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 107:sc= 1.72 USER MOD Set 1.2: A 156 CYS SG : rot 104:sc= 0.723 USER MOD Set 1.3: A 162 CYS SG : rot -92:sc= 0.294 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 0.763 K(o=3.5,f=-13!) USER MOD Set 2.1: A 104 CYS SG : rot 98:sc= 0.214 USER MOD Set 2.2: A 113 CYS SG : rot 155:sc= -0.781 USER MOD Set 2.3: A 119 CYS SG : rot -102:sc= 2.18 USER MOD Set 2.4: A 123 HIS : no HD1:sc= -0.199 K(o=1.4,f=-9.8!) USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= 0.519 (180deg=0.373) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -179:sc= -1.04 (180deg=-1.04) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.43) 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) USER MOD Single : A 126 HIS : no HD1:sc= 0.0464 K(o=0.046,f=-0.69) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot -0:sc= 0.647 USER MOD Single : A 152 MET CE :methyl -178:sc= -0.287 (180deg=-0.3) USER MOD Single : A 153 THR OG1 : rot -57:sc= 1.56 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 138:sc= -1.07 (180deg=-3.15!) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 -0.193 9.221 10.994 1.00 61.23 N ATOM 37 CA PHE A 99 -0.637 8.151 10.100 1.00 31.54 C ATOM 38 C PHE A 99 -0.600 8.641 8.639 1.00 10.23 C ATOM 39 O PHE A 99 -1.089 9.735 8.337 1.00 20.22 O ATOM 40 CB PHE A 99 -2.064 7.666 10.503 1.00 32.24 C ATOM 41 CG PHE A 99 -2.349 6.200 10.165 1.00 55.30 C ATOM 42 CD1 PHE A 99 -1.748 5.174 10.903 1.00 12.11 C ATOM 43 CD2 PHE A 99 -3.213 5.844 9.131 1.00 0.20 C ATOM 44 CE1 PHE A 99 -2.003 3.846 10.613 1.00 11.14 C ATOM 45 CE2 PHE A 99 -3.464 4.517 8.842 1.00 13.50 C ATOM 46 CZ PHE A 99 -2.861 3.518 9.583 1.00 23.33 C ATOM 0 HA PHE A 99 0.039 7.301 10.190 1.00 31.54 H new ATOM 0 HB2 PHE A 99 -2.195 7.812 11.575 1.00 32.24 H new ATOM 0 HB3 PHE A 99 -2.803 8.292 10.003 1.00 32.24 H new ATOM 0 HD1 PHE A 99 -1.075 5.423 11.711 1.00 12.11 H new ATOM 0 HD2 PHE A 99 -3.693 6.616 8.548 1.00 0.20 H new ATOM 0 HE1 PHE A 99 -1.531 3.066 11.192 1.00 11.14 H new ATOM 0 HE2 PHE A 99 -4.133 4.259 8.035 1.00 13.50 H new ATOM 0 HZ PHE A 99 -3.061 2.481 9.356 1.00 23.33 H new ATOM 56 N LYS A 100 0.010 7.810 7.778 1.00 25.01 N ATOM 57 CA LYS A 100 0.128 7.993 6.302 1.00 0.34 C ATOM 58 C LYS A 100 0.653 9.390 5.887 1.00 14.12 C ATOM 59 O LYS A 100 -0.020 10.173 5.207 1.00 41.52 O ATOM 60 CB LYS A 100 -1.167 7.539 5.535 1.00 53.00 C ATOM 61 CG LYS A 100 -2.487 8.275 5.864 1.00 51.21 C ATOM 62 CD LYS A 100 -3.711 7.668 5.139 1.00 12.55 C ATOM 63 CE LYS A 100 -3.944 6.190 5.497 1.00 44.14 C ATOM 64 NZ LYS A 100 -5.187 5.651 4.889 1.00 63.52 N ATOM 0 H LYS A 100 0.458 6.950 8.095 1.00 25.01 H new ATOM 0 HA LYS A 100 0.913 7.310 5.977 1.00 0.34 H new ATOM 0 HB2 LYS A 100 -0.980 7.646 4.467 1.00 53.00 H new ATOM 0 HB3 LYS A 100 -1.317 6.477 5.728 1.00 53.00 H new ATOM 0 HG2 LYS A 100 -2.656 8.244 6.940 1.00 51.21 H new ATOM 0 HG3 LYS A 100 -2.391 9.325 5.587 1.00 51.21 H new ATOM 0 HD2 LYS A 100 -4.601 8.243 5.394 1.00 12.55 H new ATOM 0 HD3 LYS A 100 -3.571 7.758 4.062 1.00 12.55 H new ATOM 0 HE2 LYS A 100 -3.092 5.599 5.161 1.00 44.14 H new ATOM 0 HE3 LYS A 100 -3.997 6.085 6.581 1.00 44.14 H new ATOM 0 HZ1 LYS A 100 -5.146 4.612 4.878 1.00 63.52 H new ATOM 0 HZ2 LYS A 100 -6.008 5.959 5.448 1.00 63.52 H new ATOM 0 HZ3 LYS A 100 -5.279 6.005 3.915 1.00 63.52 H new ATOM 78 N THR A 101 1.893 9.666 6.323 1.00 3.03 N ATOM 79 CA THR A 101 2.634 10.902 6.001 1.00 21.02 C ATOM 80 C THR A 101 3.327 10.820 4.623 1.00 71.22 C ATOM 81 O THR A 101 3.818 11.831 4.110 1.00 54.11 O ATOM 82 CB THR A 101 3.690 11.186 7.124 1.00 0.44 C ATOM 83 OG1 THR A 101 4.459 9.997 7.383 1.00 24.41 O ATOM 84 CG2 THR A 101 3.029 11.646 8.432 1.00 52.12 C ATOM 0 H THR A 101 2.420 9.028 6.919 1.00 3.03 H new ATOM 0 HA THR A 101 1.917 11.721 5.952 1.00 21.02 H new ATOM 0 HB THR A 101 4.336 11.988 6.767 1.00 0.44 H new ATOM 0 HG1 THR A 101 5.119 10.180 8.084 1.00 24.41 H new ATOM 0 HG21 THR A 101 3.797 11.831 9.182 1.00 52.12 H new ATOM 0 HG22 THR A 101 2.468 12.563 8.253 1.00 52.12 H new ATOM 0 HG23 THR A 101 2.352 10.870 8.790 1.00 52.12 H new ATOM 92 N ALA A 102 3.346 9.612 4.032 1.00 53.24 N ATOM 93 CA ALA A 102 3.969 9.346 2.724 1.00 54.43 C ATOM 94 C ALA A 102 3.174 8.266 1.983 1.00 10.21 C ATOM 95 O ALA A 102 2.321 7.601 2.579 1.00 53.45 O ATOM 96 CB ALA A 102 5.438 8.926 2.898 1.00 43.35 C ATOM 0 H ALA A 102 2.925 8.785 4.454 1.00 53.24 H new ATOM 0 HA ALA A 102 3.954 10.260 2.131 1.00 54.43 H new ATOM 0 HB1 ALA A 102 5.880 8.734 1.920 1.00 43.35 H new ATOM 0 HB2 ALA A 102 5.989 9.725 3.394 1.00 43.35 H new ATOM 0 HB3 ALA A 102 5.488 8.021 3.503 1.00 43.35 H new ATOM 102 N LEU A 103 3.443 8.116 0.679 1.00 23.12 N ATOM 103 CA LEU A 103 2.781 7.109 -0.164 1.00 64.53 C ATOM 104 C LEU A 103 3.348 5.705 0.113 1.00 42.24 C ATOM 105 O LEU A 103 4.534 5.541 0.423 1.00 10.41 O ATOM 106 CB LEU A 103 2.927 7.478 -1.661 1.00 30.23 C ATOM 107 CG LEU A 103 2.189 8.779 -2.109 1.00 34.23 C ATOM 108 CD1 LEU A 103 2.576 9.182 -3.546 1.00 64.44 C ATOM 109 CD2 LEU A 103 0.656 8.621 -1.966 1.00 3.13 C ATOM 0 H LEU A 103 4.124 8.688 0.179 1.00 23.12 H new ATOM 0 HA LEU A 103 1.720 7.096 0.084 1.00 64.53 H new ATOM 0 HB2 LEU A 103 3.987 7.586 -1.889 1.00 30.23 H new ATOM 0 HB3 LEU A 103 2.556 6.646 -2.260 1.00 30.23 H new ATOM 0 HG LEU A 103 2.508 9.585 -1.448 1.00 34.23 H new ATOM 0 HD11 LEU A 103 2.044 10.091 -3.825 1.00 64.44 H new ATOM 0 HD12 LEU A 103 3.650 9.360 -3.597 1.00 64.44 H new ATOM 0 HD13 LEU A 103 2.308 8.380 -4.234 1.00 64.44 H new ATOM 0 HD21 LEU A 103 0.164 9.540 -2.284 1.00 3.13 H new ATOM 0 HD22 LEU A 103 0.316 7.793 -2.588 1.00 3.13 H new ATOM 0 HD23 LEU A 103 0.407 8.418 -0.924 1.00 3.13 H new ATOM 121 N CYS A 104 2.473 4.711 -0.041 1.00 21.34 N ATOM 122 CA CYS A 104 2.750 3.302 0.248 1.00 22.00 C ATOM 123 C CYS A 104 3.629 2.705 -0.851 1.00 22.44 C ATOM 124 O CYS A 104 3.193 2.600 -1.995 1.00 2.32 O ATOM 125 CB CYS A 104 1.397 2.567 0.351 1.00 22.40 C ATOM 126 SG CYS A 104 1.463 0.767 0.614 1.00 33.01 S ATOM 0 H CYS A 104 1.524 4.868 -0.380 1.00 21.34 H new ATOM 0 