8.810 1.00 31.45 H new ATOM 966 N TYR A 158 17.557 56.306 -9.727 1.00 1.41 N ATOM 967 CA TYR A 158 18.429 55.674 -8.716 1.00 72.11 C ATOM 968 C TYR A 158 19.522 54.811 -9.385 1.00 73.11 C ATOM 969 O TYR A 158 20.676 54.809 -8.939 1.00 21.33 O ATOM 970 CB TYR A 158 17.589 54.817 -7.740 1.00 75.03 C ATOM 971 CG TYR A 158 16.710 55.621 -6.772 1.00 33.04 C ATOM 972 CD1 TYR A 158 17.193 56.007 -5.516 1.00 65.24 C ATOM 973 CD2 TYR A 158 15.406 55.993 -7.109 1.00 60.33 C ATOM 974 CE1 TYR A 158 16.409 56.731 -4.640 1.00 4.42 C ATOM 975 CE2 TYR A 158 14.622 56.717 -6.234 1.00 25.11 C ATOM 976 CZ TYR A 158 15.125 57.082 -5.004 1.00 64.12 C ATOM 977 OH TYR A 158 14.340 57.806 -4.133 1.00 75.33 O ATOM 0 H TYR A 158 16.682 55.806 -9.883 1.00 1.41 H new ATOM 0 HA TYR A 158 18.922 56.467 -8.153 1.00 72.11 H new ATOM 0 HB2 TYR A 158 16.951 54.151 -8.320 1.00 75.03 H new ATOM 0 HB3 TYR A 158 18.263 54.187 -7.159 1.00 75.03 H new ATOM 0 HD1 TYR A 158 18.197 55.733 -5.227 1.00 65.24 H new ATOM 0 HD2 TYR A 158 15.005 55.709 -8.071 1.00 60.33 H new ATOM 0 HE1 TYR A 158 16.798 57.021 -3.675 1.00 4.42 H new ATOM 0 HE2 TYR A 158 13.617 56.997 -6.512 1.00 25.11 H new ATOM 0 HH TYR A 158 13.465 57.972 -4.542 1.00 75.33 H new ATOM 987 N GLY A 159 19.138 54.083 -10.454 1.00 33.21 N ATOM 988 CA GLY A 159 20.055 53.186 -11.173 1.00 45.21 C ATOM 989 C GLY A 159 20.510 52.001 -10.317 1.00 11.43 C ATOM 990 O GLY A 159 19.687 51.167 -9.929 1.00 45.31 O ATOM 0 H GLY A 159 18.193 54.102 -10.837 1.00 33.21 H new ATOM 0 HA2 GLY A 159 19.563 52.813 -12.071 1.00 45.21 H new ATOM 0 HA3 GLY A 159 20.928 53.751 -11.499 1.00 45.21 H new ATOM 994 N THR A 160 21.814 51.958 -9.979 1.00 22.24 N ATOM 995 CA THR A 160 22.398 50.894 -9.126 1.00 62.01 C ATOM 996 C THR A 160 21.949 51.050 -7.648 1.00 31.01 C ATOM 997 O THR A 160 22.054 50.109 -6.854 1.00 25.11 O ATOM 998 CB THR A 160 23.969 50.881 -9.226 1.00 24.41 C ATOM 999 OG1 THR A 160 24.518 49.774 -8.485 1.00 21.13 O ATOM 1000 CG2 THR A 160 24.607 52.191 -8.723 1.00 45.41 C ATOM 0 H THR A 160 22.493 52.655 -10.286 1.00 22.24 H new ATOM 0 HA THR A 160 22.026 49.939 -9.496 1.00 62.01 H new ATOM 0 HB THR A 160 24.207 50.776 -10.285 1.00 24.41 H new ATOM 0 HG1 THR A 160 25.495 49.782 -8.561 1.00 21.13 H new ATOM 0 HG21 THR A 160 25.691 52.126 -8.815 1.00 45.41 H new ATOM 0 HG22 THR A 160 24.241 53.026 -9.320 1.00 45.41 H new ATOM 0 HG23 THR A 160 24.340 52.348 -7.678 1.00 45.41 H new ATOM 1008 N ARG A 161 21.430 52.250 -7.308 1.00 71.31 N ATOM 1009 CA ARG