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 90:sc= 0.644 USER MOD Set 1.2: A 156 CYS SG : rot 140:sc= 0.73 USER MOD Set 1.3: A 162 CYS SG : rot -96:sc= 1.38 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 0.714 K(o=3.5,f=-13!) USER MOD Set 2.1: A 104 CYS SG : rot -126:sc= 1.61 USER MOD Set 2.2: A 113 CYS SG : rot -135:sc= -2.11! USER MOD Set 2.3: A 119 CYS SG : rot -124:sc= -4.38! USER MOD Set 2.4: A 123 HIS : no HD1:sc= -1.1 K(o=-6,f=-19!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 175:sc=-0.00668 (180deg=-0.0503) USER MOD Single : A 110 SER OG : rot -12:sc= 0.882 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.578 K(o=-0.58,f=-1.2) USER MOD Single : A 126 HIS : no HD1:sc= 0.126 K(o=0.13,f=-1.5) USER MOD Single : A 149 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.978) USER MOD Single : A 151 SER OG : rot 74:sc= 0.614 USER MOD Single : A 152 MET CE :methyl -134:sc= -0.139 (180deg=-0.599) USER MOD Single : A 153 THR OG1 : rot -40:sc= 1.3 USER MOD Single : A 155 ASN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 139:sc= -0.552 (180deg=-2.52!) 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 K(o=0,f=-0.55) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 0.714 10.098 10.595 1.00 33.15 N ATOM 37 CA PHE A 99 0.191 8.888 9.959 1.00 72.45 C ATOM 38 C PHE A 99 -0.207 9.240 8.518 1.00 44.42 C ATOM 39 O PHE A 99 -0.825 10.292 8.288 1.00 62.24 O ATOM 40 CB PHE A 99 -1.026 8.335 10.761 1.00 33.55 C ATOM 41 CG PHE A 99 -1.269 6.831 10.596 1.00 33.34 C ATOM 42 CD1 PHE A 99 -2.096 6.334 9.588 1.00 74.11 C ATOM 43 CD2 PHE A 99 -0.670 5.914 11.462 1.00 60.21 C ATOM 44 CE1 PHE A 99 -2.317 4.977 9.456 1.00 71.45 C ATOM 45 CE2 PHE A 99 -0.890 4.558 11.327 1.00 64.24 C ATOM 46 CZ PHE A 99 -1.715 4.090 10.325 1.00 32.24 C ATOM 0 HA PHE A 99 0.951 8.107 9.947 1.00 72.45 H new ATOM 0 HB2 PHE A 99 -0.876 8.551 11.819 1.00 33.55 H new ATOM 0 HB3 PHE A 99 -1.923 8.871 10.450 1.00 33.55 H new ATOM 0 HD1 PHE A 99 -2.570 7.020 8.901 1.00 74.11 H new ATOM 0 HD2 PHE A 99 -0.024 6.271 12.250 1.00 60.21 H new ATOM 0 HE1 PHE A 99 -2.962 4.610 8.671 1.00 71.45 H new ATOM 0 HE2 PHE A 99 -0.417 3.864 12.005 1.00 64.24 H new ATOM 0 HZ PHE A 99 -1.890 3.029 10.221 1.00 32.24 H new ATOM 56 N LYS A 100 0.163 8.343 7.581 1.00 11.43 N ATOM 57 CA LYS A 100 -0.045 8.466 6.114 1.00 22.35 C ATOM 58 C LYS A 100 0.341 9.856 5.563 1.00 4.45 C ATOM 59 O LYS A 100 -0.383 10.484 4.780 1.00 21.55 O ATOM 60 CB LYS A 100 -1.461 7.964 5.671 1.00 73.11 C ATOM 61 CG LYS A 100 -2.692 8.706 6.230 1.00 63.54 C ATOM 62 CD LYS A 100 -4.021 7.997 5.869 1.00 4.45 C ATOM 63 CE LYS A 100 -4.107 6.577 6.461 1.00 73.51 C ATOM 64 NZ LYS A 100 -5.394 5.902 6.146 1.00 40.10 N ATOM 0 H LYS A 100 0.635 7.474 7.831 1.00 11.43 H new ATOM 0 HA LYS A 100 0.660 7.785 5.638 1.00 22.35 H new ATOM 0 HB2 LYS A 100 -1.508 8.009 4.583 1.00 73.11 H new ATOM 0 HB3 LYS A 100 -1.547 6.914 5.950 1.00 73.11 H new ATOM 0 HG2 LYS A 100 -2.606 8.782 7.314 1.00 63.54 H new ATOM 0 HG3 LYS A 100 -2.708 9.724 5.840 1.00 63.54 H new ATOM 0 HD2 LYS A 100 -4.858 8.592 6.234 1.00 4.45 H new ATOM 0 HD3 LYS A 100 -4.118 7.942 4.785 1.00 4.45 H new ATOM 0 HE2 LYS A 100 -3.283 5.977 6.076 1.00 73.51 H new ATOM 0 HE3 LYS A 100 -3.985 6.631 7.543 1.00 73.51 H new ATOM 0 HZ1 LYS A 100 -5.400 4.951 6.567 1.00 40.10 H new ATOM 0 HZ2 LYS A 100 -6.182 6.458 6.535 1.00 40.10 H new ATOM 0 HZ3 LYS A 100 -5.502 5.824 5.115 1.00 40.10 H new ATOM 78 N THR A 101 1.534 10.299 5.992 1.00 33.44 N ATOM 79 CA THR A 101 2.155 11.554 5.551 1.00 4.51 C ATOM 80 C THR A 101 2.927 11.353 4.225 1.00 71.45 C ATOM 81 O THR A 101 3.225 12.317 3.512 1.00 73.34 O ATOM 82 CB THR A 101 3.120 12.104 6.661 1.00 12.12 C ATOM 83 OG1 THR A 101 4.129 11.122 6.969 1.00 2.34 O ATOM 84 CG2 THR A 101 2.365 12.469 7.959 1.00 40.14 C ATOM 0 H THR A 101 2.102 9.785 6.666 1.00 33.44 H new ATOM 0 HA THR A 101 1.363 12.282 5.378 1.00 4.51 H new ATOM 0 HB THR A 101 3.579 13.010 6.266 1.00 12.12 H new ATOM 0 HG1 THR A 101 4.727 11.474 7.661 1.00 2.34 H new ATOM 0 HG21 THR A 101 3.073 12.845 8.698 1.00 40.14 H new ATOM 0 HG22 THR A 101 1.622 13.237 7.744 1.00 40.14 H new ATOM 0 HG23 THR A 101 1.867 11.583 8.352 1.00 40.14 H new ATOM 92 N ALA A 102 3.241 10.084 3.911 1.00 43.23 N ATOM 93 CA ALA A 102 3.957 9.685 2.684 1.00 12.15 C ATOM 94 C ALA A 102 3.142 8.615 1.948 1.00 25.50 C ATOM 95 O ALA A 102 2.199 8.064 2.517 1.00 60.43 O ATOM 96 CB ALA A 102 5.358 9.162 3.035 1.00 24.21 C ATOM 0 H ALA A 102 3.002 9.294 4.510 1.00 43.23 H new ATOM 0 HA ALA A 102 4.075 10.550 2.031 1.00 12.15 H new ATOM 0 HB1 ALA A 102 5.877 8.871 2.122 1.00 24.21 H new ATOM 0 HB2 ALA A 102 5.923 9.946 3.539 1.00 24.21 H new ATOM 0 HB3 ALA A 102 5.269 8.298 3.693 1.00 24.21 H new ATOM 102 N LEU A 103 3.491 8.347 0.677 1.00 5.13 N ATOM 103 CA LEU A 103 2.844 7.289 -0.125 1.00 42.21 C ATOM 104 C LEU A 103 3.374 5.898 0.277 1.00 45.25 C ATOM 105 O LEU A 103 4.540 5.748 0.672 1.00 34.34 O ATOM 106 CB LEU A 103 3.051 7.537 -1.646 1.00 31.32 C ATOM 107 CG LEU A 103 2.357 8.807 -2.239 1.00 63.43 C ATOM 108 CD1 LEU A 103 2.702 8.988 -3.734 1.00 21.51 C ATOM 109 CD2 LEU A 103 0.821 8.771 -2.019 1.00 21.03 C ATOM 0 H LEU A 103 4.223 8.852 0.179 1.00 5.13 H new ATOM 0 HA LEU A 103 1.774 7.320 0.079 1.00 42.21 H new ATOM 0 HB2 LEU A 103 4.121 7.610 -1.839 1.00 31.32 H new ATOM 0 HB3 LEU A 103 2.688 6.664 -2.188 1.00 31.32 H new ATOM 0 HG LEU A 103 2.745 9.672 -1.701 1.00 63.43 H new ATOM 0 HD11 LEU A 103 2.205 9.879 -4.117 1.00 21.51 H new ATOM 0 HD12 LEU A 103 3.781 9.097 -3.848 1.00 21.51 H new ATOM 0 HD13 LEU A 103 2.365 8.115 -4.293 1.00 21.51 H new ATOM 0 HD21 LEU A 103 0.372 9.669 -2.443 1.00 21.03 H new ATOM 0 HD22 LEU A 103 0.404 7.890 -2.508 1.00 21.03 H new ATOM 0 HD23 LEU A 103 0.607 8.729 -0.951 1.00 21.03 H new ATOM 121 N CYS A 104 2.490 4.902 0.163 1.00 51.44 N ATOM 122 CA CYS A 104 2.751 3.512 0.552 1.00 73.12 C ATOM 123 C CYS A 104 3.649 2.826 -0.486 1.00 42.43 C ATOM 124 O CYS A 104 3.311 2.788 -1.673 1.00 14.43 O ATOM 125 CB CYS A 104 1.392 2.793 0.712 1.00 12.52 C ATOM 126 SG CYS A 104 1.432 1.027 