HA CYS A 104 3.293 3.197 1.187 1.00 22.00 H new ATOM 0 HB2 CYS A 104 0.830 3.010 1.170 1.00 22.40 H new ATOM 0 HB3 CYS A 104 0.836 2.757 -0.564 1.00 22.40 H new ATOM 0 HG CYS A 104 1.304 0.507 1.878 1.00 33.01 H new ATOM 131 N ASP A 105 4.875 2.352 -0.495 1.00 72.05 N ATOM 132 CA ASP A 105 5.866 1.779 -1.430 1.00 42.33 C ATOM 133 C ASP A 105 5.405 0.426 -1.983 1.00 11.34 C ATOM 134 O ASP A 105 5.658 0.120 -3.143 1.00 30.10 O ATOM 135 CB ASP A 105 7.248 1.657 -0.741 1.00 1.55 C ATOM 136 CG ASP A 105 7.869 3.029 -0.444 1.00 53.35 C ATOM 137 OD1 ASP A 105 7.587 3.608 0.624 1.00 64.45 O ATOM 138 OD2 ASP A 105 8.600 3.561 -1.307 1.00 31.41 O ATOM 0 H ASP A 105 5.229 2.456 0.456 1.00 72.05 H new ATOM 0 HA ASP A 105 5.960 2.458 -2.278 1.00 42.33 H new ATOM 0 HB2 ASP A 105 7.141 1.099 0.189 1.00 1.55 H new ATOM 0 HB3 ASP A 105 7.922 1.085 -1.379 1.00 1.55 H new ATOM 143 N ALA A 106 4.703 -0.356 -1.146 1.00 44.44 N ATOM 144 CA ALA A 106 4.092 -1.638 -1.553 1.00 23.25 C ATOM 145 C ALA A 106 3.078 -1.412 -2.696 1.00 60.04 C ATOM 146 O ALA A 106 3.031 -2.168 -3.672 1.00 64.30 O ATOM 147 CB ALA A 106 3.422 -2.303 -0.339 1.00 52.12 C ATOM 0 H ALA A 106 4.542 -0.119 -0.167 1.00 44.44 H new ATOM 0 HA ALA A 106 4.870 -2.305 -1.925 1.00 23.25 H new ATOM 0 HB1 ALA A 106 2.973 -3.248 -0.644 1.00 52.12 H new ATOM 0 HB2 ALA A 106 4.169 -2.489 0.433 1.00 52.12 H new ATOM 0 HB3 ALA A 106 2.649 -1.644 0.056 1.00 52.12 H new ATOM 153 N TYR A 107 2.309 -0.321 -2.561 1.00 24.42 N ATOM 154 CA TYR A 107 1.321 0.110 -3.558 1.00 60.23 C ATOM 155 C TYR A 107 2.007 0.724 -4.802 1.00 22.52 C ATOM 156 O TYR A 107 1.511 0.571 -5.911 1.00 32.11 O ATOM 157 CB TYR A 107 0.340 1.117 -2.898 1.00 40.11 C ATOM 158 CG TYR A 107 -0.644 1.811 -3.857 1.00 3.33 C ATOM 159 CD1 TYR A 107 -0.452 3.142 -4.245 1.00 42.20 C ATOM 160 CD2 TYR A 107 -1.751 1.138 -4.376 1.00 70.24 C ATOM 161 CE1 TYR A 107 -1.325 3.770 -5.107 1.00 21.45 C ATOM 162 CE2 TYR A 107 -2.626 1.767 -5.240 1.00 72.21 C ATOM 163 CZ TYR A 107 -2.410 3.081 -5.603 1.00 1.54 C ATOM 164 OH TYR A 107 -3.288 3.705 -6.466 1.00 1.33 O ATOM 0 H TYR A 107 2.357 0.292 -1.747 1.00 24.42 H new ATOM 0 HA TYR A 107 0.761 -0.759 -3.905 1.00 60.23 H new ATOM 0 HB2 TYR A 107 -0.234 0.591 -2.135 1.00 40.11 H new ATOM 0 HB3 TYR A 107 0.923 1.883 -2.387 1.00 40.11 H new ATOM 0 HD1 TYR A 107 0.397 3.688 -3.861 1.00 42.20 H new ATOM 0 HD2 TYR A 107 -1.926 0.109 -4.098 1.00 70.24 H new ATOM 0 HE1 TYR A 107 -1.159 4.798 -5.393 1.00 21.45 H new ATOM 0 HE2 TYR A 107 -3.478 1.231 -5.631 1.00 72.21 H new ATOM 0 HH TYR A 107 -3.996 3.078 -6.722 1.00 1.33 H new ATOM 174 N LYS A 108 3.147 1.418 -4.616 1.00 42.11 N ATOM 175 CA LYS A 108 3.852 2.097 -5.731 1.00 62.05 C ATOM 176 C LYS A 108 4.621 1.091 -6.613 1.00 21.41 C ATOM 177 O LYS A 108 4.771 1.309 -7.822 1.00 4.02 O ATOM 178 CB LYS A 108 4.814 3.210 -5.216 1.00 10.20 C ATOM 179 CG LYS A 108 4.113 4.396 -4.503 1.00 4.01 C ATOM 180 CD LYS A 108 5.022 5.642 -4.337 1.00 43.14 C ATOM 181 CE LYS A 108 6.273 5.390 -3.473 1.00 23.25 C ATOM 182 NZ LYS A 108 5.945 5.137 -2.044 1.00 41.11 N ATOM 0 H LYS A 108 3.601 1.525 -3.709 1.00 42.11 H new ATOM 0 HA LYS A 108 3.084 2.571 -6.343 1.00 62.05 H new ATOM 0 HB2 LYS A 108 5.530 2.762 -4.527 1.00 10.20 H new ATOM 0 HB3 LYS A 108 5.384 3.597 -6.060 1.00 10.20 H new ATOM 0 HG2 LYS A 108 3.225 4.677 -5.069 1.00 4.01 H new ATOM 0 HG3 LYS A 108 3.774 4.070 -3.520 1.00 4.01 H new ATOM 0 HD2 LYS A 108 5.336 5.985 -5.323 1.00 43.14 H new ATOM 0 HD3 LYS A 108 4.440 6.448 -3.890 1.00 43.14 H new ATOM 0 HE2 LYS A 108 6.819 4.535 -3.873 1.00 23.25 H new ATOM 0 HE3 LYS A 108 6.936 6.252 -3.542 1.00 23.25 H new ATOM 0 HZ1 LYS A 108 6.823 4.991 -1.507 1.00 41.11 H new ATOM 0 HZ2 LYS A 108 5.433 5.955 -1.655 1.00 41.11 H new ATOM 0 HZ3 LYS A 108 5.349 4.288 -1.970 1.00 41.11 H new ATOM 196 N ARG A 109 5.101 -0.008 -6.004 1.00 21.43 N ATOM 197 CA ARG A 109 5.886 -1.039 -6.715 1.00 22.10 C ATOM 198 C ARG A 109 4.959 -2.065 -7.393 1.00 64.01 C ATOM 199 O ARG A 109 5.096 -2.342 -8.586 1.00 35.24 O ATOM 200 CB ARG A 109 6.856 -1.766 -5.738 1.00 53.51 C ATOM 201 CG ARG A 109 7.954 -0.877 -5.114 1.00 74.52 C ATOM 202 CD ARG A 109 8.898 -0.269 -6.162 1.00 52.34 C ATOM 203 NE ARG A 109 9.586 -1.304 -6.955 1.00 72.13 N ATOM 204 CZ ARG A 109 10.190 -1.100 -8.138 1.00 25.34 C ATOM 205 NH1 ARG A 109 10.214 0.103 -8.702 1.00 52.21 N ATOM 206 NH2 ARG A 109 10.761 -2.113 -8.762 1.00 2.44 N ATOM 0 H ARG A 109 4.959 -0.208 -5.014 1.00 21.43 H new ATOM 0 HA ARG A 109 6.473 -0.537 -7.484 1.00 22.10 H new ATOM 0 HB2 ARG A 109 6.270 -2.209 -4.933 1.00 53.51 H new ATOM 0 HB3 ARG A 109 7.336 -2.586 -6.272 1.00 53.51 H new ATOM 0 HG2 ARG A 109 7.485 -0.074 -4.546 1.00 74.52 H new ATOM 0 HG3 ARG A 109 8.536 -1.469 -4.408 1.00 74.52 H new ATOM 0 HD2 ARG A 109 8.330 0.380 -6.829 1.00 52.34 H new ATOM 0 HD3 ARG A 109 9.638 0.357 -5.663 1.00 52.34 H new ATOM 0 HE ARG A 109 9.605 -2.251 -6.575 1.00 72.13 H new ATOM 0 HH11 ARG A 109 9.768 0.894 -8.236 1.00 52.21 H new ATOM 0 HH12 ARG A 109 10.678 0.236 -9.601 1.00 52.21 H new ATOM 0 HH21 ARG A 109 10.742 -3.044 -8.346 1.00 2.44 H new ATOM 0 HH22 ARG A 109 11.221 -1.965 -9.660 1.00 2.44 H new ATOM 220 N SER A 110 4.002 -2.605 -6.624 1.00 74.53 N ATOM 221 CA SER A 110 3.145 -3.731 -7.070 1.00 32.14 C ATOM 222 C SER A 110 1.777 -3.260 -7.613 1.00 35.00 C ATOM 223 O SER A 110 0.986 -4.089 -8.079 1.00 75.22 O ATOM 224 CB SER A 110 2.941 -4.697 -5.886 1.00 23.41 C ATOM 225 OG SER A 110 4.184 -5.098 -5.331 1.00 74.24 O ATOM 0 H SER A 110 3.795 -2.281 -5.679 1.00 74.53 H new ATOM 0 HA SER A 110 3.651 -4.233 -7.895 1.00 32.14 H new ATOM 0 HB2 SER A 110 2.336 -4.214 -5.119 1.00 23.41 H new ATOM 0 HB3 SER A 110 2.389 -5.575 -6.221 1.00 23.41 H new ATOM 0 HG SER A 110 4.026 -5.709 -4.581 1.00 74.24 H new ATOM 231 N GLN A 111 1.510 -1.933 -7.517 1.00 32.12 N ATOM 232 CA GLN A 111 0.226 -1.296 -7.919 1.00 21.31 C ATOM 233 C GLN A 111 -0.943 -1.690 -6.982 1.00 32.33 C ATOM 234 O GLN A 111 -2.100 -1.336 -7.241 1.00 74.43 O ATOM 235 CB GLN A 111 -0.114 -1.531 -9.423 1.00 62.32 C ATOM 236 CG GLN A 