A 161 20.930 52.581 -5.955 1.00 33.12 C ATOM 1010 C ARG A 161 19.420 52.270 -5.810 1.00 62.31 C ATOM 1011 O ARG A 161 18.809 52.617 -4.796 1.00 14.23 O ATOM 1012 CB ARG A 161 21.213 54.081 -5.653 1.00 14.11 C ATOM 1013 CG ARG A 161 22.713 54.463 -5.688 1.00 73.41 C ATOM 1014 CD ARG A 161 22.954 55.956 -5.400 1.00 24.44 C ATOM 1015 NE ARG A 161 24.393 56.298 -5.404 1.00 44.30 N ATOM 1016 CZ ARG A 161 24.971 57.248 -6.159 1.00 51.31 C ATOM 1017 NH1 ARG A 161 24.253 57.987 -7.005 1.00 64.13 N ATOM 1018 NH2 ARG A 161 26.278 57.448 -6.070 1.00 74.23 N ATOM 0 H ARG A 161 21.346 53.022 -7.969 1.00 71.31 H new ATOM 0 HA ARG A 161 21.456 51.958 -5.232 1.00 33.12 H new ATOM 0 HB2 ARG A 161 20.677 54.693 -6.378 1.00 14.11 H new ATOM 0 HB3 ARG A 161 20.810 54.324 -4.670 1.00 14.11 H new ATOM 0 HG2 ARG A 161 23.253 53.864 -4.955 1.00 73.41 H new ATOM 0 HG3 ARG A 161 23.124 54.215 -6.667 1.00 73.41 H new ATOM 0 HD2 ARG A 161 22.437 56.557 -6.148 1.00 24.44 H new ATOM 0 HD3 ARG A 161 22.524 56.212 -4.432 1.00 24.44 H new ATOM 0 HE ARG A 161 25.000 55.767 -4.779 1.00 44.30 H new ATOM 0 HH11 ARG A 161 23.248 57.836 -7.087 1.00 64.13 H new ATOM 0 HH12 ARG A 161 24.709 58.703 -7.570 1.00 64.13 H new ATOM 0 HH21 ARG A 161 26.838 56.883 -5.432 1.00 74.23 H new ATOM 0 HH22 ARG A 161 26.724 58.167 -6.640 1.00 74.23 H new ATOM 1032 N CYS A 162 18.822 51.626 -6.834 1.00 70.52 N ATOM 1033 CA CYS A 162 17.389 51.262 -6.838 1.00 33.21 C ATOM 1034 C CYS A 162 17.175 49.917 -6.129 1.00 31.24 C ATOM 1035 O CYS A 162 17.863 48.938 -6.435 1.00 12.54 O ATOM 1036 CB CYS A 162 16.876 51.190 -8.293 1.00 70.54 C ATOM 1037 SG CYS A 162 15.091 50.852 -8.485 1.00 1.11 S ATOM 0 H CYS A 162 19.318 51.344 -7.680 1.00 70.52 H new ATOM 0 HA CYS A 162 16.827 52.025 -6.299 1.00 33.21 H new ATOM 0 HB2 CYS A 162 17.104 52.135 -8.787 1.00 70.54 H new ATOM 0 HB3 CYS A 162 17.433 50.414 -8.818 1.00 70.54 H new ATOM 0 HG CYS A 162 14.923 49.866 -9.315 1.00 1.11 H new ATOM 1042 N GLN A 163 16.213 49.874 -5.188 1.00 0.21 N ATOM 1043 CA GLN A 163 15.893 48.645 -4.426 1.00 5.34 C ATOM 1044 C GLN A 163 14.925 47.731 -5.205 1.00 73.45 C ATOM 1045 O GLN A 163 14.618 46.639 -4.748 1.00 20.43 O ATOM 1046 CB GLN A 163 15.311 48.996 -3.029 1.00 72.30 C ATOM 1047 CG GLN A 163 13.948 49.716 -3.043 1.00 50.20 C ATOM 1048 CD GLN A 163 13.393 50.034 -1.647 1.00 53.51 C ATOM 1049 OE1 GLN A 163 14.264 50.345 -0.690 1.00 43.25 O flip ATOM 1050 NE2 GLN A 163 12.177 50.030 -1.437 1.00 64.24 N flip ATOM 0 H GLN A 163 15.640 50.679 -4.934 1.00 0.21 H new ATOM 0 HA GLN A 163 16.824 48.096 -4.284 1.00 5.34 H new ATOM 0 HB2 GLN A 163 15.211 48.075 -2.454 1.00 72.30 H new ATOM 0 HB3 GLN A 163 16.029 49.624 -2.502 1.00 72.30 H new ATOM 0 HG2 GLN A 163 14.046 50.646 -3.604 1.00 50.20 H new ATOM 0 HG3 GLN A 163 13.227 49.096 -3.576 1.00 50.20 H new ATOM 0 HE21 GLN A 163 11.531 49.788 -2.188 1.00 64.24 H new ATOM 0 HE22 GLN A 163 11.818 50.269 -0.512 1.00 64.24 H new ATOM 1059 N PHE A 164 14.457 48.191 -6.375 1.00 32.33 N ATOM 1060 CA PHE A 164 13.561 47.419 -7.268 1.00 60.15 C ATOM 1061 C PHE A 164 14.355 46.788 -8.427 1.00 41.12 C ATOM 1062 O PHE A 164 15.391 47.326 -8.843 1.00 70.04 O ATOM 1063 CB PHE A 164 12.441 48.324 -7.818 1.00 42.42 C ATOM 1064 CG PHE A 164 11.427 48.779 -6.775 1.00 25.33 C ATOM 1065 CD1 PHE A 164 11.629 49.942 -6.033 1.00 42.22 C ATOM 1066 CD2 PHE A 164 10.269 48.037 -6.538 1.00 23.24 C ATOM 1067 CE1 PHE A 164 10.707 50.349 -5.091 1.00 50.05 C ATOM 1068 CE2 PHE A 164 9.351 48.446 -5.596 1.00 21.03 C ATOM 1069 CZ PHE A 164 9.568 49.603 -4.872 1.00 55.24 C ATOM 0 H PHE A 164 14.688 49.116 -6.737 1.00 32.33 H new ATOM 0 HA PHE A 164 13.109 46.616 -6.686 1.00 60.15 H new ATOM 0 HB2 PHE A 164 12.894 49.204 -8.274 1.00 42.42 H new ATOM 0 HB3 PHE A 164 11.915 47.790 -8.609 1.00 42.42 H new ATOM 0 HD1 PHE A 164 12.519 50.532 -6.198 1.00 42.22 H new ATOM 0 HD2 PHE A 164 10.091 47.132 -7.100 1.00 23.24 H new ATOM 0 HE1 PHE A 164 10.877 51.253 -4.525 1.00 50.05 H new ATOM 0 HE2 PHE A 164 8.460 47.861 -5.423 1.00 21.03 H new ATOM 0 HZ PHE A 164 8.846 49.923 -4.135 1.00 55.24 H new ATOM 1079 N ILE A 165 13.852 45.641 -8.929 1.00 74.21 N ATOM 1080 CA ILE A 165 14.516 44.841 -9.985 1.00 14.43 C ATOM 1081 C ILE A 165 14.494 45.583 -11.346 1.00 0.12 C ATOM 1082 O ILE A 165 13.422 45.980 -11.821 1.00 34.34 O ATOM 1083 CB ILE A 165 13.813 43.436 -10.160 1.00 31.25 C ATOM 1084 CG1 ILE A 165 13.614 42.724 -8.785 1.00 41.53 C ATOM 1085 CG2 ILE A 165 14.607 42.529 -11.138 1.00 14.42 C ATOM 1086 CD1 ILE A 165 12.841 41.412 -8.838 1.00 32.32 C ATOM 0 H ILE A 165 12.969 45.240 -8.613 1.00 74.21 H new ATOM 0 HA ILE A 165 15.549 44.693 -9.671 1.00 14.43 H new ATOM 0 HB ILE A 165 12.828 43.616 -10.590 1.00 31.25 H new ATOM 0 HG12 ILE A 165 14.594 42.532 -8.349 1.00 41.53 H new ATOM 0 HG13 ILE A 165 13.094 43.406 -8.113 1.00 41.53 H new ATOM 0 HG21 ILE A 165 14.099 41.570 -11.238 1.00 14.42 H new ATOM 0 HG22 ILE A 165 14.667 43.011 -12.114 1.00 14.42 H new ATOM 0 HG23 ILE A 165 15.613 42.368 -10.750 1.00 14.42 H new ATOM 0 HD11 ILE A 165 12.758 40.998 -7.833 1.00 32.32 H new ATOM 0 HD12 ILE A 165 11.844 41.593 -9.240 1.00 32.32 H new ATOM 0 HD13 ILE A 165 13.368 40.705 -9.479 1.00 32.32 H new ATOM 1098 N HIS A 166 15.679 45.768 -11.960 1.00 75.14 N ATOM 1099 CA HIS A 166 15.809 46.369 -13.302 1.00 64.52 C ATOM 1100 C HIS A 166 15.940 45.275 -14.373 1.00 11.15 C ATOM 1101 O HIS A 166 17.005 44.660 -14.526 1.00 65.03 O ATOM 1102 CB HIS A 166 17.021 47.338 -13.366 1.00 43.31 C ATOM 1103 CG HIS A 166 16.852 48.615 -12.584 1.00 61.11 C ATOM 1104 ND1 HIS A 166 17.784 49.622 -12.561 1.00 30.53 N ATOM 1105 CD2 HIS A 166 15.813 49.063 -11.834 1.00 12.02 C ATOM 1106 CE1 HIS A 166 17.299 50.619 -11.829 1.00 10.44 C ATOM 1107 NE2 HIS A 166 16.094 50.337 -11.360 1.00 70.45 N ATOM 0 H HIS A 166 16.571 45.506 -11.541 1.00 75.14 H new ATOM 0 HA HIS A 166 14.905 46.945 -13.501 1.00 64.52 H new ATOM 0 HB2 HIS A 166 17.904 46.817 -12.997 1.00 43.31 H new ATOM 0 HB3 HIS A 166 17.212 47.590 -14.409 1.00 43.31 H new ATOM 0 HD2 HIS A 166 14.906 48.512 -11.636 1.00 12.02 H new ATOM 0 HE1 HIS A 166 17.823 51.544 -11.640 1.00 10.44 H new ATOM 0 HE2 HIS A 166 15.501 50.927 -10.777 1.00 70.45 H new ATOM 1115 N LYS A 167 14.824 45.003 -15.067 1.00 71.14 N ATOM 1116 CA LYS A 167 14.789 44.158 -16.272 1.00 52.24 C ATOM 1117 C LYS A 167 14.302 45.008 -17.451 1.00 41.22 C ATOM 1118 O LYS A 167 13.357 45.796 -17.289 1.00 22.51 O ATOM 1119 CB LYS A 167 13.866 42.927 -16.062 1.00 75.31 C ATOM 1120 CG LYS A 167 14.332 41.973 -14.941 1.00 31.20 C ATOM 1121 CD LYS A 167 13.446 40.713 -14.810 1.00 52.41 C ATOM 1122 CE LYS A 167 13.914 39.776 -13.682 1.00 62.23 C ATOM 1123 NZ LYS A 167 15.311 39.300 -13.881 1.00 63.03 N ATOM 0 H LYS A 167 13.909 45.368 -14.804 1.00 71.14 H new ATOM 0 HA LYS A 167 15.790 43.780 -16.480 1.00 52.24 H new ATOM 0 HB2 LYS A 167 12.859 43.276 -15.832 1.00 75.31 H new ATOM 0 HB3 LYS A 167 13.804 42.369 -16.996 1.00 75.31 H new ATOM 0 HG2 LYS A 167 15.360 41.668 -15.136 1.00 31.20 H new ATOM 0 HG3 LYS A 167 14.333 42.510 -13.992 1.00 31.20 H new ATOM 0 HD2 LYS A 167 12.416 41.016 -14.622 1.00 52.41 H new ATOM 0 HD3 LYS A 167 13.451 40.169 -15.755 1.00 52.41 H new ATOM 0 HE2 LYS A 167 13.844 40.298 -12.728 1.00 62.23 H new ATOM 0 HE3 LYS A 167 13.245 38.917 -13.626 1.00 62.23 H new ATOM 0 HZ1 LYS A 167 15.533 38.570 -13.174 1.00 63.03 H new ATOM 0 HZ2 LYS A 167 15.408 38.898 -14.835 1.00 63.03 H new ATOM 0 HZ3 LYS A 167 15.969 40.098 -13.773 1.00 63.03 H new