1.163 1.00 4.42 S ATOM 0 H CYS A 104 1.551 5.043 -0.211 1.00 51.44 H new ATOM 0 HA CYS A 104 3.285 3.472 1.501 1.00 73.12 H new ATOM 0 HB2 CYS A 104 0.817 3.323 1.471 1.00 12.52 H new ATOM 0 HB3 CYS A 104 0.846 2.890 -0.226 1.00 12.52 H new ATOM 0 HG CYS A 104 0.734 0.344 0.305 1.00 4.42 H new ATOM 131 N ASP A 105 4.801 2.313 -0.012 1.00 3.33 N ATOM 132 CA ASP A 105 5.804 1.615 -0.841 1.00 14.12 C ATOM 133 C ASP A 105 5.181 0.426 -1.586 1.00 52.34 C ATOM 134 O ASP A 105 5.376 0.276 -2.793 1.00 0.23 O ATOM 135 CB ASP A 105 6.984 1.142 0.054 1.00 61.24 C ATOM 136 CG ASP A 105 8.058 0.329 -0.700 1.00 62.40 C ATOM 137 OD1 ASP A 105 8.772 0.915 -1.542 1.00 73.50 O ATOM 138 OD2 ASP A 105 8.209 -0.891 -0.439 1.00 22.15 O ATOM 0 H ASP A 105 5.065 2.372 0.971 1.00 3.33 H new ATOM 0 HA ASP A 105 6.179 2.312 -1.591 1.00 14.12 H new ATOM 0 HB2 ASP A 105 7.455 2.014 0.507 1.00 61.24 H new ATOM 0 HB3 ASP A 105 6.588 0.535 0.868 1.00 61.24 H new ATOM 143 N ALA A 106 4.398 -0.379 -0.846 1.00 1.33 N ATOM 144 CA ALA A 106 3.689 -1.557 -1.388 1.00 33.54 C ATOM 145 C ALA A 106 2.699 -1.163 -2.507 1.00 25.23 C ATOM 146 O ALA A 106 2.544 -1.882 -3.498 1.00 32.04 O ATOM 147 CB ALA A 106 2.972 -2.301 -0.254 1.00 24.03 C ATOM 0 H ALA A 106 4.237 -0.232 0.150 1.00 1.33 H new ATOM 0 HA ALA A 106 4.427 -2.223 -1.836 1.00 33.54 H new ATOM 0 HB1 ALA A 106 2.451 -3.168 -0.660 1.00 24.03 H new ATOM 0 HB2 ALA A 106 3.703 -2.630 0.485 1.00 24.03 H new ATOM 0 HB3 ALA A 106 2.252 -1.634 0.220 1.00 24.03 H new ATOM 153 N TYR A 107 2.067 0.007 -2.342 1.00 10.52 N ATOM 154 CA TYR A 107 1.100 0.557 -3.314 1.00 12.43 C ATOM 155 C TYR A 107 1.806 1.022 -4.605 1.00 54.10 C ATOM 156 O TYR A 107 1.220 0.987 -5.683 1.00 51.22 O ATOM 157 CB TYR A 107 0.332 1.729 -2.650 1.00 74.24 C ATOM 158 CG TYR A 107 -0.602 2.538 -3.570 1.00 51.15 C ATOM 159 CD1 TYR A 107 -1.828 2.019 -3.994 1.00 50.02 C ATOM 160 CD2 TYR A 107 -0.258 3.828 -3.999 1.00 73.35 C ATOM 161 CE1 TYR A 107 -2.669 2.750 -4.810 1.00 5.01 C ATOM 162 CE2 TYR A 107 -1.095 4.556 -4.815 1.00 34.45 C ATOM 163 CZ TYR A 107 -2.299 4.016 -5.218 1.00 45.34 C ATOM 164 OH TYR A 107 -3.140 4.750 -6.029 1.00 2.41 O ATOM 0 H TYR A 107 2.210 0.605 -1.528 1.00 10.52 H new ATOM 0 HA TYR A 107 0.396 -0.225 -3.599 1.00 12.43 H new ATOM 0 HB2 TYR A 107 -0.260 1.328 -1.827 1.00 74.24 H new ATOM 0 HB3 TYR A 107 1.060 2.413 -2.214 1.00 74.24 H new ATOM 0 HD1 TYR A 107 -2.123 1.029 -3.678 1.00 50.02 H new ATOM 0 HD2 TYR A 107 0.681 4.259 -3.684 1.00 73.35 H new ATOM 0 HE1 TYR A 107 -3.613 2.333 -5.128 1.00 5.01 H new ATOM 0 HE2 TYR A 107 -0.810 5.546 -5.138 1.00 34.45 H new ATOM 0 HH TYR A 107 -2.731 5.619 -6.223 1.00 2.41 H new ATOM 174 N LYS A 108 3.057 1.477 -4.481 1.00 5.21 N ATOM 175 CA LYS A 108 3.833 1.994 -5.625 1.00 54.24 C ATOM 176 C LYS A 108 4.532 0.857 -6.402 1.00 24.44 C ATOM 177 O LYS A 108 4.653 0.927 -7.630 1.00 3.31 O ATOM 178 CB LYS A 108 4.859 3.048 -5.133 1.00 50.53 C ATOM 179 CG LYS A 108 4.216 4.281 -4.448 1.00 32.13 C ATOM 180 CD LYS A 108 5.255 5.323 -3.968 1.00 42.12 C ATOM 181 CE LYS A 108 6.097 5.906 -5.121 1.00 40.44 C ATOM 182 NZ LYS A 108 5.261 6.552 -6.166 1.00 54.25 N ATOM 0 H LYS A 108 3.561 1.500 -3.595 1.00 5.21 H new ATOM 0 HA LYS A 108 3.141 2.473 -6.318 1.00 54.24 H new ATOM 0 HB2 LYS A 108 5.545 2.573 -4.432 1.00 50.53 H new ATOM 0 HB3 LYS A 108 5.453 3.386 -5.982 1.00 50.53 H new ATOM 0 HG2 LYS A 108 3.528 4.758 -5.146 1.00 32.13 H new ATOM 0 HG3 LYS A 108 3.625 3.948 -3.595 1.00 32.13 H new ATOM 0 HD2 LYS A 108 4.738 6.135 -3.456 1.00 42.12 H new ATOM 0 HD3 LYS A 108 5.919 4.858 -3.239 1.00 42.12 H new ATOM 0 HE2 LYS A 108 6.800 6.636 -4.720 1.00 40.44 H new ATOM 0 HE3 LYS A 108 6.688 5.110 -5.574 1.00 40.44 H new ATOM 0 HZ1 LYS A 108 5.876 7.001 -6.874 1.00 54.25 H new ATOM 0 HZ2 LYS A 108 4.667 5.834 -6.628 1.00 54.25 H new ATOM 0 HZ3 LYS A 108 4.654 7.274 -5.728 1.00 54.25 H new ATOM 196 N ARG A 109 4.972 -0.198 -5.685 1.00 51.23 N ATOM 197 CA ARG A 109 5.764 -1.299 -6.284 1.00 41.25 C ATOM 198 C ARG A 109 4.866 -2.395 -6.899 1.00 63.24 C ATOM 199 O ARG A 109 5.133 -2.857 -8.012 1.00 35.02 O ATOM 200 CB ARG A 109 6.750 -1.912 -5.244 1.00 62.31 C ATOM 201 CG ARG A 109 6.093 -2.577 -4.018 1.00 61.14 C ATOM 202 CD ARG A 109 7.115 -3.142 -3.022 1.00 4.44 C ATOM 203 NE ARG A 109 7.916 -4.235 -3.609 1.00 34.04 N ATOM 204 CZ ARG A 109 8.412 -5.285 -2.936 1.00 61.33 C ATOM 205 NH1 ARG A 109 8.210 -5.419 -1.631 1.00 13.31 N ATOM 206 NH2 ARG A 109 9.122 -6.196 -3.580 1.00 64.32 N ATOM 0 H ARG A 109 4.793 -0.313 -4.687 1.00 51.23 H new ATOM 0 HA ARG A 109 6.347 -0.864 -7.096 1.00 41.25 H new ATOM 0 HB2 ARG A 109 7.369 -2.653 -5.749 1.00 62.31 H new ATOM 0 HB3 ARG A 109 7.417 -1.124 -4.894 1.00 62.31 H new ATOM 0 HG2 ARG A 109 5.464 -1.847 -3.509 1.00 61.14 H new ATOM 0 HG3 ARG A 109 5.439 -3.382 -4.355 1.00 61.14 H new ATOM 0 HD2 ARG A 109 7.779 -2.343 -2.692 1.00 4.44 H new ATOM 0 HD3 ARG A 109 6.594 -3.509 -2.138 1.00 4.44 H new ATOM 0 HE ARG A 109 8.108 -4.188 -4.610 1.00 34.04 H new ATOM 0 HH11 ARG A 109 7.670 -4.718 -1.124 1.00 13.31 H new ATOM 0 HH12 ARG A 109 8.594 -6.223 -1.135 1.00 13.31 H new ATOM 0 HH21 ARG A 109 9.289 -6.098 -4.581 1.00 64.32 H new ATOM 0 HH22 ARG A 109 9.502 -6.997 -3.075 1.00 64.32 H new ATOM 220 N SER A 110 3.809 -2.816 -6.172 1.00 23.11 N ATOM 221 CA SER A 110 2.931 -3.939 -6.594 1.00 51.42 C ATOM 222 C SER A 110 1.502 -3.465 -6.936 1.00 43.11 C ATOM 223 O SER A 110 0.668 -4.285 -7.346 1.00 11.11 O ATOM 224 CB SER A 110 2.908 -5.030 -5.495 1.00 34.43 C ATOM 225 OG SER A 110 2.475 -4.515 -4.249 1.00 23.10 O ATOM 0 H SER A 110 3.538 -2.394 -5.284 1.00 23.11 H new ATOM 0 HA SER A 110 3.345 -4.363 -7.509 1.00 51.42 H new ATOM 0 HB2 SER A 110 2.247 -5.841 -5.802 1.00 34.43 H new ATOM 0 HB3 SER A 110 3.905 -5.456 -5.385 1.00 34.43 H new ATOM 0 HG SER A 110 2.457 -3.536 -4.288 1.00 23.10 H new ATOM 231 N GLN A 111 1.246 -2.141 -6.766 1.00 5.45 N ATOM 232 CA GLN A 111 -0.054 -1.478 -7.052 1.00 53.25 C ATOM 233 C GLN A 111 -1.148 -1.911 -6.049 1.00 64.34 C ATOM 234 O GLN A 111 -1.562 -1.114 -5.187 1.00 11.45 O ATOM 235 CB GLN A 