111 0.881 -0.867 -10.404 1.00 34.34 C ATOM 237 CD GLN A 111 0.539 -1.079 -11.882 1.00 63.41 C ATOM 238 OE1 GLN A 111 -0.625 -1.229 -12.255 1.00 52.44 O ATOM 239 NE2 GLN A 111 1.553 -1.076 -12.738 1.00 75.31 N ATOM 0 H GLN A 111 2.189 -1.264 -7.153 1.00 32.12 H new ATOM 0 HA GLN A 111 0.368 -0.221 -7.804 1.00 21.31 H new ATOM 0 HB2 GLN A 111 -0.138 -2.603 -9.616 1.00 62.32 H new ATOM 0 HB3 GLN A 111 -1.115 -1.149 -9.623 1.00 62.32 H new ATOM 0 HG2 GLN A 111 0.916 0.203 -10.200 1.00 34.34 H new ATOM 0 HG3 GLN A 111 1.880 -1.260 -10.213 1.00 34.34 H new ATOM 0 HE21 GLN A 111 2.507 -0.949 -12.399 1.00 75.31 H new ATOM 0 HE22 GLN A 111 1.379 -1.200 -13.735 1.00 75.31 H new ATOM 248 N ALA A 112 -0.605 -2.357 -5.858 1.00 63.30 N ATOM 249 CA ALA A 112 -1.569 -2.821 -4.847 1.00 71.04 C ATOM 250 C ALA A 112 -0.827 -3.149 -3.541 1.00 34.11 C ATOM 251 O ALA A 112 0.315 -3.625 -3.573 1.00 50.42 O ATOM 252 CB ALA A 112 -2.350 -4.049 -5.351 1.00 51.33 C ATOM 0 H ALA A 112 0.361 -2.590 -5.627 1.00 63.30 H new ATOM 0 HA ALA A 112 -2.290 -2.026 -4.659 1.00 71.04 H new ATOM 0 HB1 ALA A 112 -3.055 -4.371 -4.585 1.00 51.33 H new ATOM 0 HB2 ALA A 112 -2.895 -3.787 -6.258 1.00 51.33 H new ATOM 0 HB3 ALA A 112 -1.654 -4.859 -5.567 1.00 51.33 H new ATOM 258 N CYS A 113 -1.481 -2.870 -2.405 1.00 60.23 N ATOM 259 CA CYS A 113 -0.941 -3.123 -1.057 1.00 0.43 C ATOM 260 C CYS A 113 -1.882 -4.072 -0.291 1.00 40.32 C ATOM 261 O CYS A 113 -3.091 -3.824 -0.218 1.00 13.15 O ATOM 262 CB CYS A 113 -0.786 -1.778 -0.318 1.00 41.23 C ATOM 263 SG CYS A 113 -0.367 -1.878 1.456 1.00 23.31 S ATOM 0 H CYS A 113 -2.413 -2.456 -2.394 1.00 60.23 H new ATOM 0 HA CYS A 113 0.037 -3.600 -1.126 1.00 0.43 H new ATOM 0 HB2 CYS A 113 -0.012 -1.198 -0.821 1.00 41.23 H new ATOM 0 HB3 CYS A 113 -1.718 -1.222 -0.419 1.00 41.23 H new ATOM 0 HG CYS A 113 0.233 -0.785 1.822 1.00 23.31 H new ATOM 268 N SER A 114 -1.311 -5.144 0.288 1.00 13.53 N ATOM 269 CA SER A 114 -2.065 -6.200 1.004 1.00 23.00 C ATOM 270 C SER A 114 -2.558 -5.726 2.386 1.00 42.22 C ATOM 271 O SER A 114 -3.510 -6.286 2.941 1.00 75.30 O ATOM 272 CB SER A 114 -1.167 -7.453 1.155 1.00 32.14 C ATOM 273 OG SER A 114 0.064 -7.138 1.796 1.00 55.41 O ATOM 0 H SER A 114 -0.304 -5.307 0.274 1.00 13.53 H new ATOM 0 HA SER A 114 -2.950 -6.443 0.416 1.00 23.00 H new ATOM 0 HB2 SER A 114 -1.695 -8.213 1.732 1.00 32.14 H new ATOM 0 HB3 SER A 114 -0.968 -7.880 0.172 1.00 32.14 H new ATOM 0 HG SER A 114 0.607 -7.950 1.878 1.00 55.41 H new ATOM 279 N TYR A 115 -1.896 -4.691 2.924 1.00 13.35 N ATOM 280 CA TYR A 115 -2.174 -4.154 4.269 1.00 10.32 C ATOM 281 C TYR A 115 -3.532 -3.412 4.303 1.00 11.41 C ATOM 282 O TYR A 115 -4.162 -3.324 5.359 1.00 22.51 O ATOM 283 CB TYR A 115 -1.024 -3.215 4.710 1.00 51.54 C ATOM 284 CG TYR A 115 0.378 -3.865 4.757 1.00 13.11 C ATOM 285 CD1 TYR A 115 0.991 -4.188 5.972 1.00 44.13 C ATOM 286 CD2 TYR A 115 1.096 -4.133 3.582 1.00 62.41 C ATOM 287 CE1 TYR A 115 2.257 -4.748 6.010 1.00 4.14 C ATOM 288 CE2 TYR A 115 2.354 -4.697 3.619 1.00 52.41 C ATOM 289 CZ TYR A 115 2.933 -4.999 4.832 1.00 31.31 C ATOM 290 OH TYR A 115 4.199 -5.549 4.867 1.00 42.45 O ATOM 0 H TYR A 115 -1.147 -4.198 2.437 1.00 13.35 H new ATOM 0 HA TYR A 115 -2.236 -4.988 4.968 1.00 10.32 H new ATOM 0 HB2 TYR A 115 -0.990 -2.365 4.029 1.00 51.54 H new ATOM 0 HB3 TYR A 115 -1.257 -2.821 5.699 1.00 51.54 H new ATOM 0 HD1 TYR A 115 0.468 -3.997 6.897 1.00 44.13 H new ATOM 0 HD2 TYR A 115 0.654 -3.892 2.627 1.00 62.41 H new ATOM 0 HE1 TYR A 115 2.715 -4.988 6.958 1.00 4.14 H new ATOM 0 HE2 TYR A 115 2.883 -4.901 2.700 1.00 52.41 H new ATOM 0 HH TYR A 115 4.532 -5.662 3.952 1.00 42.45 H new ATOM 300 N GLY A 116 -3.961 -2.886 3.130 1.00 10.20 N ATOM 301 CA GLY A 116 -5.271 -2.234 2.979 1.00 21.32 C ATOM 302 C GLY A 116 -5.401 -0.950 3.793 1.00 74.35 C ATOM 303 O GLY A 116 -4.534 -0.082 3.717 1.00 24.14 O ATOM 0 H GLY A 116 -3.409 -2.905 2.273 1.00 10.20 H new ATOM 0 HA2 GLY A 116 -5.437 -2.007 1.926 1.00 21.32 H new ATOM 0 HA3 GLY A 116 -6.053 -2.930 3.283 1.00 21.32 H new ATOM 307 N ASP A 117 -6.475 -0.839 4.592 1.00 4.02 N ATOM 308 CA ASP A 117 -6.710 0.331 5.472 1.00 21.11 C ATOM 309 C ASP A 117 -5.833 0.273 6.737 1.00 60.34 C ATOM 310 O ASP A 117 -5.668 1.282 7.433 1.00 22.22 O ATOM 311 CB ASP A 117 -8.211 0.439 5.846 1.00 13.52 C ATOM 312 CG ASP A 117 -9.098 0.739 4.625 1.00 62.10 C ATOM 313 OD1 ASP A 117 -9.233 1.926 4.255 1.00 21.11 O ATOM 314 OD2 ASP A 117 -9.641 -0.207 4.015 1.00 51.44 O ATOM 0 H ASP A 117 -7.204 -1.550 4.650 1.00 4.02 H new ATOM 0 HA ASP A 117 -6.426 1.226 4.918 1.00 21.11 H new ATOM 0 HB2 ASP A 117 -8.536 -0.493 6.308 1.00 13.52 H new ATOM 0 HB3 ASP A 117 -8.342 1.225 6.589 1.00 13.52 H new ATOM 319 N GLN A 118 -5.256 -0.911 7.019 1.00 41.34 N ATOM 320 CA GLN A 118 -4.292 -1.100 8.124 1.00 40.31 C ATOM 321 C GLN A 118 -2.867 -0.676 7.696 1.00 3.14 C ATOM 322 O GLN A 118 -1.922 -0.766 8.490 1.00 25.21 O ATOM 323 CB GLN A 118 -4.303 -2.579 8.591 1.00 3.21 C ATOM 324 CG GLN A 118 -5.681 -3.087 9.060 1.00 13.22 C ATOM 325 CD GLN A 118 -5.671 -4.563 9.467 1.00 45.02 C ATOM 326 OE1 GLN A 118 -5.456 -4.902 10.634 1.00 13.23 O ATOM 327 NE2 GLN A 118 -5.870 -5.452 8.502 1.00 0.05 N ATOM 0 H GLN A 118 -5.443 -1.762 6.490 1.00 41.34 H new ATOM 0 HA GLN A 118 -4.594 -0.465 8.957 1.00 40.31 H new ATOM 0 HB2 GLN A 118 -3.956 -3.209 7.772 1.00 3.21 H new ATOM 0 HB3 GLN A 118 -3.589 -2.695 9.407 1.00 3.21 H new ATOM 0 HG2 GLN A 118 -6.015 -2.486 9.906 1.00 13.22 H new ATOM 0 HG3 GLN A 118 -6.407 -2.942 8.260 1.00 13.22 H new ATOM 0 HE21 GLN A 118 -6.045 -5.138 7.547 1.00 0.05 H new ATOM 0 HE22 GLN A 118 -5.848 -6.449 8.715 1.00 0.05 H new ATOM 336 N CYS A 119 -2.721 -0.229 6.430 1.00 45.11 N ATOM 337 CA CYS A 119 -1.456 0.299 5.902 1.00 21.12 C ATOM 338 C CYS A 119 -1.164 1.680 6.512 1.00 3.40 C ATOM 339 O CYS A 119 -2.014 2.581 6.459 1.00 62.02 O ATOM 340 CB CYS A 119 -1.525 0.391 4.364 1.00 23.13 C ATOM 341 SG CYS A 119 0.042 0.802 3.541 1.00 42.31 S ATOM 0 H CYS A 119 -3.481 -0.226 5.749 1.00 45.11 H new ATOM 0 HA CYS A 119 -0.646 -0.378 6.175 1.00 21.12 H new