USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 403 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 Single : A 4 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0469) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.011) USER MOD Single : A 11 TYR OH : rot 56:sc= 1.23 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0.095) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 21 GLN : amide:sc=-0.000972 K(o=-0.00097,f=-0.75) USER MOD Single : A 23 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00315) USER MOD Single : A 31 HIS : no HD1:sc= -0.12 K(o=-0.12,f=-1.2) USER MOD Single : A 34 SER OG : rot -52:sc= 0.313 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.62) USER MOD Single : A 46 GLN : amide:sc= -0.793 K(o=-0.79,f=-1.8) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -17.406 3.775 2.257 1.00 51.23 N ATOM 2 CA ASP A 2 -16.796 5.099 2.236 1.00 71.00 C ATOM 3 C ASP A 2 -15.477 5.102 3.002 1.00 61.13 C ATOM 4 O ASP A 2 -15.454 5.278 4.220 1.00 12.13 O ATOM 5 CB ASP A 2 -17.750 6.133 2.835 1.00 1.02 C ATOM 6 CG ASP A 2 -19.100 6.144 2.145 1.00 30.43 C ATOM 7 OD1 ASP A 2 -19.129 6.106 0.898 1.00 65.34 O ATOM 8 OD2 ASP A 2 -20.128 6.192 2.853 1.00 21.54 O ATOM 0 HA ASP A 2 -16.593 5.362 1.198 1.00 71.00 H new ATOM 0 HB2 ASP A 2 -17.889 5.923 3.896 1.00 1.02 H new ATOM 0 HB3 ASP A 2 -17.300 7.123 2.762 1.00 1.02 H new ATOM 13 N CYS A 3 -14.379 4.904 2.280 1.00 63.51 N ATOM 14 CA CYS A 3 -13.055 4.881 2.891 1.00 21.42 C ATOM 15 C CYS A 3 -12.071 5.727 2.089 1.00 52.24 C ATOM 16 O CYS A 3 -12.394 6.217 1.005 1.00 33.35 O ATOM 17 CB CYS A 3 -12.542 3.443 2.994 1.00 74.15 C ATOM 18 SG CYS A 3 -13.791 2.246 3.563 1.00 51.31 S ATOM 0 H CYS A 3 -14.380 4.757 1.271 1.00 63.51 H new ATOM 0 HA CYS A 3 -13.138 5.303 3.893 1.00 21.42 H new ATOM 0 HB2 CYS A 3 -12.173 3.130 2.018 1.00 74.15 H new ATOM 0 HB3 CYS A 3 -11.694 3.419 3.678 1.00 74.15 H new ATOM 23 N LYS A 4 -10.868 5.897 2.628 1.00 73.22 N ATOM 24 CA LYS A 4 -9.836 6.683 1.963 1.00 72.31 C ATOM 25 C LYS A 4 -8.640 5.811 1.596 1.00 22.11 C ATOM 26 O LYS A 4 -7.985 5.240 2.470 1.00 54.14 O ATOM 27 CB LYS A 4 -9.384 7.835 2.864 1.00 22.31 C ATOM 28 CG LYS A 4 -8.024 8.399 2.493 1.00 44.51 C ATOM 29 CD LYS A 4 -7.976 9.907 2.679 1.00 63.12 C ATOM 30 CE LYS A 4 -8.717 10.629 1.563 1.00 3.35 C ATOM 31 NZ LYS A 4 -7.944 10.624 0.291 1.00 41.41 N ATOM 0 H LYS A 4 -10.584 5.501 3.524 1.00 73.22 H new ATOM 0 HA LYS A 4 -10.260 7.092 1.046 1.00 72.31 H new ATOM 0 HB2 LYS A 4 -10.124 8.634 2.817 1.00 22.31 H new ATOM 0 HB3 LYS A 4 -9.355 7.488 3.897 1.00 22.31 H new ATOM 0 HG2 LYS A 4 -7.255 7.931 3.108 1.00 44.51 H new ATOM 0 HG3 LYS A 4 -7.797 8.152 1.456 1.00 44.51 H new ATOM 0 HD2 LYS A 4 -8.417 10.171 3.640 1.00 63.12 H new ATOM 0 HD3 LYS A 4 -6.938 10.239 2.703 1.00 63.12 H new ATOM 