111 -0.497 -1.659 -8.538 1.00 45.23 C ATOM 236 CG GLN A 111 0.454 -0.997 -9.559 1.00 65.12 C ATOM 237 CD GLN A 111 0.010 -1.190 -11.010 1.00 24.14 C ATOM 238 OE1 GLN A 111 -0.741 -0.381 -11.558 1.00 72.15 O ATOM 239 NE2 GLN A 111 0.461 -2.266 -11.640 1.00 24.14 N ATOM 0 H GLN A 111 1.952 -1.492 -6.419 1.00 5.45 H new ATOM 0 HA GLN A 111 0.095 -0.407 -6.911 1.00 53.25 H new ATOM 0 HB2 GLN A 111 -0.567 -2.724 -8.759 1.00 45.23 H new ATOM 0 HB3 GLN A 111 -1.496 -1.241 -8.663 1.00 45.23 H new ATOM 0 HG2 GLN A 111 0.520 0.070 -9.345 1.00 65.12 H new ATOM 0 HG3 GLN A 111 1.455 -1.410 -9.434 1.00 65.12 H new ATOM 0 HE21 GLN A 111 1.082 -2.917 -11.158 1.00 24.14 H new ATOM 0 HE22 GLN A 111 0.187 -2.443 -12.607 1.00 24.14 H new ATOM 248 N ALA A 112 -1.608 -3.171 -6.161 1.00 74.31 N ATOM 249 CA ALA A 112 -2.533 -3.776 -5.192 1.00 33.33 C ATOM 250 C ALA A 112 -1.770 -4.109 -3.892 1.00 52.33 C ATOM 251 O ALA A 112 -1.101 -5.146 -3.787 1.00 63.42 O ATOM 252 CB ALA A 112 -3.208 -5.020 -5.794 1.00 33.34 C ATOM 0 H ALA A 112 -1.348 -3.795 -6.925 1.00 74.31 H new ATOM 0 HA ALA A 112 -3.325 -3.067 -4.951 1.00 33.33 H new ATOM 0 HB1 ALA A 112 -3.889 -5.454 -5.062 1.00 33.34 H new ATOM 0 HB2 ALA A 112 -3.767 -4.735 -6.686 1.00 33.34 H new ATOM 0 HB3 ALA A 112 -2.447 -5.753 -6.061 1.00 33.34 H new ATOM 258 N CYS A 113 -1.838 -3.172 -2.933 1.00 61.12 N ATOM 259 CA CYS A 113 -1.153 -3.268 -1.638 1.00 33.30 C ATOM 260 C CYS A 113 -1.835 -4.337 -0.754 1.00 11.11 C ATOM 261 O CYS A 113 -3.044 -4.273 -0.515 1.00 31.52 O ATOM 262 CB CYS A 113 -1.181 -1.880 -0.966 1.00 74.23 C ATOM 263 SG CYS A 113 -0.320 -1.768 0.628 1.00 32.35 S ATOM 0 H CYS A 113 -2.379 -2.314 -3.039 1.00 61.12 H new ATOM 0 HA CYS A 113 -0.116 -3.574 -1.779 1.00 33.30 H new ATOM 0 HB2 CYS A 113 -0.739 -1.155 -1.650 1.00 74.23 H new ATOM 0 HB3 CYS A 113 -2.221 -1.587 -0.819 1.00 74.23 H new ATOM 0 HG CYS A 113 -1.063 -1.124 1.478 1.00 32.35 H new ATOM 268 N SER A 114 -1.043 -5.307 -0.267 1.00 61.13 N ATOM 269 CA SER A 114 -1.545 -6.475 0.488 1.00 33.03 C ATOM 270 C SER A 114 -2.022 -6.078 1.899 1.00 31.20 C ATOM 271 O SER A 114 -2.891 -6.737 2.480 1.00 3.52 O ATOM 272 CB SER A 114 -0.433 -7.552 0.565 1.00 21.54 C ATOM 273 OG SER A 114 -0.881 -8.741 1.201 1.00 61.25 O ATOM 0 H SER A 114 -0.030 -5.306 -0.385 1.00 61.13 H new ATOM 0 HA SER A 114 -2.409 -6.883 -0.037 1.00 33.03 H new ATOM 0 HB2 SER A 114 -0.088 -7.788 -0.442 1.00 21.54 H new ATOM 0 HB3 SER A 114 0.422 -7.151 1.109 1.00 21.54 H new ATOM 0 HG SER A 114 -0.150 -9.393 1.227 1.00 61.25 H new ATOM 279 N TYR A 115 -1.449 -4.982 2.429 1.00 0.34 N ATOM 280 CA TYR A 115 -1.763 -4.464 3.776 1.00 13.55 C ATOM 281 C TYR A 115 -3.144 -3.770 3.799 1.00 45.51 C ATOM 282 O TYR A 115 -3.780 -3.684 4.855 1.00 61.41 O ATOM 283 CB TYR A 115 -0.655 -3.481 4.239 1.00 71.03 C ATOM 284 CG TYR A 115 0.752 -4.110 4.369 1.00 41.41 C ATOM 285 CD1 TYR A 115 1.307 -4.399 5.619 1.00 24.01 C ATOM 286 CD2 TYR A 115 1.523 -4.415 3.236 1.00 72.31 C ATOM 287 CE1 TYR A 115 2.564 -4.960 5.735 1.00 71.32 C ATOM 288 CE2 TYR A 115 2.780 -4.977 3.352 1.00 50.51 C ATOM 289 CZ TYR A 115 3.295 -5.246 4.603 1.00 55.31 C ATOM 290 OH TYR A 115 4.551 -5.802 4.727 1.00 5.32 O ATOM 0 H TYR A 115 -0.751 -4.427 1.933 1.00 0.34 H new ATOM 0 HA TYR A 115 -1.801 -5.307 4.466 1.00 13.55 H new ATOM 0 HB2 TYR A 115 -0.604 -2.653 3.532 1.00 71.03 H new ATOM 0 HB3 TYR A 115 -0.941 -3.060 5.203 1.00 71.03 H new ATOM 0 HD1 TYR A 115 0.741 -4.179 6.512 1.00 24.01 H new ATOM 0 HD2 TYR A 115 1.126 -4.206 2.254 1.00 72.31 H new ATOM 0 HE1 TYR A 115 2.973 -5.174 6.711 1.00 71.32 H new ATOM 0 HE2 TYR A 115 3.356 -5.205 2.467 1.00 50.51 H new ATOM 0 HH TYR A 115 4.935 -5.944 3.837 1.00 5.32 H new ATOM 300 N GLY A 116 -3.590 -3.282 2.619 1.00 54.11 N ATOM 301 CA GLY A 116 -4.881 -2.594 2.483 1.00 40.24 C ATOM 302 C GLY A 116 -4.942 -1.272 3.247 1.00 64.34 C ATOM 303 O GLY A 116 -3.937 -0.562 3.330 1.00 52.53 O ATOM 0 H GLY A 116 -3.067 -3.356 1.747 1.00 54.11 H new ATOM 0 HA2 GLY A 116 -5.075 -2.405 1.427 1.00 40.24 H new ATOM 0 HA3 GLY A 116 -5.674 -3.250 2.841 1.00 40.24 H new ATOM 307 N ASP A 117 -6.111 -0.964 3.843 1.00 12.45 N ATOM 308 CA ASP A 117 -6.332 0.292 4.609 1.00 50.35 C ATOM 309 C ASP A 117 -5.455 0.355 5.882 1.00 63.45 C ATOM 310 O ASP A 117 -5.241 1.435 6.444 1.00 22.01 O ATOM 311 CB ASP A 117 -7.827 0.437 4.997 1.00 52.45 C ATOM 312 CG ASP A 117 -8.766 0.491 3.781 1.00 63.11 C ATOM 313 OD1 ASP A 117 -9.344 -0.555 3.406 1.00 63.54 O ATOM 314 OD2 ASP A 117 -8.929 1.584 3.190 1.00 3.11 O ATOM 0 H ASP A 117 -6.929 -1.572 3.811 1.00 12.45 H new ATOM 0 HA ASP A 117 -6.043 1.118 3.960 1.00 50.35 H new ATOM 0 HB2 ASP A 117 -8.114 -0.401 5.632 1.00 52.45 H new ATOM 0 HB3 ASP A 117 -7.956 1.344 5.588 1.00 52.45 H new ATOM 319 N GLN A 118 -4.929 -0.816 6.302 1.00 52.35 N ATOM 320 CA GLN A 118 -4.098 -0.963 7.517 1.00 4.34 C ATOM 321 C GLN A 118 -2.645 -0.470 7.288 1.00 33.41 C ATOM 322 O GLN A 118 -1.798 -0.606 8.179 1.00 70.51 O ATOM 323 CB GLN A 118 -4.095 -2.451 7.999 1.00 22.50 C ATOM 324 CG GLN A 118 -5.463 -3.020 8.468 1.00 3.31 C ATOM 325 CD GLN A 118 -6.498 -3.200 7.349 1.00 75.24 C ATOM 326 OE1 GLN A 118 -7.307 -2.309 7.077 1.00 72.20 O ATOM 327 NE2 GLN A 118 -6.472 -4.347 6.683 1.00 20.30 N ATOM 0 H GLN A 118 -5.071 -1.694 5.803 1.00 52.35 H new ATOM 0 HA GLN A 118 -4.540 -0.337 8.292 1.00 4.34 H new ATOM 0 HB2 GLN A 118 -3.725 -3.075 7.185 1.00 22.50 H new ATOM 0 HB3 GLN A 118 -3.385 -2.544 8.821 1.00 22.50 H new ATOM 0 HG2 GLN A 118 -5.295 -3.984 8.948 1.00 3.31 H new ATOM 0 HG3 GLN A 118 -5.878 -2.355 9.225 1.00 3.31 H new ATOM 0 HE21 GLN A 118 -5.791 -5.065 6.931 1.00 20.30 H new ATOM 0 HE22 GLN A 118 -7.133 -4.511 5.923 1.00 20.30 H new ATOM 336 N CYS A 119 -2.363 0.081 6.088 1.00 12.12 N ATOM 337 CA CYS A 119 -1.093 0.733 5.769 1.00 11.05 C ATOM 338 C CYS A 119 -0.865 1.984 6.637 1.00 51.11 C ATOM 339 O CYS A 119 -1.794 2.772 6.866 1.00 4.42 O ATOM 340 CB CYS A 119 -1.083 1.110 4.275 1.00 52.15 C ATOM 341 SG CYS A 119 -0.949 -0.308 3.165 1.00 12.32 S ATOM 0 H CYS A 119 -3.024 0.081 5.311 1.00 12.12 H new ATOM 0 HA CYS