ATOM 0 HB2 CYS A 119 -1.882 -0.563 3.975 1.00 23.13 H new ATOM 0 HB3 CYS A 119 -2.267 1.143 4.094 1.00 23.13 H new ATOM 0 HG CYS A 119 0.035 2.055 3.195 1.00 42.31 H new ATOM 346 N ARG A 120 0.042 1.834 7.082 1.00 0.14 N ATOM 347 CA ARG A 120 0.474 3.081 7.745 1.00 74.12 C ATOM 348 C ARG A 120 0.943 4.147 6.727 1.00 52.11 C ATOM 349 O ARG A 120 1.413 5.217 7.125 1.00 10.05 O ATOM 350 CB ARG A 120 1.590 2.772 8.780 1.00 5.51 C ATOM 351 CG ARG A 120 2.888 2.183 8.179 1.00 30.31 C ATOM 352 CD ARG A 120 3.991 1.980 9.229 1.00 42.25 C ATOM 353 NE ARG A 120 5.254 1.513 8.623 1.00 53.50 N ATOM 354 CZ ARG A 120 6.471 1.631 9.185 1.00 20.15 C ATOM 355 NH1 ARG A 120 6.624 2.205 10.377 1.00 41.44 N ATOM 356 NH2 ARG A 120 7.533 1.164 8.545 1.00 54.40 N ATOM 0 H ARG A 120 0.748 1.098 7.098 1.00 0.14 H new ATOM 0 HA ARG A 120 -0.387 3.499 8.266 1.00 74.12 H new ATOM 0 HB2 ARG A 120 1.837 3.691 9.312 1.00 5.51 H new ATOM 0 HB3 ARG A 120 1.198 2.072 9.518 1.00 5.51 H new ATOM 0 HG2 ARG A 120 2.663 1.227 7.706 1.00 30.31 H new ATOM 0 HG3 ARG A 120 3.255 2.847 7.397 1.00 30.31 H new ATOM 0 HD2 ARG A 120 4.167 2.918 9.756 1.00 42.25 H new ATOM 0 HD3 ARG A 120 3.656 1.256 9.971 1.00 42.25 H new ATOM 0 HE ARG A 120 5.200 1.066 7.708 1.00 53.50 H new ATOM 0 HH11 ARG A 120 5.811 2.563 10.879 1.00 41.44 H new ATOM 0 HH12 ARG A 120 7.554 2.286 10.788 1.00 41.44 H new ATOM 0 HH21 ARG A 120 7.424 0.719 7.634 1.00 54.40 H new ATOM 0 HH22 ARG A 120 8.459 1.249 8.964 1.00 54.40 H new ATOM 370 N PHE A 121 0.823 3.840 5.417 1.00 63.51 N ATOM 371 CA PHE A 121 1.138 4.777 4.320 1.00 22.23 C ATOM 372 C PHE A 121 -0.021 4.814 3.296 1.00 51.31 C ATOM 373 O PHE A 121 -0.748 3.828 3.123 1.00 72.35 O ATOM 374 CB PHE A 121 2.483 4.405 3.648 1.00 40.23 C ATOM 375 CG PHE A 121 3.707 4.596 4.549 1.00 42.34 C ATOM 376 CD1 PHE A 121 4.421 3.505 5.049 1.00 25.14 C ATOM 377 CD2 PHE A 121 4.130 5.880 4.910 1.00 24.43 C ATOM 378 CE1 PHE A 121 5.515 3.692 5.876 1.00 55.44 C ATOM 379 CE2 PHE A 121 5.224 6.064 5.733 1.00 31.04 C ATOM 380 CZ PHE A 121 5.916 4.970 6.218 1.00 61.34 C ATOM 0 H PHE A 121 0.503 2.928 5.090 1.00 63.51 H new ATOM 0 HA PHE A 121 1.249 5.779 4.735 1.00 22.23 H new ATOM 0 HB2 PHE A 121 2.441 3.364 3.327 1.00 40.23 H new ATOM 0 HB3 PHE A 121 2.608 5.011 2.750 1.00 40.23 H new ATOM 0 HD1 PHE A 121 4.116 2.503 4.787 1.00 25.14 H new ATOM 0 HD2 PHE A 121 3.593 6.741 4.539 1.00 24.43 H new ATOM 0 HE1 PHE A 121 6.056 2.838 6.255 1.00 55.44 H new ATOM 0 HE2 PHE A 121 5.539 7.063 5.998 1.00 31.04 H new ATOM 0 HZ PHE A 121 6.770 5.114 6.864 1.00 61.34 H new ATOM 390 N ALA A 122 -0.148 5.965 2.609 1.00 3.21 N ATOM 391 CA ALA A 122 -1.322 6.325 1.787 1.00 55.32 C ATOM 392 C ALA A 122 -1.335 5.615 0.421 1.00 43.45 C ATOM 393 O ALA A 122 -0.304 5.505 -0.239 1.00 21.55 O ATOM 394 CB ALA A 122 -1.341 7.852 1.596 1.00 52.35 C ATOM 0 H ALA A 122 0.575 6.685 2.609 1.00 3.21 H new ATOM 0 HA ALA A 122 -2.217 5.993 2.313 1.00 55.32 H new ATOM 0 HB1 ALA A 122 -2.203 8.132 0.991 1.00 52.35 H new ATOM 0 HB2 ALA A 122 -1.407 8.340 2.569 1.00 52.35 H new ATOM 0 HB3 ALA A 122 -0.427 8.167 1.093 1.00 52.35 H new ATOM 400 N HIS A 123 -2.532 5.173 -0.005 1.00 32.44 N ATOM 401 CA HIS A 123 -2.747 4.499 -1.314 1.00 74.50 C ATOM 402 C HIS A 123 -3.292 5.504 -2.349 1.00 30.50 C ATOM 403 O HIS A 123 -3.982 5.126 -3.308 1.00 52.21 O ATOM 404 CB HIS A 123 -3.733 3.308 -1.115 1.00 74.31 C ATOM 405 CG HIS A 123 -3.215 2.226 -0.205 1.00 25.13 C ATOM 406 ND1 HIS A 123 -3.978 1.197 0.281 1.00 74.43 N ATOM 407 CD2 HIS A 123 -1.964 2.012 0.266 1.00 1.13 C ATOM 408 CE1 HIS A 123 -3.190 0.412 1.013 1.00 12.21 C ATOM 409 NE2 HIS A 123 -1.941 0.864 1.036 1.00 40.12 N ATOM 0 H HIS A 123 -3.385 5.270 0.545 1.00 32.44 H new ATOM 0 HA HIS A 123 -1.800 4.115 -1.693 1.00 74.50 H new ATOM 0 HB2 HIS A 123 -4.670 3.690 -0.711 1.00 74.31 H new ATOM 0 HB3 HIS A 123 -3.960 2.872 -2.088 1.00 74.31 H new ATOM 0 HD2 HIS A 123 -1.111 2.644 0.069 1.00 1.13 H new ATOM 0 HE1 HIS A 123 -3.524 -0.479 1.523 1.00 12.21 H new ATOM 0 HE2 HIS A 123 -1.140 0.454 1.517 1.00 40.12 H new ATOM 417 N GLY A 124 -2.931 6.779 -2.159 1.00 74.14 N ATOM 418 CA GLY A 124 -3.392 7.871 -3.001 1.00 13.23 C ATOM 419 C GLY A 124 -2.950 9.211 -2.443 1.00 54.44 C ATOM 420 O GLY A 124 -2.803 9.358 -1.220 1.00 70.24 O ATOM 0 H GLY A 124 -2.306 7.076 -1.409 1.00 74.14 H new ATOM 0 HA2 GLY A 124 -3.001 7.747 -4.011 1.00 13.23 H new ATOM 0 HA3 GLY A 124 -4.479 7.844 -3.075 1.00 13.23 H new ATOM 424 N VAL A 125 -2.738 10.189 -3.341 1.00 74.14 N ATOM 425 CA VAL A 125 -2.298 11.556 -2.975 1.00 34.33 C ATOM 426 C VAL A 125 -3.366 12.278 -2.111 1.00 25.40 C ATOM 427 O VAL A 125 -3.046 13.164 -1.314 1.00 22.44 O ATOM 428 CB VAL A 125 -1.950 12.390 -4.272 1.00 55.13 C ATOM 429 CG1 VAL A 125 -3.193 12.605 -5.172 1.00 14.34 C ATOM 430 CG2 VAL A 125 -1.255 13.734 -3.932 1.00 65.44 C ATOM 0 H VAL A 125 -2.866 10.058 -4.344 1.00 74.14 H new ATOM 0 HA VAL A 125 -1.394 11.473 -2.372 1.00 34.33 H new ATOM 0 HB VAL A 125 -1.236 11.796 -4.843 1.00 55.13 H new ATOM 0 HG11 VAL A 125 -2.910 13.182 -6.052 1.00 14.34 H new ATOM 0 HG12 VAL A 125 -3.588 11.638 -5.484 1.00 14.34 H new ATOM 0 HG13 VAL A 125 -3.957 13.146 -4.614 1.00 14.34 H new ATOM 0 HG21 VAL A 125 -1.035 14.273 -4.853 1.00 65.44 H new ATOM 0 HG22 VAL A 125 -1.914 14.337 -3.308 1.00 65.44 H new ATOM 0 HG23 VAL A 125 -0.327 13.538 -3.395 1.00 65.44 H new ATOM 440 N HIS A 126 -4.630 11.841 -2.261 1.00 50.31 N ATOM 441 CA HIS A 126 -5.785 12.374 -1.510 1.00 52.15 C ATOM 442 C HIS A 126 -5.701 12.002 -0.014 1.00 74.24 C ATOM 443 O HIS A 126 -6.149 12.763 0.849 1.00 43.51 O ATOM 444 CB HIS A 126 -7.099 11.824 -2.117 1.00 75.41 C ATOM 445 CG HIS A 126 -7.205 12.020 -3.605 1.00 63.22 C ATOM 446 ND1 HIS A 126 -6.714 11.080 -4.476 1.00 75.41 N ATOM 447 CD2 HIS A 126 -7.725 13.050 -4.315 1.00 72.51 C ATOM 448 CE1 HIS A 126 -6.941 11.552 -5.685 1.00 1.22 C ATOM 449 NE2 HIS A 126 -7.550 12.744 -5.639 1.00 15.02 N ATOM 0 H HIS A 126 -4.882 11.099 -2.914 1.00 50.31 H new ATOM 0 HA HIS A 126 -5.771 13.461 -1.588 1.00 52.15 H new ATOM 0 HB2 HIS A 126 -7.175 10.760 -1.893 1.00 75.41 H new ATOM 0 HB3 HIS A 126 -7.945 12.313 -1.634 1.00 75.41 H new ATOM 0 HD2 HIS A 126 -8.188 13.940 -3.915 1.00 72.51 H new ATOM 0 HE1 HIS A 126 -6.670 11.042 -6.598 1.00 1.22 H new ATOM 0 HE2 HIS A 126 -7.830 13.315 -6.437 1.00 15.02 H new ATOM 457 N GLU A 127 -5.115 10.825 0.276 1.00 0.33 N ATOM 458 CA GLU A 127 -5.007 10.295 1.651 1.00 54.10 C ATOM 459 C GLU A 127 -3.791 10.865 2.406 1.00 54.23 C ATOM 460 O GLU A 127 -3.669 10.628 3.611 1.00 11.23 O ATOM 461 CB GLU A 127 -4.920 8.748 1.638 1.00 71.11 C ATOM 462 CG GLU A 127 -6.158 8.029 1.086 1.00 60.50 C ATOM 463 CD GLU A 127 -6.057 6.502 1.240 1.00 52.22 C ATOM 464 OE1 GLU A 127 -5.543 5.832 0.327 1.00 60.01 O ATOM 465 OE2 GLU A 127 -6.460 5.974 2.299 1.00 32.31 O ATOM 0 H GLU A 127 -4.704 10.216 -0.432 1.00 0.33 H new ATOM 0 HA GLU A 127 -5.909 10.610 2.175 1.00 54.10 H new ATOM 0 HB2 GLU A 127 -4.054 8.454 1.045 1.00 71.11 H new ATOM 0 HB3 GLU A 127 -4.742 8.401 2.656 1.00 71.11 H new ATOM 0 HG2 GLU A 127 -7.047 8.387 1.606 1.00 60.50 H new ATOM 0 HG3 GLU A 127 -6.282 8.279 0.032 1.00 60.50 H new ATOM 472 N LEU A 128 -2.896 11.596 1.701 1.00 24.25 N ATOM 473 CA LEU A 128 -1.648 12.113 2.298 1.00 22.11 C ATOM 474 C LEU A 128 -1.928 13.096 3.449 1.00 31.32 C ATOM 475 O LEU A 128 -2.444 14.200 3.236 1.00 31.02 O ATOM 476 CB LEU A 128 -0.745 12.784 1.221 1.00 43.14 C ATOM 477 CG LEU A 128 0.013 11.812 0.264 1.00 54.41 C ATOM 478 CD1 LEU A 128 0.860 12.583 -0.773 1.00 44.02 C ATOM 479 CD2 LEU A 128 0.887 10.828 1.071 1.00 2.50 C ATOM 0 H LEU A 128 -3.018 11.840 0.718 1.00 24.25 H new ATOM 0 HA LEU A 128 -1.116 11.257 2.712 1.00 22.11 H new ATOM 0 HB2 LEU A 128 -1.365 13.447 0.617 1.00 43.14 H new ATOM 0 HB3 LEU A 128 -0.010 13.409 1.729 1.00 43.14 H new ATOM 0 HG LEU A 128 -0.732 11.238 -0.287 1.00 54.41 H new ATOM 0 HD11 LEU A 128 1.374 11.874 -1.422 1.00 44.02 H new ATOM 0 HD12 LEU A 128 0.210 13.219 -1.373 1.00 44.02 H new ATOM 0 HD13 LEU A 128 1.595 13.200 -0.256 1.00 44.02 H new ATOM 0 HD21 LEU A 128 1.408 10.158 0.387 1.00 2.50 H new ATOM 0 HD22 LEU A 128 1.617 11.386 1.658 1.00 2.50 H new ATOM 0 HD23 LEU A 128 0.255 10.244 1.739 1.00 2.50 H new ATOM 491 N ARG A 129 -1.587 12.656 4.668 1.00 73.40 N ATOM 492 CA ARG A 129 -1.633 13.474 5.882 1.00 21.40 C ATOM 493 C ARG A 129 -0.183 13.829 6.227 1.00 14.22 C ATOM 494 O ARG A 129 0.450 13.147 7.038 1.00 62.41 O ATOM 495 CB ARG A 129 -2.318 12.697 7.056 1.00 43.51 C ATOM 496 CG ARG A 129 -3.595 11.914 6.674 1.00 41.12 C ATOM 497 CD ARG A 129 -4.714 12.798 6.101 1.00 72.34 C ATOM 498 NE ARG A 129 -5.264 13.740 7.091 1.00 64.02 N ATOM 499 CZ ARG A 129 -6.351 14.506 6.900 1.00 35.51 C ATOM 500 NH1 ARG A 129 -7.026 14.466 5.754 1.00 24.13 N ATOM 501 NH2 ARG A 129 -6.764 15.308 7.864 1.00 23.41 N ATOM 0 H ARG A 129 -1.266 11.703 4.838 1.00 73.40 H new ATOM 0 HA ARG A 129 -2.225 14.375 5.722 1.00 21.40 H new ATOM 0 HB2 ARG A 129 -1.596 11.998 7.477 1.00 43.51 H new ATOM 0 HB3 ARG A 129 -2.570 13.408 7.843 1.00 43.51 H new ATOM 0 HG2 ARG A 129 -3.336 11.150 5.941 1.00 41.12 H new ATOM 0 HG3 ARG A 129 -3.970 11.395 7.556 1.00 41.12 H new ATOM 0 HD2 ARG A 129 -4.328 13.358 5.250 1.00 72.34 H new ATOM 0 HD3 ARG A 129 -5.517 12.162 5.727 1.00 72.34 H new ATOM 0 HE ARG A 129 -4.784 13.816 7.988 1.00 64.02 H new ATOM 0 HH11 ARG A 129 -6.720 13.847 5.003 1.00 24.13 H new ATOM 0 HH12 ARG A 129 -7.849 15.055 5.626 1.00 24.13 H new ATOM 0 HH21 ARG A 129 -6.258 15.344 8.749 1.00 23.41 H new ATOM 0 HH22 ARG A 129 -7.589 15.892 7.724 1.00 23.41 H new ATOM 772 N VAL A 145 11.720 14.358 29.229 1.00 41.42 N ATOM 773 CA VAL A 145 12.175 12.984 28.935 1.00 60.41 C ATOM 774 C VAL A 145 11.670 12.054 30.045 1.00 21.43 C ATOM 775 O VAL A 145 11.463 12.512 31.167 1.00 53.24 O ATOM 776 CB VAL A 145 13.754 12.931 28.863 1.00 50.44 C ATOM 777 CG1 VAL A 145 14.272 11.539 28.424 1.00 72.41 C ATOM 778 CG2 VAL A 145 14.310 14.039 27.939 1.00 72.54 C ATOM 0 HA VAL A 145 11.778 12.665 27.971 1.00 60.41 H new ATOM 0 HB VAL A 145 14.122 13.111 29.873 1.00 50.44 H new ATOM 0 HG11 VAL A 145 15.361 11.551 28.389 1.00 72.41 H new ATOM 0 HG12 VAL A 145 13.940 10.785 29.138 1.00 72.41 H new ATOM 0 HG13 VAL A 145 13.880 11.300 27.436 1.00 72.41 H new ATOM 0 HG21 VAL A 145 15.398 13.977 27.910 1.00 72.54 H new ATOM 0 HG22 VAL A 145 13.912 13.907 26.933 1.00 72.54 H new ATOM 0 HG23 VAL A 145 14.013 15.015 28.322 1.00 72.54 H new ATOM 788 N LEU A 146 11.475 10.757 29.731 1.00 71.13 N ATOM 789 CA LEU A 146 11.048 9.746 30.722 1.00 31.22 C ATOM 790 C LEU A 146 12.108 9.606 31.840 1.00 4.01 C ATOM 791 O LEU A 146 13.315 9.620 31.562 1.00 21.10 O ATOM 792 CB LEU A 146 10.803 8.369 30.044 1.00 33.30 C ATOM 793 CG LEU A 146 9.816 8.346 28.831 1.00 64.01 C ATOM 794 CD1 LEU A 146 9.599 6.908 28.311 1.00 62.33 C ATOM 795 CD2 LEU A 146 8.474 9.027 29.174 1.00 44.22 C ATOM 0 H LEU A 146 11.608 10.382 28.792 1.00 71.13 H new ATOM 0 HA LEU A 146 10.110 10.082 31.163 1.00 31.22 H new ATOM 0 HB2 LEU A 146 11.764 7.980 29.707 1.00 33.30 H new ATOM 0 HB3 LEU A 146 10.428 7.680 30.800 1.00 33.30 H new ATOM 0 HG LEU A 146 10.276 8.923 28.029 1.00 64.01 H new ATOM 0 HD11 LEU A 146 8.908 6.926 27.468 1.00 62.33 H new ATOM 0 HD12 LEU A 146 10.553 6.490 27.989 1.00 62.33 H new ATOM 0 HD13 LEU A 146 9.183 6.292 29.108 1.00 62.33 H new ATOM 0 HD21 LEU A 146 7.815 8.991 28.306 1.00 44.22 H new ATOM 0 HD22 LEU A 146 8.004 8.506 30.008 1.00 44.22 H new ATOM 0 HD23 LEU A 146 8.653 10.066 29.450 1.00 44.22 H new ATOM 807 N CYS A 147 11.643 9.465 33.093 1.00 32.32 N ATOM 808 CA CYS A 147 12.514 9.434 34.280 1.00 71.13 C ATOM 809 C CYS A 147 13.266 8.090 34.321 1.00 30.12 C ATOM 810 O CYS A 147 12.650 7.037 34.534 1.00 25.24 O ATOM 811 CB CYS A 147 11.626 9.647 35.534 1.00 60.53 C ATOM 812 SG CYS A 147 12.492 10.057 37.091 1.00 65.33 S ATOM 0 H CYS A 147 10.651 9.369 33.311 1.00 32.32 H new ATOM 0 HA CYS A 147 13.263 10.225 34.248 1.00 71.13 H new ATOM 0 HB2 CYS A 147 10.917 10.447 35.318 1.00 60.53 H new ATOM 0 HB3 CYS A 147 11.044 8.740 35.697 1.00 60.53 H new ATOM 0 HG CYS A 147 12.293 11.308 37.382 