0 HE2 LYS A 4 -9.684 10.153 1.402 1.00 3.35 H new ATOM 0 HE3 LYS A 4 -8.914 11.658 1.864 1.00 3.35 H new ATOM 0 HZ1 LYS A 4 -8.396 11.264 -0.393 1.00 41.41 H new ATOM 0 HZ2 LYS A 4 -6.972 10.945 0.474 1.00 41.41 H new ATOM 0 HZ3 LYS A 4 -7.923 9.660 -0.099 1.00 41.41 H new ATOM 45 N ARG A 5 -8.359 5.713 0.301 1.00 74.44 N ATOM 46 CA ARG A 5 -7.241 4.910 -0.180 1.00 20.41 C ATOM 47 C ARG A 5 -6.295 5.751 -1.033 1.00 34.41 C ATOM 48 O ARG A 5 -6.718 6.692 -1.705 1.00 33.05 O ATOM 49 CB ARG A 5 -7.753 3.718 -0.991 1.00 42.53 C ATOM 50 CG ARG A 5 -8.663 4.112 -2.144 1.00 23.12 C ATOM 51 CD ARG A 5 -7.879 4.295 -3.434 1.00 12.35 C ATOM 52 NE ARG A 5 -7.181 3.075 -3.829 1.00 53.44 N ATOM 53 CZ ARG A 5 -6.665 2.881 -5.038 1.00 14.42 C ATOM 54 NH1 ARG A 5 -6.769 3.824 -5.965 1.00 42.50 N ATOM 55 NH2 ARG A 5 -6.045 1.744 -5.322 1.00 1.14 N ATOM 0 H ARG A 5 -8.890 6.180 -0.434 1.00 74.44 H new ATOM 0 HA ARG A 5 -6.691 4.542 0.686 1.00 20.41 H new ATOM 0 HB2 ARG A 5 -6.901 3.164 -1.385 1.00 42.53 H new ATOM 0 HB3 ARG A 5 -8.293 3.043 -0.327 1.00 42.53 H new ATOM 0 HG2 ARG A 5 -9.425 3.346 -2.286 1.00 23.12 H new ATOM 0 HG3 ARG A 5 -9.183 5.038 -1.899 1.00 23.12 H new ATOM 0 HD2 ARG A 5 -8.558 4.598 -4.231 1.00 12.35 H new ATOM 0 HD3 ARG A 5 -7.156 5.101 -3.308 1.00 12.35 H new ATOM 0 HE ARG A 5 -7.084 2.330 -3.139 1.00 53.44 H new ATOM 0 HH11 ARG A 5 -7.246 4.700 -5.750 1.00 42.50 H new ATOM 0 HH12 ARG A 5 -6.372 3.673 -6.893 1.00 42.50 H new ATOM 0 HH21 ARG A 5 -5.964 1.016 -4.612 1.00 1.14 H new ATOM 0 HH22 ARG A 5 -5.650 1.597 -6.251 1.00 1.14 H new ATOM 69 N LYS A 6 -5.013 5.405 -1.000 1.00 74.02 N ATOM 70 CA LYS A 6 -4.006 6.126 -1.771 1.00 15.34 C ATOM 71 C LYS A 6 -2.791 5.243 -2.039 1.00 14.25 C ATOM 72 O LYS A 6 -2.417 4.416 -1.208 1.00 30.24 O ATOM 73 CB LYS A 6 -3.576 7.392 -1.026 1.00 42.03 C ATOM 74 CG LYS A 6 -2.533 8.209 -1.768 1.00 62.05 C ATOM 75 CD LYS A 6 -2.766 9.700 -1.595 1.00 11.52 C ATOM 76 CE LYS A 6 -2.596 10.126 -0.145 1.00 13.33 C ATOM 77 NZ LYS A 6 -2.871 11.577 0.043 1.00 2.44 N ATOM 0 H LYS A 6 -4.646 4.630 -0.448 1.00 74.02 H new ATOM 0 HA LYS A 6 -4.447 6.406 -2.728 1.00 15.34 H new ATOM 0 HB2 LYS A 6 -4.453 8.014 -0.847 1.00 42.03 H new ATOM 0 HB3 LYS A 6 -3.179 7.112 -0.050 1.00 42.03 H new ATOM 0 HG2 LYS A 6 -1.539 7.950 -1.402 1.00 62.05 H new ATOM 0 HG3 LYS A 6 -2.558 7.956 -2.828 1.00 62.05 H new ATOM 0 HD2 LYS A 6 -2.067 10.254 -2.222 1.00 11.52 H new ATOM 0 HD3 LYS A 6 -3.770 9.954 -1.935 1.00 11.52 H new ATOM 0 HE2 LYS A 6 -3.268 9.544 0.486 1.00 13.33 H new ATOM 0 HE3 LYS A 6 -1.580 9.904 0.182 1.00 13.33 H new ATOM 0 HZ1 LYS A 6 -2.744 11.827 1.044 1.00 2.44 H new ATOM 0 HZ2 LYS A 6 -2.213 12.133 -0.539 1.00 2.44 H new ATOM 0 HZ3 LYS A 6 -3.848 11.785 -0.245 1.00 2.44 H new ATOM 91 N VAL A 7 -2.178 5.427 -3.203 1.00 71.41 N ATOM 