A 119 -0.281 0.038 5.983 1.00 11.05 H new ATOM 0 HB2 CYS A 119 -1.997 1.657 4.042 1.00 52.15 H new ATOM 0 HB3 CYS A 119 -0.250 1.787 4.086 1.00 52.15 H new ATOM 0 HG CYS A 119 0.074 -0.148 2.378 1.00 12.32 H new ATOM 346 N ARG A 120 0.387 2.153 7.096 1.00 65.44 N ATOM 347 CA ARG A 120 0.825 3.344 7.849 1.00 2.04 C ATOM 348 C ARG A 120 1.089 4.535 6.901 1.00 52.44 C ATOM 349 O ARG A 120 1.356 5.648 7.359 1.00 73.00 O ATOM 350 CB ARG A 120 2.084 3.006 8.698 1.00 51.35 C ATOM 351 CG ARG A 120 3.317 2.552 7.883 1.00 33.04 C ATOM 352 CD ARG A 120 4.488 2.089 8.769 1.00 4.23 C ATOM 353 NE ARG A 120 5.662 1.684 7.967 1.00 11.13 N ATOM 354 CZ ARG A 120 6.072 0.417 7.762 1.00 25.22 C ATOM 355 NH1 ARG A 120 5.415 -0.613 8.289 1.00 4.13 N ATOM 356 NH2 ARG A 120 7.150 0.186 7.031 1.00 32.31 N ATOM 0 H ARG A 120 1.127 1.466 6.955 1.00 65.44 H new ATOM 0 HA ARG A 120 0.024 3.641 8.526 1.00 2.04 H new ATOM 0 HB2 ARG A 120 2.357 3.885 9.282 1.00 51.35 H new ATOM 0 HB3 ARG A 120 1.826 2.219 9.407 1.00 51.35 H new ATOM 0 HG2 ARG A 120 3.027 1.737 7.219 1.00 33.04 H new ATOM 0 HG3 ARG A 120 3.651 3.375 7.251 1.00 33.04 H new ATOM 0 HD2 ARG A 120 4.772 2.895 9.446 1.00 4.23 H new ATOM 0 HD3 ARG A 120 4.165 1.252 9.388 1.00 4.23 H new ATOM 0 HE ARG A 120 6.208 2.427 7.532 1.00 11.13 H new ATOM 0 HH11 ARG A 120 4.585 -0.451 8.860 1.00 4.13 H new ATOM 0 HH12 ARG A 120 5.741 -1.565 8.122 1.00 4.13 H new ATOM 0 HH21 ARG A 120 7.668 0.966 6.625 1.00 32.31 H new ATOM 0 HH22 ARG A 120 7.464 -0.772 6.873 1.00 32.31 H new ATOM 370 N PHE A 121 1.012 4.277 5.576 1.00 32.24 N ATOM 371 CA PHE A 121 1.191 5.291 4.525 1.00 53.14 C ATOM 372 C PHE A 121 -0.036 5.317 3.580 1.00 73.32 C ATOM 373 O PHE A 121 -0.808 4.352 3.509 1.00 33.24 O ATOM 374 CB PHE A 121 2.491 5.022 3.733 1.00 45.30 C ATOM 375 CG PHE A 121 3.778 5.136 4.552 1.00 61.22 C ATOM 376 CD1 PHE A 121 4.645 4.052 4.696 1.00 71.33 C ATOM 377 CD2 PHE A 121 4.117 6.337 5.175 1.00 42.24 C ATOM 378 CE1 PHE A 121 5.805 4.166 5.438 1.00 72.30 C ATOM 379 CE2 PHE A 121 5.278 6.447 5.919 1.00 5.11 C ATOM 380 CZ PHE A 121 6.122 5.364 6.048 1.00 65.24 C ATOM 0 H PHE A 121 0.821 3.345 5.207 1.00 32.24 H new ATOM 0 HA PHE A 121 1.275 6.270 4.997 1.00 53.14 H new ATOM 0 HB2 PHE A 121 2.438 4.021 3.304 1.00 45.30 H new ATOM 0 HB3 PHE A 121 2.544 5.723 2.900 1.00 45.30 H new ATOM 0 HD1 PHE A 121 4.406 3.112 4.221 1.00 71.33 H new ATOM 0 HD2 PHE A 121 3.465 7.192 5.075 1.00 42.24 H new ATOM 0 HE1 PHE A 121 6.465 3.317 5.541 1.00 72.30 H new ATOM 0 HE2 PHE A 121 5.524 7.382 6.400 1.00 5.11 H new ATOM 0 HZ PHE A 121 7.030 5.453 6.626 1.00 65.24 H new ATOM 390 N ALA A 122 -0.185 6.449 2.869 1.00 52.24 N ATOM 391 CA ALA A 122 -1.355 6.771 2.031 1.00 14.42 C ATOM 392 C ALA A 122 -1.356 6.011 0.686 1.00 2.13 C ATOM 393 O ALA A 122 -0.303 5.732 0.112 1.00 40.21 O ATOM 394 CB ALA A 122 -1.379 8.290 1.780 1.00 30.41 C ATOM 0 H ALA A 122 0.522 7.184 2.861 1.00 52.24 H new ATOM 0 HA ALA A 122 -2.249 6.453 2.567 1.00 14.42 H new ATOM 0 HB1 ALA A 122 -2.240 8.543 1.161 1.00 30.41 H new ATOM 0 HB2 ALA A 122 -1.450 8.815 2.733 1.00 30.41 H new ATOM 0 HB3 ALA A 122 -0.464 8.589 1.269 1.00 30.41 H new ATOM 400 N HIS A 123 -2.570 5.705 0.197 1.00 52.33 N ATOM 401 CA HIS A 123 -2.804 5.069 -1.124 1.00 23.15 C ATOM 402 C HIS A 123 -3.359 6.111 -2.118 1.00 2.13 C ATOM 403 O HIS A 123 -4.063 5.767 -3.074 1.00 73.53 O ATOM 404 CB HIS A 123 -3.780 3.860 -0.950 1.00 20.33 C ATOM 405 CG HIS A 123 -3.181 2.677 -0.226 1.00 40.53 C ATOM 406 ND1 HIS A 123 -3.903 1.599 0.219 1.00 31.41 N ATOM 407 CD2 HIS A 123 -1.889 2.384 0.051 1.00 51.31 C ATOM 408 CE1 HIS A 123 -3.049 0.714 0.738 1.00 30.23 C ATOM 409 NE2 HIS A 123 -1.802 1.136 0.658 1.00 34.41 N ATOM 0 H HIS A 123 -3.432 5.892 0.710 1.00 52.33 H new ATOM 0 HA HIS A 123 -1.865 4.694 -1.530 1.00 23.15 H new ATOM 0 HB2 HIS A 123 -4.662 4.196 -0.405 1.00 20.33 H new ATOM 0 HB3 HIS A 123 -4.117 3.536 -1.934 1.00 20.33 H new ATOM 0 HD2 HIS A 123 -1.048 3.026 -0.168 1.00 51.31 H new ATOM 0 HE1 HIS A 123 -3.343 -0.231 1.170 1.00 30.23 H new ATOM 0 HE2 HIS A 123 -0.960 0.654 0.972 1.00 34.41 H new ATOM 417 N GLY A 124 -2.982 7.381 -1.903 1.00 35.43 N ATOM 418 CA GLY A 124 -3.415 8.487 -2.747 1.00 40.12 C ATOM 419 C GLY A 124 -2.889 9.819 -2.249 1.00 25.52 C ATOM 420 O GLY A 124 -2.560 9.961 -1.059 1.00 54.43 O ATOM 0 H GLY A 124 -2.369 7.662 -1.138 1.00 35.43 H new ATOM 0 HA2 GLY A 124 -3.072 8.320 -3.768 1.00 40.12 H new ATOM 0 HA3 GLY A 124 -4.504 8.515 -2.777 1.00 40.12 H new ATOM 424 N VAL A 125 -2.818 10.798 -3.165 1.00 21.31 N ATOM 425 CA VAL A 125 -2.300 12.152 -2.883 1.00 3.34 C ATOM 426 C VAL A 125 -3.260 12.942 -1.958 1.00 40.42 C ATOM 427 O VAL A 125 -2.841 13.859 -1.244 1.00 61.30 O ATOM 428 CB VAL A 125 -2.025 12.939 -4.227 1.00 34.12 C ATOM 429 CG1 VAL A 125 -3.324 13.177 -5.033 1.00 23.43 C ATOM 430 CG2 VAL A 125 -1.255 14.265 -3.983 1.00 13.53 C ATOM 0 H VAL A 125 -3.120 10.674 -4.131 1.00 21.31 H new ATOM 0 HA VAL A 125 -1.353 12.044 -2.355 1.00 3.34 H new ATOM 0 HB VAL A 125 -1.380 12.303 -4.833 1.00 34.12 H new ATOM 0 HG11 VAL A 125 -3.090 13.721 -5.948 1.00 23.43 H new ATOM 0 HG12 VAL A 125 -3.776 12.218 -5.286 1.00 23.43 H new ATOM 0 HG13 VAL A 125 -4.023 13.760 -4.433 1.00 23.43 H new ATOM 0 HG21 VAL A 125 -1.089 14.770 -4.935 1.00 13.53 H new ATOM 0 HG22 VAL A 125 -1.840 14.910 -3.327 1.00 13.53 H new ATOM 0 HG23 VAL A 125 -0.295 14.047 -3.516 1.00 13.53 H new ATOM 440 N HIS A 126 -4.545 12.548 -1.962 1.00 25.32 N ATOM 441 CA HIS A 126 -5.598 13.185 -1.149 1.00 50.15 C ATOM 442 C HIS A 126 -5.437 12.823 0.343 1.00 74.34 C ATOM 443 O HIS A 126 -5.719 13.646 1.225 1.00 41.20 O ATOM 444 CB HIS A 126 -6.993 12.745 -1.657 1.00 4.42 C ATOM 445 CG HIS A 126 -7.183 12.903 -3.144 1.00 52.32 C ATOM 446 ND1 HIS A 126 -6.631 12.006 -4.022 1.00 64.04 N ATOM 447 CD2 HIS A 126 -7.857 13.847 -3.849 1.00 21.10 C ATOM 448 CE1 HIS A 126 -6.974 12.413 -5.224 1.00 75.11 C ATOM 449 NE2 HIS A 126 -7.717 13.525 -5.174 1.00 53.23 N ATOM 0 H HIS A 126 -4.885 11.774 -2.533 1.00 25.32 H new ATOM 0 HA HIS A 126 -5.504 14.266 -1.248 1.00 50.15 H new ATOM 0 HB2 