1.00 65.33 H new ATOM 817 N ASP A 148 14.595 8.145 34.108 1.00 52.20 N ATOM 818 CA ASP A 148 15.437 6.939 33.952 1.00 52.34 C ATOM 819 C ASP A 148 15.631 6.216 35.292 1.00 21.40 C ATOM 820 O ASP A 148 15.584 4.990 35.347 1.00 12.21 O ATOM 821 CB ASP A 148 16.809 7.283 33.299 1.00 4.11 C ATOM 822 CG ASP A 148 17.628 8.335 34.073 1.00 63.05 C ATOM 823 OD1 ASP A 148 17.323 9.542 33.943 1.00 45.35 O ATOM 824 OD2 ASP A 148 18.568 7.967 34.818 1.00 15.23 O ATOM 0 H ASP A 148 15.114 9.020 34.039 1.00 52.20 H new ATOM 0 HA ASP A 148 14.911 6.260 33.280 1.00 52.34 H new ATOM 0 HB2 ASP A 148 17.398 6.370 33.214 1.00 4.11 H new ATOM 0 HB3 ASP A 148 16.636 7.646 32.286 1.00 4.11 H new ATOM 829 N LYS A 149 15.828 6.991 36.370 1.00 72.42 N ATOM 830 CA LYS A 149 15.970 6.449 37.736 1.00 24.41 C ATOM 831 C LYS A 149 14.684 5.731 38.175 1.00 1.32 C ATOM 832 O LYS A 149 14.731 4.633 38.738 1.00 23.52 O ATOM 833 CB LYS A 149 16.319 7.590 38.728 1.00 4.02 C ATOM 834 CG LYS A 149 17.694 8.259 38.482 1.00 4.30 C ATOM 835 CD LYS A 149 18.890 7.304 38.704 1.00 42.30 C ATOM 836 CE LYS A 149 18.985 6.771 40.147 1.00 61.04 C ATOM 837 NZ LYS A 149 20.199 5.943 40.364 1.00 63.41 N ATOM 0 H LYS A 149 15.894 8.008 36.323 1.00 72.42 H new ATOM 0 HA LYS A 149 16.781 5.721 37.736 1.00 24.41 H new ATOM 0 HB2 LYS A 149 15.543 8.353 38.671 1.00 4.02 H new ATOM 0 HB3 LYS A 149 16.300 7.191 39.742 1.00 4.02 H new ATOM 0 HG2 LYS A 149 17.727 8.640 37.461 1.00 4.30 H new ATOM 0 HG3 LYS A 149 17.796 9.118 39.146 1.00 4.30 H new ATOM 0 HD2 LYS A 149 18.805 6.461 38.018 1.00 42.30 H new ATOM 0 HD3 LYS A 149 19.814 7.826 38.455 1.00 42.30 H new ATOM 0 HE2 LYS A 149 18.992 7.610 40.842 1.00 61.04 H new ATOM 0 HE3 LYS A 149 18.099 6.178 40.372 1.00 61.04 H new ATOM 0 HZ1 LYS A 149 20.219 5.607 41.348 1.00 63.41 H new ATOM 0 HZ2 LYS A 149 20.182 5.127 39.720 1.00 63.41 H new ATOM 0 HZ3 LYS A 149 21.047 6.515 40.176 1.00 63.41 H new ATOM 851 N PHE A 150 13.540 6.353 37.855 1.00 63.24 N ATOM 852 CA PHE A 150 12.209 5.859 38.247 1.00 13.20 C ATOM 853 C PHE A 150 11.838 4.568 37.482 1.00 53.03 C ATOM 854 O PHE A 150 11.040 3.766 37.968 1.00 41.13 O ATOM 855 CB PHE A 150 11.159 6.973 38.007 1.00 71.03 C ATOM 856 CG PHE A 150 9.762 6.682 38.555 1.00 1.25 C ATOM 857 CD1 PHE A 150 9.495 6.794 39.922 1.00 3.41 C ATOM 858 CD2 PHE A 150 8.714 6.309 37.709 1.00 63.24 C ATOM 859 CE1 PHE A 150 8.233 6.541 40.421 1.00 63.53 C ATOM 860 CE2 PHE A 150 7.454 6.056 38.211 1.00 71.20 C ATOM 861 CZ PHE A 150 7.213 6.173 39.567 1.00 31.41 C ATOM 0 H PHE A 150 13.510 7.217 37.314 1.00 63.24 H new ATOM 0 HA PHE A 150 12.225 5.605 39.307 1.00 13.20 H new ATOM 0 HB2 PHE A 150 11.523 7.896 38.458 1.00 71.03 H new ATOM 0 HB3 PHE A 150 11.081 7.151 36.934 1.00 71.03 H new ATOM 0 HD1 PHE A 150 10.287 7.082 40.597 1.00 3.41 H new ATOM 0 HD2 PHE A 150 8.893 6.218 36.648 1.00 63.24 H new ATOM 0 HE1 PHE A 150 8.044 6.631 41.480 1.00 63.53 H new ATOM 0 HE2 PHE A 150 6.655 5.766 37.544 1.00 71.20 H new ATOM 0 HZ PHE A 150 6.226 5.976 39.959 1.00 31.41 H new ATOM 871 N SER A 151 12.410 4.378 36.279 1.00 10.11 N ATOM 872 CA SER A 151 12.171 3.170 35.462 1.00 3.40 C ATOM 873 C SER A 151 13.150 2.030 35.832 1.00 45.04 C ATOM 874 O SER A 151 12.771 0.855 35.811 1.00 21.44 O ATOM 875 CB SER A 151 12.273 3.526 33.966 1.00 21.12 C ATOM 876 OG SER A 151 13.519 4.120 33.657 1.00 33.10 O ATOM 0 H SER A 151 13.045 5.049 35.847 1.00 10.11 H new ATOM 0 HA SER A 151 11.165 2.806 35.671 1.00 3.40 H new ATOM 0 HB2 SER A 151 12.140 2.625 33.367 1.00 21.12 H new ATOM 0 HB3 SER A 151 11.467 4.209 33.698 1.00 21.12 H new ATOM 0 HG SER A 151 14.060 4.188 34.471 1.00 33.10 H new ATOM 882 N MET A 152 14.407 2.387 36.176 1.00 24.32 N ATOM 883 CA MET A 152 15.475 1.396 36.472 1.00 32.21 C ATOM 884 C MET A 152 15.305 0.780 37.873 1.00 42.10 C ATOM 885 O MET A 152 15.459 -0.433 38.044 1.00 73.31 O ATOM 886 CB MET A 152 16.895 2.030 36.339 1.00 35.01 C ATOM 887 CG MET A 152 17.317 2.381 34.902 1.00 42.43 C ATOM 888 SD MET A 152 19.017 3.004 34.792 1.00 31.01 S ATOM 889 CE MET A 152 18.931 4.527 35.735 1.00 44.11 C ATOM 0 H MET A 152 14.711 3.357 36.257 1.00 24.32 H new ATOM 0 HA MET A 152 15.379 0.601 35.733 1.00 32.21 H new ATOM 0 HB2 MET A 152 16.930 2.936 36.944 1.00 35.01 H new ATOM 0 HB3 MET A 152 17.626 1.339 36.758 1.00 35.01 H new ATOM 0 HG2 MET A 152 17.220 1.495 34.274 1.00 42.43 H new ATOM 0 HG3 MET A 152 16.635 3.131 34.502 1.00 42.43 H new ATOM 0 HE1 MET A 152 19.901 5.023 35.714 1.00 44.11 H new ATOM 0 HE2 MET A 152 18.178 5.183 35.298 1.00 44.11 H new ATOM 0 HE3 MET A 152 18.661 4.301 36.767 1.00 44.11 H new ATOM 899 N THR A 153 15.002 1.626 38.870 1.00 33.50 N ATOM 900 CA THR A 153 14.908 1.202 40.288 1.00 13.32 C ATOM 901 C THR A 153 13.442 1.107 40.746 1.00 35.24 C ATOM 902 O THR A 153 13.105 0.300 41.622 1.00 11.43 O ATOM 903 CB THR A 153 15.674 2.202 41.222 1.00 14.52 C ATOM 904 OG1 THR A 153 15.019 3.482 41.225 1.00 10.41 O ATOM 905 CG2 THR A 153 17.142 2.382 40.785 1.00 12.43 C ATOM 0 H THR A 153 14.815 2.618 38.724 1.00 33.50 H new ATOM 0 HA THR A 153 15.367 0.216 40.360 1.00 13.32 H new ATOM 0 HB THR A 153 15.665 1.779 42.227 1.00 14.52 H new ATOM 0 HG1 THR A 153 14.958 3.821 40.307 1.00 10.41 H new ATOM 0 HG21 THR A 153 17.638 3.082 41.457 1.00 12.43 H new ATOM 0 HG22 THR A 153 17.653 1.420 40.821 1.00 12.43 H new ATOM 0 HG23 THR A 153 17.174 2.771 39.767 1.00 12.43 H new ATOM 913 N GLY A 154 12.579 1.937 40.130 1.00 53.45 N ATOM 914 CA GLY A 154 11.189 2.099 40.568 1.00 40.15 C ATOM 915 C GLY A 154 11.019 3.290 41.509 1.00 35.01 C ATOM 916 O GLY A 154 9.920 3.521 42.026 1.00 12.23 O ATOM 0 H GLY A 154 12.828 2.508 39.322 1.00 53.45 H new ATOM 0 HA2 GLY A 154 10.548 2.231 39.697 1.00 40.15 H new ATOM 0 HA3 GLY A 154 10.859 1.190 41.071 1.00 40.15 H new ATOM 920 N ASN A 155 12.116 4.053 41.725 1.00 20.22 N ATOM 921 CA ASN A 155 12.173 5.161 42.705 1.00 55.51 C ATOM 922 C ASN A 155 12.891 6.376 42.089 1.00 62.40 C ATOM 923 O ASN A 155 13.890 6.217 41.374 1.00 34.34 O ATOM 924 CB ASN A 155 12.925 4.710 43.993 1.00 74.41 C ATOM 925 CG ASN A 155 12.276 3.511 44.691 1.00 10.44 C ATOM 926 OD1 ASN A 155 11.398 3.666 45.537 1.00 4.54 O ATOM 927 ND2 ASN A 155 12.697 2.306 44.329 1.00 52.33 N ATOM 0 H ASN A 155 12.992 3.915 41.220 1.00 20.22 H new ATOM 0 HA ASN A 155 11.153 5.440 42.969 1.00 55.51 H new ATOM 0 HB2 ASN A 155 13.953 4.457 43.734 1.00 74.41 H new ATOM 0 HB3 ASN A 155 12.969 5.547 44.690 1.00 74.41 H new ATOM 0 HD21 ASN A 155 12.290 1.474 44.756 1.00 52.33 H new ATOM 0 HD22 ASN A 155 13.428 2.212 43.624 1.00 52.33 H new ATOM 934 N CYS A 156 12.369 7.580 42.369 1.00 53.33 N ATOM 935 CA CYS A 156 12.954 8.857 41.926 1.00 21.54 C ATOM 936 C CYS A 156 13.250 9.728 43.162 1.00 43.23 C ATOM 937 O CYS A 156 12.343 9.996 43.958 1.00 74.21 O ATOM 938 CB CYS A 156 11.973 9.569 40.974 1.00 1.43 C ATOM 939 SG CYS A 156 12.553 11.154 40.284 1.00 34.34 S ATOM 0 H CYS A 156 11.517 7.697 42.917 1.00 53.33 H new ATOM 0 HA CYS A 156 13.886 8.680 41.389 1.00 21.54 H new ATOM 0 HB2 CYS A 156 11.744 8.896 40.148 1.00 1.43 H new ATOM 0 HB3 CYS A 156 11.040 9.746 41.509 1.00 1.43 H new ATOM 0 HG CYS A 156 12.926 10.980 39.051 1.00 34.34 H new ATOM 944 N LYS A 157 14.512 10.181 43.299 1.00 31.11 N ATOM 945 CA LYS A 157 14.993 10.909 44.500 1.00 63.01 C ATOM 946 C LYS A 157 14.335 12.295 44.649 1.00 72.25 C ATOM 947 O LYS A 157 14.262 12.841 45.756 1.00 23.25 O ATOM 948 CB LYS A 157 16.539 11.051 44.472 1.00 14.23 C ATOM 949 CG LYS A 157 17.096 11.882 43.293 1.00 70.30 C ATOM 950 CD LYS A 157 18.635 12.075 43.327 1.00 73.41 C ATOM 951 CE LYS A 157 19.129 13.059 44.416 1.00 71.24 C ATOM 952 NZ LYS A 157 18.967 12.548 45.806 1.00 52.01 N ATOM 0 H LYS A 157 15.229 10.055 42.584 1.00 31.11 H new ATOM 0 HA LYS A 157 14.703 10.315 45.367 1.00 63.01 H new ATOM 0 HB2 LYS A 157 16.864 11.510 45.406 1.00 14.23 H new ATOM 0 HB3 LYS A 157 16.980 10.055 44.436 1.00 14.23 H new ATOM 0 HG2 LYS A 157 16.822 11.395 42.357 1.00 70.30 H new ATOM 0 HG3 LYS A 157 16.617 12.861 43.294 1.00 70.30 H new ATOM 0 HD2 LYS A 157 19.108 11.106 43.488 1.00 73.41 H new ATOM 0 HD3 LYS A 157 18.966 12.433 42.352 1.00 73.41 H new ATOM 0 HE2 LYS A 157 20.182 13.281 44.241 1.00 71.24 H new ATOM 0 HE3 LYS A 157 18.584 13.998 44.318 1.00 71.24 H new ATOM 0 HZ1 LYS A 157 19.816 12.777 46.361 1.00 52.01 H new ATOM 0 HZ2 LYS A 157 18.136 12.993 46.245 1.00 52.01 H new ATOM 0 HZ3 LYS A 157 18.836 11.517 45.784 1.00 52.01 H new ATOM 966 N TYR A 158 13.881 12.860 43.520 1.00 74.40 N ATOM 967 CA TYR A 158 13.176 14.153 43.493 1.00 1.45 C ATOM 968 C TYR A 158 11.698 13.976 43.880 1.00 71.11 C ATOM 969 O TYR A 158 11.099 14.882 44.466 1.00 50.31 O ATOM 970 CB TYR A 158 13.297 14.791 42.093 1.00 22.40 C ATOM 971 CG TYR A 158 14.744 15.049 41.649 1.00 12.40 C ATOM 972 CD1 TYR A 158 15.388 14.215 40.727 1.00 3.31 C ATOM 973 CD2 TYR A 158 15.469 16.124 42.164 1.00 21.42 C ATOM 974 CE1 TYR A 158 16.691 14.453 40.337 1.00 72.13 C ATOM 975 CE2 TYR A 158 16.771 16.361 41.775 1.00 3.45 C ATOM 976 CZ TYR A 158 17.377 15.525 40.864 1.00 72.34 C ATOM 977 OH TYR A 158 18.674 15.766 40.474 1.00 60.53 O ATOM 0 H TYR A 158 13.992 12.434 42.600 1.00 74.40 H new ATOM 0 HA TYR A 158 13.639 14.817 44.223 1.00 1.45 H new ATOM 0 HB2 TYR A 158 12.815 14.139 41.365 1.00 22.40 H new ATOM 0 HB3 TYR A 158 12.752 15.735 42.086 1.00 22.40 H new ATOM 0 HD1 TYR A 158 14.856 13.371 40.314 1.00 3.31 H new ATOM 0 HD2 TYR A 158 15.002 16.783 42.881 1.00 21.42 H new ATOM 0 HE1 TYR A 158 17.170 13.801 39.622 1.00 72.13 H new ATOM 0 HE2 TYR A 158 17.314 17.200 42.184 1.00 3.45 H new ATOM 0 HH TYR A 158 19.013 16.560 40.938 1.00 60.53 H new ATOM 987 N GLY A 159 11.131 12.797 43.548 1.00 11.54 N ATOM 988 CA GLY A 159 9.731 12.479 43.847 1.00 1.41 C ATOM 989 C GLY A 159 8.759 13.391 43.104 1.00 53.23 C ATOM 990 O GLY A 159 8.706 13.360 41.873 1.00 2.24 O ATOM 0 H GLY A 159 11.632 12.048 43.069 1.00 11.54 H new ATOM 0 HA2 GLY A 159 9.531 11.442 43.578 1.00 1.41 H new ATOM 0 HA3 GLY A 159 9.562 12.568 44.920 1.00 1.41 H new ATOM 994 N THR A 160 8.033 14.240 43.852 1.00 24.12 N ATOM 995 CA THR A 160 7.061 15.197 43.283 1.00 41.23 C ATOM 996 C THR A 160 7.774 16.411 42.645 1.00 21.31 C ATOM 997 O THR A 160 7.174 17.152 41.862 1.00 1.30 O ATOM 998 CB THR A 160 6.055 15.680 44.378 1.00 50.42 C ATOM 999 OG1 THR A 160 6.777 16.205 45.505 1.00 72.04 O ATOM 1000 CG2 THR A 160 5.128 14.545 44.852 1.00 32.03 C ATOM 0 H THR A 160 8.102 14.284 44.869 1.00 24.12 H new ATOM 0 HA THR A 160 6.508 14.677 42.501 1.00 41.23 H new ATOM 0 HB THR A 160 5.434 16.457 43.931 1.00 50.42 H new ATOM 0 HG1 THR A 160 6.143 16.508 46.188 1.00 72.04 H new ATOM 0 HG21 THR A 160 4.446 14.926 45.612 1.00 32.03 H new ATOM 0 HG22 THR A 160 4.554 14.167 44.006 1.00 32.03 H new ATOM 0 HG23 THR A 160 5.727 13.738 45.273 1.00 32.03 H new ATOM 1008 N ARG A 161 9.062 16.593 42.985 1.00 50.43 N ATOM 1009 CA ARG A 161 9.909 17.692 42.474 1.00 31.11 C ATOM 1010 C ARG A 161 10.651 17.274 41.181 1.00 64.41 C ATOM 1011 O ARG A 161 11.588 17.955 40.755 1.00 43.33 O ATOM 1012 CB ARG A 161 10.940 18.089 43.569 1.00 24.02 C ATOM 1013 CG ARG A 161 10.322 18.473 44.935 1.00 13.34 C ATOM 1014 CD ARG A 161 11.395 18.757 46.001 1.00 31.11 C ATOM 1015 NE ARG A 161 10.813 19.089 47.313 1.00 44.00 N ATOM 1016 CZ ARG A 161 11.512 19.242 48.453 1.00 4.24 C ATOM 1017 NH1 ARG A 161 12.837 19.098 48.476 1.00 40.45 N ATOM 1018 NH2 ARG A 161 10.878 19.537 49.575 1.00 41.32 N ATOM 0 H ARG A 161 9.553 15.974 43.631 1.00 50.43 H new ATOM 0 HA ARG A 161 9.271 18.542 42.234 1.00 31.11 H new ATOM 0 HB2 ARG A 161 11.628 17.257 43.719 1.00 24.02 H new ATOM 0 HB3 ARG A 161 11.530 18.929 43.204 1.00 24.02 H new ATOM 0 HG2 ARG A 161 9.693 19.354 44.812 1.00 13.34 H new ATOM 0 HG3 ARG A 161 9.676 17.666 45.279 1.00 13.34 H new ATOM 0 HD2 ARG A 161 12.040 17.885 46.104 1.00 31.11 H new ATOM 0 HD3 ARG A 161 12.025 19.582 45.667 1.00 31.11 H new ATOM 0 HE ARG A 161 9.802 19.213 47.361 1.00 44.00 H new ATOM 0 HH11 ARG A 161 13.340 18.868 47.619 1.00 40.45 H new ATOM 0 HH12 ARG A 161 13.348 19.218 49.351 1.00 40.45 H new ATOM 0 HH21 ARG A 161 9.864 19.648 49.574 1.00 41.32 H new ATOM 0 