HIS A 126 -7.152 11.700 -1.390 1.00 4.42 H new ATOM 0 HB3 HIS A 126 -7.756 13.326 -1.140 1.00 4.42 H new ATOM 0 HD2 HIS A 126 -8.399 14.689 -3.444 1.00 21.10 H new ATOM 0 HE1 HIS A 126 -6.691 11.912 -6.138 1.00 75.11 H new ATOM 0 HE2 HIS A 126 -8.104 14.034 -5.968 1.00 53.23 H new ATOM 457 N GLU A 127 -4.971 11.582 0.609 1.00 25.24 N ATOM 458 CA GLU A 127 -4.797 11.059 1.983 1.00 23.04 C ATOM 459 C GLU A 127 -3.437 11.468 2.585 1.00 22.21 C ATOM 460 O GLU A 127 -3.127 11.089 3.721 1.00 43.22 O ATOM 461 CB GLU A 127 -4.951 9.510 2.030 1.00 73.03 C ATOM 462 CG GLU A 127 -6.254 8.950 1.407 1.00 52.42 C ATOM 463 CD GLU A 127 -6.109 8.566 -0.076 1.00 4.44 C ATOM 464 OE1 GLU A 127 -5.819 7.383 -0.361 1.00 43.20 O ATOM 465 OE2 GLU A 127 -6.269 9.438 -0.957 1.00 51.21 O ATOM 0 H GLU A 127 -4.706 10.918 -0.119 1.00 25.24 H new ATOM 0 HA GLU A 127 -5.587 11.506 2.586 1.00 23.04 H new ATOM 0 HB2 GLU A 127 -4.101 9.062 1.515 1.00 73.03 H new ATOM 0 HB3 GLU A 127 -4.899 9.189 3.070 1.00 73.03 H new ATOM 0 HG2 GLU A 127 -6.570 8.073 1.972 1.00 52.42 H new ATOM 0 HG3 GLU A 127 -7.044 9.695 1.506 1.00 52.42 H new ATOM 472 N LEU A 128 -2.632 12.232 1.826 1.00 61.31 N ATOM 473 CA LEU A 128 -1.353 12.760 2.319 1.00 34.43 C ATOM 474 C LEU A 128 -1.588 13.853 3.373 1.00 44.53 C ATOM 475 O LEU A 128 -2.181 14.897 3.076 1.00 22.42 O ATOM 476 CB LEU A 128 -0.491 13.320 1.156 1.00 53.11 C ATOM 477 CG LEU A 128 0.078 12.269 0.160 1.00 13.51 C ATOM 478 CD1 LEU A 128 0.896 12.945 -0.961 1.00 61.35 C ATOM 479 CD2 LEU A 128 0.914 11.201 0.897 1.00 0.12 C ATOM 0 H LEU A 128 -2.848 12.497 0.865 1.00 61.31 H new ATOM 0 HA LEU A 128 -0.811 11.935 2.781 1.00 34.43 H new ATOM 0 HB2 LEU A 128 -1.094 14.034 0.595 1.00 53.11 H new ATOM 0 HB3 LEU A 128 0.344 13.875 1.584 1.00 53.11 H new ATOM 0 HG LEU A 128 -0.767 11.764 -0.309 1.00 13.51 H new ATOM 0 HD11 LEU A 128 1.280 12.184 -1.641 1.00 61.35 H new ATOM 0 HD12 LEU A 128 0.257 13.635 -1.512 1.00 61.35 H new ATOM 0 HD13 LEU A 128 1.729 13.494 -0.523 1.00 61.35 H new ATOM 0 HD21 LEU A 128 1.299 10.479 0.177 1.00 0.12 H new ATOM 0 HD22 LEU A 128 1.747 11.681 1.410 1.00 0.12 H new ATOM 0 HD23 LEU A 128 0.287 10.687 1.625 1.00 0.12 H new ATOM 491 N ARG A 129 -1.175 13.565 4.612 1.00 34.45 N ATOM 492 CA ARG A 129 -1.017 14.584 5.658 1.00 65.03 C ATOM 493 C ARG A 129 0.343 15.270 5.437 1.00 75.23 C ATOM 494 O ARG A 129 1.338 14.584 5.188 1.00 13.13 O ATOM 495 CB ARG A 129 -1.090 13.956 7.090 1.00 43.21 C ATOM 496 CG ARG A 129 -2.510 13.592 7.598 1.00 5.20 C ATOM 497 CD ARG A 129 -3.185 12.448 6.822 1.00 24.11 C ATOM 498 NE ARG A 129 -4.513 12.115 7.381 1.00 33.34 N ATOM 499 CZ ARG A 129 -5.513 11.508 6.717 1.00 70.14 C ATOM 500 NH1 ARG A 129 -5.376 11.147 5.450 1.00 42.24 N ATOM 501 NH2 ARG A 129 -6.657 11.265 7.329 1.00 5.11 N ATOM 0 H ARG A 129 -0.941 12.621 4.919 1.00 34.45 H new ATOM 0 HA ARG A 129 -1.830 15.307 5.592 1.00 65.03 H new ATOM 0 HB2 ARG A 129 -0.479 13.054 7.102 1.00 43.21 H new ATOM 0 HB3 ARG A 129 -0.641 14.655 7.796 1.00 43.21 H new ATOM 0 HG2 ARG A 129 -2.447 13.314 8.650 1.00 5.20 H new ATOM 0 HG3 ARG A 129 -3.142 14.478 7.540 1.00 5.20 H new ATOM 0 HD2 ARG A 129 -3.292 12.732 5.775 1.00 24.11 H new ATOM 0 HD3 ARG A 129 -2.547 11.564 6.849 1.00 24.11 H new ATOM 0 HE ARG A 129 -4.686 12.367 8.354 1.00 33.34 H new ATOM 0 HH11 ARG A 129 -4.500 11.328 4.960 1.00 42.24 H new ATOM 0 HH12 ARG A 129 -6.147 10.688 4.964 1.00 42.24 H new ATOM 0 HH21 ARG A 129 -6.782 11.537 8.304 1.00 5.11 H new ATOM 0 HH22 ARG A 129 -7.416 10.805 6.827 1.00 5.11 H new ATOM 772 N VAL A 145 22.649 38.149 9.639 1.00 40.22 N ATOM 773 CA VAL A 145 23.581 38.695 8.634 1.00 51.31 C ATOM 774 C VAL A 145 24.339 39.902 9.236 1.00 13.14 C ATOM 775 O VAL A 145 23.768 40.671 10.027 1.00 30.25 O ATOM 776 CB VAL A 145 22.795 39.141 7.330 1.00 0.21 C ATOM 777 CG1 VAL A 145 23.740 39.701 6.235 1.00 41.24 C ATOM 778 CG2 VAL A 145 21.938 37.977 6.769 1.00 50.22 C ATOM 0 HA VAL A 145 24.295 37.920 8.356 1.00 51.31 H new ATOM 0 HB VAL A 145 22.129 39.951 7.627 1.00 0.21 H new ATOM 0 HG11 VAL A 145 23.154 39.992 5.363 1.00 41.24 H new ATOM 0 HG12 VAL A 145 24.271 40.571 6.622 1.00 41.24 H new ATOM 0 HG13 VAL A 145 24.460 38.934 5.949 1.00 41.24 H new ATOM 0 HG21 VAL A 145 21.410 38.311 5.876 1.00 50.22 H new ATOM 0 HG22 VAL A 145 22.586 37.138 6.515 1.00 50.22 H new ATOM 0 HG23 VAL A 145 21.215 37.662 7.521 1.00 50.22 H new ATOM 788 N LEU A 146 25.632 40.037 8.873 1.00 75.34 N ATOM 789 CA LEU A 146 26.458 41.204 9.245 1.00 53.45 C ATOM 790 C LEU A 146 26.097 42.396 8.344 1.00 64.51 C ATOM 791 O LEU A 146 25.748 42.205 7.174 1.00 71.22 O ATOM 792 CB LEU A 146 27.976 40.885 9.100 1.00 11.34 C ATOM 793 CG LEU A 146 28.504 39.622 9.851 1.00 4.10 C ATOM 794 CD1 LEU A 146 30.029 39.459 9.661 1.00 11.41 C ATOM 795 CD2 LEU A 146 28.123 39.645 11.347 1.00 11.41 C ATOM 0 H LEU A 146 26.131 39.343 8.316 1.00 75.34 H new ATOM 0 HA LEU A 146 26.256 41.450 10.288 1.00 53.45 H new ATOM 0 HB2 LEU A 146 28.199 40.768 8.039 1.00 11.34 H new ATOM 0 HB3 LEU A 146 28.540 41.749 9.451 1.00 11.34 H new ATOM 0 HG LEU A 146 28.018 38.752 9.409 1.00 4.10 H new ATOM 0 HD11 LEU A 146 30.369 38.572 10.195 1.00 11.41 H new ATOM 0 HD12 LEU A 146 30.254 39.353 8.600 1.00 11.41 H new ATOM 0 HD13 LEU A 146 30.541 40.337 10.054 1.00 11.41 H new ATOM 0 HD21 LEU A 146 28.508 38.749 11.834 1.00 11.41 H new ATOM 0 HD22 LEU A 146 28.553 40.529 11.819 1.00 11.41 H new ATOM 0 HD23 LEU A 146 27.038 39.673 11.446 1.00 11.41 H new ATOM 807 N CYS A 147 26.201 43.616 8.887 1.00 21.14 N ATOM 808 CA CYS A 147 25.875 44.851 8.161 1.00 65.20 C ATOM 809 C CYS A 147 26.934 45.088 7.065 1.00 64.12 C ATOM 810 O CYS A 147 28.103 45.352 7.375 1.00 63.43 O ATOM 811 CB CYS A 147 25.814 46.020 9.170 1.00 64.43 C ATOM 812 SG CYS A 147 25.066 47.567 8.552 1.00 52.01 S ATOM 0 H CYS A 147 26.514 43.775 9.845 1.00 21.14 H new ATOM 0 HA CYS A 147 24.903 44.773 7.673 1.00 65.20 H new ATOM 0 HB2 CYS A 147 25.252 45.691 10.044 1.00 64.43 H new ATOM 0 HB3 CYS A 147 26.828 46.238 9.506 1.00 64.43 H new ATOM 0 HG CYS A 147 23.785 47.547 8.771 1.00 52.01 H new ATOM 817 N ASP A 148 26.496 44.994 5.793 1.00 11.43 N ATOM 818 CA ASP A 148 27.389 44.948 4.614 1.00 42.21 C ATOM 819 C ASP A 148 28.224 46.223 4.484 1.00 33.22 C ATOM 820 O ASP A 148 29.448 46.160 4.381 1.00 75.01 O ATOM 821 CB ASP A 148 26.579 44.732 3.304 1.00 23.33 C ATOM 822 CG ASP A 148 25.759 43.431 3.283 1.00 52.44 C ATOM 823 OD1 ASP A 148 24.530 43.485 3.054 1.00 14.01 O ATOM 824 OD2 ASP A 148 26.343 42.347 3.488 1.00 22.24 O ATOM 0 H ASP A 148 25.506 44.947 5.552 1.00 11.43 H new ATOM 0 HA ASP A 148 28.062 44.104 4.766 1.00 42.21 H new ATOM 0 HB2 ASP A 148 25.905 45.577 3.162 1.00 23.33 H new ATOM 0 HB3 ASP A 148 27.268 44.729 2.459 1.00 23.33 H new ATOM 829 N LYS A 149 27.542 47.375 4.501 1.00 3.01 N ATOM 830 CA LYS A 149 28.183 48.693 4.324 1.00 21.42 C ATOM 831 C LYS A 149 29.050 49.054 5.543 1.00 63.40 C ATOM 832 O LYS A 149 30.062 49.734 5.405 1.00 12.15 O ATOM 833 CB LYS A 149 27.120 49.801 4.035 1.00 0.30 C ATOM 834 CG LYS A 149 26.608 49.866 2.566 1.00 14.13 C ATOM 835 CD LYS A 149 25.840 48.605 2.095 1.00 30.13 C ATOM 836 CE LYS A 149 24.543 48.365 2.878 1.00 25.10 C ATOM 837 NZ LYS A 149 23.800 47.167 2.394 1.00 64.21 N ATOM 0 H LYS A 149 26.532 47.425 4.637 1.00 3.01 H new ATOM 0 HA LYS A 149 28.840 48.632 3.457 1.00 21.42 H new ATOM 0 HB2 LYS A 149 26.266 49.642 4.693 1.00 0.30 H new ATOM 0 HB3 LYS A 149 27.548 50.769 4.296 1.00 0.30 H new ATOM 0 HG2 LYS A 149 25.956 50.733 2.460 1.00 14.13 H new ATOM 0 HG3 LYS A 149 27.460 50.025 1.905 1.00 14.13 H new ATOM 0 HD2 LYS A 149 25.605 48.704 1.035 1.00 30.13 H new ATOM 0 HD3 LYS A 149 26.486 47.733 2.198 1.00 30.13 H new ATOM 0 HE2 LYS A 149 24.778 48.241 3.935 1.00 25.10 H new ATOM 0 HE3 LYS A 149 23.904 49.244 2.795 1.00 25.10 H new ATOM 0 HZ1 LYS A 149 22.792 47.402 2.290 1.00 64.21 H new ATOM 0 HZ2 LYS A 149 24.183 46.869 1.474 1.00 64.21 H new ATOM 0 HZ3 LYS A 149 23.905 46.393 3.080 1.00 64.21 H new ATOM 851 N PHE A 150 28.671 48.560 6.733 1.00 72.24 N ATOM 852 CA PHE A 150 29.435 48.814 7.968 1.00 43.42 C ATOM 853 C PHE A 150 30.741 47.970 7.964 1.00 71.13 C ATOM 854 O PHE A 150 31.705 48.297 8.661 1.00 73.14 O ATOM 855 CB PHE A 150 28.559 48.529 9.215 1.00 31.32 C ATOM 856 CG PHE A 150 29.115 49.106 10.522 1.00 24.22 C ATOM 857 CD1 PHE A 150 28.970 50.463 10.808 1.00 55.34 C ATOM 858 CD2 PHE A 150 29.774 48.310 11.458 1.00 23.05 C ATOM 859 CE1 PHE A 150 29.463 51.001 11.979 1.00 33.41 C ATOM 860 CE2 PHE A 150 30.267 48.854 12.630 1.00 51.03 C ATOM 861 CZ PHE A 150 30.111 50.197 12.891 1.00 75.21 C ATOM 0 H PHE A 150 27.841 47.983 6.867 1.00 72.24 H new ATOM 0 HA PHE A 150 29.720 49.865 8.010 1.00 43.42 H new ATOM 0 HB2 PHE A 150 27.563 48.938 9.046 1.00 31.32 H new ATOM 0 HB3 PHE A 150 28.446 47.451 9.327 1.00 31.32 H new ATOM 0 HD1 PHE A 150 28.463 51.104 10.101 1.00 55.34 H new ATOM 0 HD2 PHE A 150 29.901 47.255 11.265 1.00 23.05 H new ATOM 0 HE1 PHE A 150 29.341 52.055 12.181 1.00 33.41 H new ATOM 0 HE2 PHE A 150 30.776 48.223 13.343 1.00 51.03 H new ATOM 0 HZ PHE A 150 30.495 50.619 13.808 1.00 75.21 H new ATOM 871 N SER A 151 30.743 46.874 7.177 1.00 31.04 N ATOM 872 CA SER A 151 31.938 46.039 6.947 1.00 43.13 C ATOM 873 C SER A 151 32.827 46.623 5.815 1.00 45.12 C ATOM 874 O SER A 151 34.056 46.683 5.951 1.00 45.43 O ATOM 875 CB SER A 151 31.505 44.594 6.593 1.00 31.52 C ATOM 876 OG SER A 151 30.716 44.017 7.625 1.00 3.25 O ATOM 0 H SER A 151 29.914 46.544 6.683 1.00 31.04 H new ATOM 0 HA SER A 151 32.529 46.029 7.863 1.00 43.13 H new ATOM 0 HB2 SER A 151 30.939 44.601 5.662 1.00 31.52 H new ATOM 0 HB3 SER A 151 32.389 43.980 6.424 1.00 31.52 H new ATOM 0 HG SER A 151 29.820 44.413 7.612 1.00 3.25 H new ATOM 882 N MET A 152 32.190 47.059 4.706 1.00 40.24 N ATOM 883 CA MET A 152 32.903 47.470 3.471 1.00 44.12 C ATOM 884 C MET A 152 33.397 48.925 3.557 1.00 55.13 C ATOM 885 O MET A 152 34.593 49.196 3.382 1.00 13.22 O ATOM 886 CB MET A 152 31.979 47.295 2.230 1.00 54.55 C ATOM 887 CG MET A 152 31.586 45.843 1.912 1.00 62.45 C ATOM 888 SD MET A 152 30.579 45.693 0.414 1.00 42.02 S ATOM 889 CE MET A 152 29.124 46.663 0.830 1.00 33.54 C ATOM 0 H MET A 152 31.175 47.137 4.639 1.00 40.24 H new ATOM 0 HA MET A 152 33.776 46.825 3.365 1.00 44.12 H new ATOM 0 HB2 MET A 152 31.070 47.875 2.388 1.00 54.55 H new ATOM 0 HB3 MET A 152 32.480 47.719 1.360 1.00 54.55 H new ATOM 0 HG2 MET A 152 32.490 45.245 1.797 1.00 62.45 H new ATOM 0 HG3 MET A 152 31.035 45.428 2.756 1.00 62.45 H new ATOM 0 HE1 MET A 152 28.227 46.111 0.552 1.00 33.54 H new ATOM 0 HE2 MET A 152 29.112 46.859 1.902 1.00 33.54 H new ATOM 0 HE3 MET A 152 29.150 47.609 0.289 1.00 33.54 H new ATOM 899 N THR A 153 32.471 49.853 3.850 1.00 50.34 N ATOM 900 CA THR A 153 32.768 51.304 3.900 1.00 25.23 C ATOM 901 C THR A 153 33.053 51.735 5.349 1.00 72.43 C ATOM 902 O THR A 153 33.632 52.801 5.588 1.00 43.11 O ATOM 903 CB THR A 153 31.576 52.159 3.326 1.00 23.22 C ATOM 904 OG1 THR A 153 30.464 52.166 4.240 1.00 73.31 O ATOM 905 CG2 THR A 153 31.087 51.626 1.963 1.00 72.04 C ATOM 0 H THR A 153 31.499 49.626 4.059 1.00 50.34 H new ATOM 0 HA THR A 153 33.647 51.482 3.281 1.00 25.23 H new ATOM 0 HB THR A 153 31.957 53.171 3.193 1.00 23.22 H new ATOM 0 HG1 THR A 153 30.357 51.274 4.632 1.00 73.31 H new ATOM 0 HG21 THR A 153 30.265 52.245 1.604 1.00 72.04 H new ATOM 0 HG22 THR A 153 31.906 51.659 1.245 1.00 72.04 H new ATOM 0 HG23 THR A 153 30.744 50.597 2.076 1.00 72.04 H new ATOM 913 N GLY A 154 32.643 50.883 6.311 1.00 13.31 N ATOM 914 CA GLY A 154 32.807 51.160 7.737 1.00 44.31 C ATOM 915 C GLY A 154 31.674 52.003 8.317 1.00 50.20 C ATOM 916 O GLY A 154 31.722 52.378 9.495 1.00 60.25 O ATOM 0 H GLY A 154 32.192 49.990 6.114 1.00 13.31 H new ATOM 0 HA2 GLY A 154 32.865 50.217 8.280 1.00 44.31 H new ATOM 0 HA3 GLY A 154 33.754 51.677 7.894 1.00 44.31 H new ATOM 920 N ASN A 155 30.641 52.283 7.492 1.00 52.01 N ATOM 921 CA ASN A 155 29.525 53.191 7.846 1.00 14.01 C ATOM 922 C ASN A 155 28.178 52.565 7.451 1.00 2.24 C ATOM 923 O ASN A 155 28.035 52.041 6.345 1.00 44.14 O ATOM 924 CB ASN A 155 29.686 54.568 7.126 1.00 71.32 C ATOM 925 CG ASN A 155 30.917 55.380 