HH22 ARG A 161 11.403 19.654 50.442 1.00 41.32 H new ATOM 1032 N CYS A 162 10.244 16.137 40.579 1.00 31.21 N ATOM 1033 CA CYS A 162 10.894 15.581 39.378 1.00 42.42 C ATOM 1034 C CYS A 162 10.334 16.219 38.095 1.00 73.54 C ATOM 1035 O CYS A 162 9.112 16.236 37.884 1.00 50.54 O ATOM 1036 CB CYS A 162 10.706 14.050 39.346 1.00 1.44 C ATOM 1037 SG CYS A 162 11.510 13.199 37.946 1.00 50.44 S ATOM 0 H CYS A 162 9.457 15.581 40.913 1.00 31.21 H new ATOM 0 HA CYS A 162 11.958 15.811 39.424 1.00 42.42 H new ATOM 0 HB2 CYS A 162 11.094 13.633 40.275 1.00 1.44 H new ATOM 0 HB3 CYS A 162 9.639 13.831 39.319 1.00 1.44 H new ATOM 0 HG CYS A 162 10.669 13.096 36.960 1.00 50.44 H new ATOM 1042 N GLN A 163 11.245 16.741 37.253 1.00 34.35 N ATOM 1043 CA GLN A 163 10.906 17.321 35.939 1.00 3.45 C ATOM 1044 C GLN A 163 10.663 16.208 34.904 1.00 33.54 C ATOM 1045 O GLN A 163 9.893 16.383 33.963 1.00 32.03 O ATOM 1046 CB GLN A 163 12.039 18.277 35.456 1.00 40.12 C ATOM 1047 CG GLN A 163 13.389 17.585 35.149 1.00 40.45 C ATOM 1048 CD GLN A 163 14.509 18.544 34.734 1.00 4.44 C ATOM 1049 OE1 GLN A 163 14.264 19.607 34.177 1.00 63.54 O ATOM 1050 NE2 GLN A 163 15.750 18.155 34.970 1.00 13.23 N ATOM 0 H GLN A 163 12.242 16.773 37.466 1.00 34.35 H new ATOM 0 HA GLN A 163 9.988 17.899 36.045 1.00 3.45 H new ATOM 0 HB2 GLN A 163 11.700 18.794 34.558 1.00 40.12 H new ATOM 0 HB3 GLN A 163 12.203 19.038 36.219 1.00 40.12 H new ATOM 0 HG2 GLN A 163 13.709 17.031 36.032 1.00 40.45 H new ATOM 0 HG3 GLN A 163 13.237 16.856 34.353 1.00 40.45 H new ATOM 0 HE21 GLN A 163 15.926 17.265 35.436 1.00 13.23 H new ATOM 0 HE22 GLN A 163 16.532 18.745 34.686 1.00 13.23 H new ATOM 1059 N PHE A 164 11.334 15.058 35.097 1.00 3.21 N ATOM 1060 CA PHE A 164 11.276 13.929 34.158 1.00 50.23 C ATOM 1061 C PHE A 164 9.989 13.106 34.361 1.00 24.42 C ATOM 1062 O PHE A 164 9.538 12.905 35.495 1.00 60.23 O ATOM 1063 CB PHE A 164 12.539 13.048 34.299 1.00 42.34 C ATOM 1064 CG PHE A 164 13.843 13.764 33.948 1.00 61.22 C ATOM 1065 CD1 PHE A 164 14.886 13.871 34.872 1.00 52.20 C ATOM 1066 CD2 PHE A 164 14.018 14.341 32.687 1.00 2.15 C ATOM 1067 CE1 PHE A 164 16.057 14.529 34.548 1.00 75.34 C ATOM 1068 CE2 PHE A 164 15.189 14.996 32.365 1.00 22.45 C ATOM 1069 CZ PHE A 164 16.209 15.091 33.294 1.00 34.11 C ATOM 0 H PHE A 164 11.930 14.888 35.907 1.00 3.21 H new ATOM 0 HA PHE A 164 11.251 14.324 33.143 1.00 50.23 H new ATOM 0 HB2 PHE A 164 12.602 12.684 35.324 1.00 42.34 H new ATOM 0 HB3 PHE A 164 12.433 12.174 33.656 1.00 42.34 H new ATOM 0 HD1 PHE A 164 14.775 13.433 35.853 1.00 52.20 H new ATOM 0 HD2 PHE A 164 13.227 14.273 31.955 1.00 2.15 H new ATOM 0 HE1 PHE A 164 16.853 14.604 35.274 1.00 75.34 H new ATOM 0 HE2 PHE A 164 15.309 15.435 31.386 1.00 22.45 H new ATOM 0 HZ PHE A 164 17.125 15.604 33.040 1.00 34.11 H new ATOM 1079 N ILE A 165 9.444 12.615 33.240 1.00 33.05 N ATOM 1080 CA ILE A 165 8.109 12.003 33.158 1.00 31.22 C ATOM 1081 C ILE A 165 8.071 10.634 33.872 1.00 53.23 C ATOM 1082 O ILE A 165 8.676 9.665 33.399 1.00 20.31 O ATOM 1083 CB ILE A 165 7.675 11.827 31.648 1.00 62.31 C ATOM 1084 CG1 ILE A 165 7.939 13.140 30.840 1.00 54.40 C ATOM 1085 CG2 ILE A 165 6.188 11.401 31.545 1.00 74.14 C ATOM 1086 CD1 ILE A 165 7.623 13.074 29.352 1.00 22.25 C ATOM 0 H ILE A 165 9.930 12.632 32.343 1.00 33.05 H new ATOM 0 HA ILE A 165 7.410 12.671 33.660 1.00 31.22 H new ATOM 0 HB ILE A 165 8.281 11.033 31.211 1.00 62.31 H new ATOM 0 HG12 ILE A 165 7.349 13.942 31.283 1.00 54.40 H new ATOM 0 HG13 ILE A 165 8.988 13.413 30.958 1.00 54.40 H new ATOM 0 HG21 ILE A 165 5.914 11.287 30.496 1.00 74.14 H new ATOM 0 HG22 ILE A 165 6.044 10.453 32.063 1.00 74.14 H new ATOM 0 HG23 ILE A 165 5.558 12.164 32.003 1.00 74.14 H new ATOM 0 HD11 ILE A 165 7.842 14.037 28.890 1.00 22.25 H new ATOM 0 HD12 ILE A 165 8.232 12.300 28.885 1.00 22.25 H new ATOM 0 HD13 ILE A 165 6.568 12.838 29.214 1.00 22.25 H new ATOM 1098 N HIS A 166 7.379 10.584 35.024 1.00 51.01 N ATOM 1099 CA HIS A 166 7.166 9.337 35.780 1.00 35.44 C ATOM 1100 C HIS A 166 6.138 8.440 35.074 1.00 3.24 C ATOM 1101 O HIS A 166 4.942 8.751 35.036 1.00 3.23 O ATOM 1102 CB HIS A 166 6.726 9.633 37.242 1.00 34.55 C ATOM 1103 CG HIS A 166 7.814 10.207 38.109 1.00 74.12 C ATOM 1104 ND1 HIS A 166 7.661 10.484 39.444 1.00 3.52 N ATOM 1105 CD2 HIS A 166 9.109 10.487 37.820 1.00 70.34 C ATOM 1106 CE1 HIS A 166 8.834 10.900 39.917 1.00 24.41 C ATOM 1107 NE2 HIS A 166 9.758 10.918 38.965 1.00 13.22 N ATOM 0 H HIS A 166 6.953 11.404 35.456 1.00 51.01 H new ATOM 0 HA HIS A 166 8.116 8.804 35.818 1.00 35.44 H new ATOM 0 HB2 HIS A 166 5.887 10.328 37.223 1.00 34.55 H new ATOM 0 HB3 HIS A 166 6.365 8.710 37.695 1.00 34.55 H new ATOM 0 HD2 HIS A 166 9.565 10.389 36.846 1.00 70.34 H new ATOM 0 HE1 HIS A 166 9.011 11.186 40.943 1.00 24.41 H new ATOM 0 HE2 HIS A 166 10.737 11.191 39.057 1.00 13.22 H new ATOM 1115 N LYS A 167 6.641 7.349 34.482 1.00 61.14 N ATOM 1116 CA LYS A 167 5.822 6.308 33.851 1.00 1.11 C ATOM 1117 C LYS A 167 6.052 4.984 34.587 1.00 35.31 C ATOM 1118 O LYS A 167 7.114 4.364 34.438 1.00 54.14 O ATOM 1119 CB LYS A 167 6.177 6.173 32.338 1.00 3.52 C ATOM 1120 CG LYS A 167 5.901 7.445 31.504 1.00 13.14 C ATOM 1121 CD LYS A 167 4.405 7.859 31.495 1.00 14.31 C ATOM 1122 CE LYS A 167 3.495 6.815 30.824 1.00 35.51 C ATOM 1123 NZ LYS A 167 2.061 7.195 30.898 1.00 0.35 N ATOM 0 H LYS A 167 7.642 7.163 34.428 1.00 61.14 H new ATOM 0 HA LYS A 167 4.768 6.579 33.918 1.00 1.11 H new ATOM 0 HB2 LYS A 167 7.232 5.914 32.246 1.00 3.52 H new ATOM 0 HB3 LYS A 167 5.608 5.345 31.916 1.00 3.52 H new ATOM 0 HG2 LYS A 167 6.496 8.268 31.900 1.00 13.14 H new ATOM 0 HG3 LYS A 167 6.231 7.278 30.479 1.00 13.14 H new ATOM 0 HD2 LYS A 167 4.072 8.018 32.521 1.00 14.31 H new ATOM 0 HD3 LYS A 167 4.301 8.811 30.975 1.00 14.31 H new ATOM 0 HE2 LYS A 167 3.786 6.699 29.780 1.00 35.51 H new ATOM 0 HE3 LYS A 167 3.639 5.847 31.304 1.00 35.51 H new ATOM 0 HZ1 LYS A 167 1.484 6.465 30.434 1.00 0.35 H new ATOM 0 HZ2 LYS A 167 1.776 7.281 31.894 1.00 0.35 H new ATOM 0 HZ3 LYS A 167 1.918 8.106 30.417 1.00 0.35 H new