7.555 1.00 61.31 C ATOM 926 OD1 ASN A 155 31.542 56.055 6.738 1.00 73.33 O ATOM 927 ND2 ASN A 155 31.244 55.369 8.842 1.00 32.13 N ATOM 0 H ASN A 155 30.557 51.884 6.557 1.00 52.01 H new ATOM 0 HA ASN A 155 29.548 53.347 8.924 1.00 14.01 H new ATOM 0 HB2 ASN A 155 29.739 54.396 6.051 1.00 71.32 H new ATOM 0 HB3 ASN A 155 28.793 55.165 7.310 1.00 71.32 H new ATOM 0 HD21 ASN A 155 32.030 55.929 9.173 1.00 32.13 H new ATOM 0 HD22 ASN A 155 30.710 54.801 9.499 1.00 32.13 H new ATOM 934 N CYS A 156 27.200 52.624 8.374 1.00 42.15 N ATOM 935 CA CYS A 156 25.805 52.215 8.128 1.00 52.33 C ATOM 936 C CYS A 156 24.883 53.414 8.403 1.00 43.43 C ATOM 937 O CYS A 156 24.900 53.971 9.507 1.00 3.40 O ATOM 938 CB CYS A 156 25.441 51.019 9.033 1.00 71.50 C ATOM 939 SG CYS A 156 23.689 50.496 8.987 1.00 64.04 S ATOM 0 H CYS A 156 27.359 52.961 9.323 1.00 42.15 H new ATOM 0 HA CYS A 156 25.682 51.901 7.091 1.00 52.33 H new ATOM 0 HB2 CYS A 156 26.062 50.170 8.749 1.00 71.50 H new ATOM 0 HB3 CYS A 156 25.699 51.273 10.061 1.00 71.50 H new ATOM 0 HG CYS A 156 23.623 49.198 8.997 1.00 64.04 H new ATOM 944 N LYS A 157 24.085 53.801 7.394 1.00 13.42 N ATOM 945 CA LYS A 157 23.231 55.010 7.441 1.00 3.34 C ATOM 946 C LYS A 157 22.079 54.883 8.468 1.00 44.44 C ATOM 947 O LYS A 157 21.577 55.891 8.973 1.00 22.20 O ATOM 948 CB LYS A 157 22.676 55.317 6.023 1.00 61.31 C ATOM 949 CG LYS A 157 21.788 54.203 5.413 1.00 33.12 C ATOM 950 CD LYS A 157 21.316 54.485 3.958 1.00 2.04 C ATOM 951 CE LYS A 157 20.267 55.618 3.823 1.00 33.43 C ATOM 952 NZ LYS A 157 20.818 56.979 4.071 1.00 4.30 N ATOM 0 H LYS A 157 24.010 53.285 6.517 1.00 13.42 H new ATOM 0 HA LYS A 157 23.853 55.841 7.775 1.00 3.34 H new ATOM 0 HB2 LYS A 157 22.097 56.239 6.068 1.00 61.31 H new ATOM 0 HB3 LYS A 157 23.515 55.500 5.352 1.00 61.31 H new ATOM 0 HG2 LYS A 157 22.342 53.264 5.427 1.00 33.12 H new ATOM 0 HG3 LYS A 157 20.912 54.065 6.046 1.00 33.12 H new ATOM 0 HD2 LYS A 157 22.185 54.740 3.352 1.00 2.04 H new ATOM 0 HD3 LYS A 157 20.896 53.569 3.543 1.00 2.04 H new ATOM 0 HE2 LYS A 157 19.839 55.586 2.821 1.00 33.43 H new ATOM 0 HE3 LYS A 157 19.453 55.432 4.524 1.00 33.43 H new ATOM 0 HZ1 LYS A 157 20.420 57.646 3.379 1.00 4.30 H new ATOM 0 HZ2 LYS A 157 20.566 57.286 5.032 1.00 4.30 H new ATOM 0 HZ3 LYS A 157 21.853 56.957 3.975 1.00 4.30 H new ATOM 966 N TYR A 158 21.677 53.632 8.764 1.00 52.20 N ATOM 967 CA TYR A 158 20.568 53.330 9.696 1.00 41.23 C ATOM 968 C TYR A 158 20.992 53.537 11.168 1.00 22.15 C ATOM 969 O TYR A 158 20.161 53.901 12.011 1.00 74.22 O ATOM 970 CB TYR A 158 20.073 51.881 9.481 1.00 42.33 C ATOM 971 CG TYR A 158 19.531 51.596 8.071 1.00 35.34 C ATOM 972 CD1 TYR A 158 20.377 51.175 7.041 1.00 23.43 C ATOM 973 CD2 TYR A 158 18.175 51.752 7.769 1.00 22.22 C ATOM 974 CE1 TYR A 158 19.892 50.917 5.776 1.00 23.42 C ATOM 975 CE2 TYR A 158 17.688 51.492 6.504 1.00 10.30 C ATOM 976 CZ TYR A 158 18.550 51.078 5.512 1.00 70.22 C ATOM 977 OH TYR A 158 18.064 50.823 4.246 1.00 2.34 O ATOM 0 H TYR A 158 22.111 52.800 8.364 1.00 52.20 H new ATOM 0 HA TYR A 158 19.754 54.023 9.484 1.00 41.23 H new ATOM 0 HB2 TYR A 158 20.895 51.195 9.686 1.00 42.33 H new ATOM 0 HB3 TYR A 158 19.290 51.666 10.208 1.00 42.33 H new ATOM 0 HD1 TYR A 158 21.431 51.049 7.240 1.00 23.43 H new ATOM 0 HD2 TYR A 158 17.495 52.082 8.541 1.00 22.22 H new ATOM 0 HE1 TYR A 158 20.562 50.590 4.995 1.00 23.42 H new ATOM 0 HE2 TYR A 158 16.636 51.613 6.293 1.00 10.30 H new ATOM 0 HH TYR A 158 17.097 50.984 4.228 1.00 2.34 H new ATOM 987 N GLY A 159 22.288 53.288 11.454 1.00 42.34 N ATOM 988 CA GLY A 159 22.849 53.433 12.804 1.00 23.41 C ATOM 989 C GLY A 159 22.220 52.476 13.818 1.00 41.45 C ATOM 990 O GLY A 159 22.334 51.257 13.667 1.00 22.12 O ATOM 0 H GLY A 159 22.967 52.983 10.756 1.00 42.34 H new ATOM 0 HA2 GLY A 159 23.924 53.258 12.766 1.00 23.41 H new ATOM 0 HA3 GLY A 159 22.705 54.459 13.143 1.00 23.41 H new ATOM 994 N THR A 160 21.526 53.028 14.830 1.00 41.24 N ATOM 995 CA THR A 160 20.861 52.234 15.882 1.00 21.23 C ATOM 996 C THR A 160 19.621 51.488 15.340 1.00 61.12 C ATOM 997 O THR A 160 19.215 50.465 15.896 1.00 71.33 O ATOM 998 CB THR A 160 20.440 53.138 17.089 1.00 24.21 C ATOM 999 OG1 THR A 160 19.638 54.233 16.615 1.00 0.34 O ATOM 1000 CG2 THR A 160 21.654 53.685 17.862 1.00 2.01 C ATOM 0 H THR A 160 21.410 54.035 14.942 1.00 41.24 H new ATOM 0 HA THR A 160 21.586 51.495 16.224 1.00 21.23 H new ATOM 0 HB THR A 160 19.866 52.518 17.777 1.00 24.21 H new ATOM 0 HG1 THR A 160 19.374 54.797 17.372 1.00 0.34 H new ATOM 0 HG21 THR A 160 21.309 54.306 18.689 1.00 2.01 H new ATOM 0 HG22 THR A 160 22.241 52.854 18.252 1.00 2.01 H new ATOM 0 HG23 THR A 160 22.272 54.283 17.193 1.00 2.01 H new ATOM 1008 N ARG A 161 19.028 52.007 14.245 1.00 23.05 N ATOM 1009 CA ARG A 161 17.821 51.416 13.619 1.00 1.32 C ATOM 1010 C ARG A 161 18.173 50.270 12.640 1.00 11.03 C ATOM 1011 O ARG A 161 17.275 49.703 12.010 1.00 62.21 O ATOM 1012 CB ARG A 161 16.997 52.513 12.893 1.00 11.31 C ATOM 1013 CG ARG A 161 16.536 53.671 13.803 1.00 1.00 C ATOM 1014 CD ARG A 161 15.637 54.683 13.066 1.00 3.24 C ATOM 1015 NE ARG A 161 15.375 55.882 13.882 1.00 2.22 N ATOM 1016 CZ ARG A 161 14.481 56.846 13.592 1.00 22.31 C ATOM 1017 NH1 ARG A 161 13.726 56.777 12.499 1.00 42.15 N ATOM 1018 NH2 ARG A 161 14.353 57.885 14.404 1.00 74.23 N ATOM 0 H ARG A 161 19.368 52.843 13.770 1.00 23.05 H new ATOM 0 HA ARG A 161 17.219 50.985 14.419 1.00 1.32 H new ATOM 0 HB2 ARG A 161 17.597 52.922 12.080 1.00 11.31 H new ATOM 0 HB3 ARG A 161 16.119 52.051 12.440 1.00 11.31 H new ATOM 0 HG2 ARG A 161 15.994 53.264 14.657 1.00 1.00 H new ATOM 0 HG3 ARG A 161 17.411 54.188 14.198 1.00 1.00 H new ATOM 0 HD2 ARG A 161 16.113 54.977 12.131 1.00 3.24 H new ATOM 0 HD3 ARG A 161 14.691 54.207 12.806 1.00 3.24 H new ATOM 0 HE ARG A 161 15.917 55.991 14.739 1.00 2.22 H new ATOM 0 HH11 ARG A 161 13.819 55.984 11.864 1.00 42.15 H new ATOM 0 HH12 ARG A 161 13.054 57.517 12.296 1.00 42.15 H new ATOM 0 HH21 ARG A 161 14.930 57.951 15.243 1.00 74.23 H new ATOM 0 HH22 ARG A 161 13.678 58.619 14.190 1.00 74.23 H new ATOM 1032 N CYS A 162 19.474 49.932 12.529 1.00 32.42 N ATOM 1033 CA CYS A 162 19.954 48.855 11.644 1.00 73.32 C ATOM 1034 C CYS A 162 19.595 47.476 12.221 1.00 72.23 C ATOM 1035 O CYS A 162 19.865 47.196 13.394 1.00 44.13 O ATOM 1036 CB CYS A 162 21.476 48.980 11.458 1.00 31.11 C ATOM 1037 SG CYS A 162 22.208 47.788 10.288 1.00 20.35 S ATOM 0 H CYS A 162 20.218 50.397 13.049 1.00 32.42 H new ATOM 0 HA CYS A 162 19.466 48.952 10.674 1.00 73.32 H new ATOM 0 HB2 CYS A 162 21.704 49.989 11.115 1.00 31.11 H new ATOM 0 HB3 CYS A 162 21.957 48.857 12.428 1.00 31.11 H new ATOM 0 HG CYS A 162 22.672 46.766 10.943 1.00 20.35 H new ATOM 1042 N GLN A 163 18.979 46.624 11.385 1.00 11.22 N ATOM 1043 CA GLN A 163 18.569 45.261 11.781 1.00 62.44 C ATOM 1044 C GLN A 163 19.709 44.240 11.598 1.00 71.04 C ATOM 1045 O GLN A 163 19.526 43.067 11.894 1.00 51.14 O ATOM 1046 CB GLN A 163 17.320 44.814 10.977 1.00 33.30 C ATOM 1047 CG GLN A 163 17.507 44.813 9.446 1.00 44.04 C ATOM 1048 CD GLN A 163 16.331 44.200 8.683 1.00 73.20 C ATOM 1049 OE1 GLN A 163 15.668 43.281 9.166 1.00 64.33 O ATOM 1050 NE2 GLN A 163 16.059 44.709 7.493 1.00 63.04 N ATOM 0 H GLN A 163 18.751 46.857 10.419 1.00 11.22 H new ATOM 0 HA GLN A 163 18.321 45.294 12.842 1.00 62.44 H new ATOM 0 HB2 GLN A 163 17.039 43.810 11.296 1.00 33.30 H new ATOM 0 HB3 GLN A 163 16.488 45.472 11.228 1.00 33.30 H new ATOM 0 HG2 GLN A 163 17.654 45.838 9.106 1.00 44.04 H new ATOM 0 HG3 GLN A 163 18.415 44.262 9.200 1.00 44.04 H new ATOM 0 HE21 GLN A 163 16.628 45.470 7.122 1.00 63.04 H new ATOM 0 HE22 GLN A 163 15.280 44.341 6.947 1.00 63.04 H new ATOM 1059 N PHE A 164 20.877 44.698 11.120 1.00 13.01 N ATOM 1060 CA PHE A 164 22.044 43.834 10.842 1.00 2.14 C ATOM 1061 C PHE A 164 23.182 44.133 11.836 1.00 3.40 C ATOM 1062 O PHE A 164 23.307 45.267 12.322 1.00 52.32 O ATOM 1063 CB PHE A 164 22.520 44.038 9.387 1.00 44.35 C ATOM 1064 CG PHE A 164 21.442 43.777 8.333 1.00 22.25 C ATOM 1065 CD1 PHE A 164 20.943 42.490 8.127 1.00 4.05 C ATOM 1066 CD2 PHE A 164 20.934 44.814 7.543 1.00 72.12 C ATOM 1067 CE1 PHE A 164 19.974 42.250 7.170 1.00 64.12 C ATOM 1068 CE2 PHE A 164 19.966 44.569 6.588 1.00 14.32 C ATOM 1069 CZ PHE A 164 19.487 43.289 6.401 1.00 35.32 C ATOM 0 H PHE A 164 21.043 45.683 10.913 1.00 13.01 H new ATOM 0 HA PHE A 164 21.749 42.792 10.966 1.00 2.14 H new ATOM 0 HB2 PHE A 164 22.882 45.060 9.275 1.00 44.35 H new ATOM 0 HB3 PHE A 164 23.366 43.377 9.197 1.00 44.35 H new ATOM 0 HD1 PHE A 164 21.318 41.671 8.723 1.00 4.05 H new ATOM 0 HD2 PHE A 164 21.303 45.819 7.682 1.00 72.12 H new ATOM 0 HE1 PHE A 164 19.597 41.248 7.024 1.00 64.12 H new ATOM 0 HE2 PHE A 164 19.584 45.381 5.987 1.00 14.32 H new ATOM 0 HZ PHE A 164 18.731 43.099 5.653 1.00 35.32 H new ATOM 1079 N ILE A 165 23.997 43.099 12.124 1.00 25.21 N ATOM 1080 CA ILE A 165 25.063 43.150 13.149 1.00 3.14 C ATOM 1081 C ILE A 165 26.179 44.148 12.766 1.00 62.35 C ATOM 1082 O ILE A 165 26.876 43.953 11.764 1.00 52.43 O ATOM 1083 CB ILE A 165 25.711 41.729 13.374 1.00 53.30 C ATOM 1084 CG1 ILE A 165 24.621 40.665 13.709 1.00 13.34 C ATOM 1085 CG2 ILE A 165 26.800 41.773 14.482 1.00 50.13 C ATOM 1086 CD1 ILE A 165 25.135 39.240 13.830 1.00 40.43 C ATOM 0 H ILE A 165 23.935 42.198 11.650 1.00 25.21 H new ATOM 0 HA ILE A 165 24.587 43.484 14.071 1.00 3.14 H new ATOM 0 HB ILE A 165 26.196 41.436 12.443 1.00 53.30 H new ATOM 0 HG12 ILE A 165 24.139 40.943 14.646 1.00 13.34 H new ATOM 0 HG13 ILE A 165 23.854 40.695 12.935 1.00 13.34 H new ATOM 0 HG21 ILE A 165 27.227 40.779 14.613 1.00 50.13 H new ATOM 0 HG22 ILE A 165 27.586 42.470 14.192 1.00 50.13 H new ATOM 0 HG23 ILE A 165 26.352 42.101 15.420 1.00 50.13 H new ATOM 0 HD11 ILE A 165 24.306 38.573 14.064 1.00 40.43 H new ATOM 0 HD12 ILE A 165 25.590 38.936 12.887 1.00 40.43 H new ATOM 0 HD13 ILE A 165 25.879 39.188 14.625 1.00 40.43 H new ATOM 1098 N HIS A 166 26.327 45.214 13.567 1.00 50.22 N ATOM 1099 CA HIS A 166 27.447 46.161 13.444 1.00 14.04 C ATOM 1100 C HIS A 166 28.706 45.621 14.140 1.00 74.53 C ATOM 1101 O HIS A 166 28.800 45.634 15.371 1.00 5.53 O ATOM 1102 CB HIS A 166 27.070 47.565 14.003 1.00 22.42 C ATOM 1103 CG HIS A 166 26.087 48.329 13.163 1.00 73.43 C ATOM 1104 ND1 HIS A 166 25.747 49.638 13.390 1.00 30.50 N ATOM 1105 CD2 HIS A 166 25.436 47.968 12.030 1.00 21.01 C ATOM 1106 CE1 HIS A 166 24.933 50.026 12.413 1.00 2.34 C ATOM 1107 NE2 HIS A 166 24.709 49.043 11.550 1.00 74.10 N ATOM 0 H HIS A 166 25.675 45.444 14.317 1.00 50.22 H new ATOM 0 HA HIS A 166 27.665 46.272 12.382 1.00 14.04 H new ATOM 0 HB2 HIS A 166 26.656 47.444 15.004 1.00 22.42 H new ATOM 0 HB3 HIS A 166 27.979 48.157 14.104 1.00 22.42 H new ATOM 0 HD2 HIS A 166 25.478 46.991 11.572 1.00 21.01 H new ATOM 0 HE1 HIS A 166 24.508 51.016 12.332 1.00 2.34 H new ATOM 0 HE2 HIS A 166 24.126 49.073 10.713 1.00 74.10 H new ATOM 1115 N LYS A 167 29.648 45.111 13.330 1.00 44.22 N ATOM 1116 CA LYS A 167 31.003 44.743 13.772 1.00 4.44 C ATOM 1117 C LYS A 167 31.995 45.800 13.269 1.00 15.14 C ATOM 1118 O LYS A 167 32.084 46.040 12.054 1.00 45.02 O ATOM 1119 CB LYS A 167 31.396 43.339 13.233 1.00 42.12 C ATOM 1120 CG LYS A 167 30.631 42.167 13.880 1.00 61.01 C ATOM 1121 CD LYS A 167 31.036 40.786 13.306 1.00 31.54 C ATOM 1122 CE LYS A 167 32.543 40.486 13.433 1.00 14.31 C ATOM 1123 NZ LYS A 167 33.008 40.502 14.844 1.00 42.31 N ATOM 0 H LYS A 167 29.488 44.941 12.337 1.00 44.22 H new ATOM 0 HA LYS A 167 31.027 44.703 14.861 1.00 4.44 H new ATOM 0 HB2 LYS A 167 31.226 43.317 12.157 1.00 42.12 H new ATOM 0 HB3 LYS A 167 32.464 43.190 13.390 1.00 42.12 H new ATOM 0 HG2 LYS A 167 30.810 42.174 14.955 1.00 61.01 H new ATOM 0 HG3 LYS A 167 29.561 42.315 13.734 1.00 61.01 H new ATOM 0 HD2 LYS A 167 30.474 40.008 13.822 1.00 31.54 H new ATOM 0 HD3 LYS A 167 30.752 40.741 12.255 1.00 31.54 H new ATOM 0 HE2 LYS A 167 32.754 39.511 12.995 1.00 14.31 H new ATOM 0 HE3 LYS A 167 33.107 41.222 12.859 1.00 14.31 H new ATOM 0 HZ1 LYS A 167 34.027 40.295 14.876 1.00 42.31 H new ATOM 0 HZ2 LYS A 167 32.832 41.440 15.257 1.00 42.31 H new ATOM 0 HZ3 LYS A 167 32.491 39.782 15.388 1.00 42.31 H new