92 CA VAL A 7 -1.003 4.649 -3.579 1.00 75.12 C ATOM 93 C VAL A 7 0.281 5.425 -3.307 1.00 54.20 C ATOM 94 O VAL A 7 0.347 6.634 -3.531 1.00 73.15 O ATOM 95 CB VAL A 7 -1.045 4.254 -5.068 1.00 23.20 C ATOM 96 CG1 VAL A 7 -1.203 5.488 -5.944 1.00 73.41 C ATOM 97 CG2 VAL A 7 0.207 3.477 -5.447 1.00 42.35 C ATOM 0 H VAL A 7 -2.475 6.108 -3.902 1.00 71.41 H new ATOM 0 HA VAL A 7 -1.014 3.745 -2.970 1.00 75.12 H new ATOM 0 HB VAL A 7 -1.909 3.610 -5.232 1.00 23.20 H new ATOM 0 HG11 VAL A 7 -1.231 5.189 -6.992 1.00 73.41 H new ATOM 0 HG12 VAL A 7 -2.131 6.000 -5.688 1.00 73.41 H new ATOM 0 HG13 VAL A 7 -0.361 6.160 -5.781 1.00 73.41 H new ATOM 0 HG21 VAL A 7 0.161 3.206 -6.502 1.00 42.35 H new ATOM 0 HG22 VAL A 7 1.087 4.095 -5.269 1.00 42.35 H new ATOM 0 HG23 VAL A 7 0.271 2.573 -4.842 1.00 42.35 H new ATOM 107 N TYR A 8 1.298 4.723 -2.821 1.00 62.42 N ATOM 108 CA TYR A 8 2.581 5.346 -2.516 1.00 54.11 C ATOM 109 C TYR A 8 3.668 4.849 -3.464 1.00 13.23 C ATOM 110 O TYR A 8 4.412 3.925 -3.140 1.00 64.11 O ATOM 111 CB TYR A 8 2.980 5.057 -1.069 1.00 12.14 C ATOM 112 CG TYR A 8 3.739 6.188 -0.412 1.00 62.14 C ATOM 113 CD1 TYR A 8 3.215 7.474 -0.375 1.00 11.21 C ATOM 114 CD2 TYR A 8 4.981 5.969 0.171 1.00 3.32 C ATOM 115 CE1 TYR A 8 3.907 8.510 0.223 1.00 40.35 C ATOM 116 CE2 TYR A 8 5.680 6.999 0.772 1.00 11.11 C ATOM 117 CZ TYR A 8 5.138 8.268 0.794 1.00 32.23 C ATOM 118 OH TYR A 8 5.830 9.297 1.392 1.00 54.13 O ATOM 0 H TYR A 8 1.259 3.722 -2.630 1.00 62.42 H new ATOM 0 HA TYR A 8 2.474 6.423 -2.649 1.00 54.11 H new ATOM 0 HB2 TYR A 8 2.082 4.848 -0.488 1.00 12.14 H new ATOM 0 HB3 TYR A 8 3.593 4.156 -1.043 1.00 12.14 H new ATOM 0 HD1 TYR A 8 2.251 7.667 -0.821 1.00 11.21 H new ATOM 0 HD2 TYR A 8 5.408 4.977 0.154 1.00 3.32 H new ATOM 0 HE1 TYR A 8 3.485 9.504 0.243 1.00 40.35 H new ATOM 0 HE2 TYR A 8 6.644 6.812 1.221 1.00 11.11 H new ATOM 0 HH TYR A 8 6.679 8.958 1.746 1.00 54.13 H new ATOM 128 N GLU A 9 3.751 5.471 -4.637 1.00 33.34 N ATOM 129 CA GLU A 9 4.746 5.091 -5.632 1.00 11.22 C ATOM 130 C GLU A 9 6.158 5.338 -5.111 1.00 4.53 C ATOM 131 O GLU A 9 7.131 4.813 -5.651 1.00 2.24 O ATOM 132 CB GLU A 9 4.526 5.873 -6.930 1.00 33.25 C ATOM 133 CG GLU A 9 4.794 7.362 -6.796 1.00 42.43 C ATOM 134 CD GLU A 9 4.335 8.149 -8.008 1.00 32.34 C ATOM 135 OE1 GLU A 9 3.272 7.809 -8.568 1.00 54.13 O ATOM 136 OE2 GLU A 9 5.039 9.104 -8.397 1.00 31.14 O ATOM 0 H GLU A 9 3.142 6.239 -4.920 1.00 33.34 H new ATOM 0 HA GLU A 9 4.632 4.026 -5.834 1.00 11.22 H new ATOM 0 HB2 GLU A 9 5.174 5.464 -7.705 1.00 33.25 H new ATOM 0 HB3 GLU A 9 3.499 5.726 -7.263 1.00 33.25 H new ATOM 0 HG2 GLU A 9 4.287 7.740 -5.909 1.00 42.43 H new ATOM 0 HG3 GLU A 9 5.862 7.523 -6.646 1.00 42.43 H new ATOM 143 N ASN A 10 6.262 6.142 -4.057 1.00 11.51 N ATOM 144 CA ASN A 10 7.556 6.461 -3.463 1.00 74.31 C ATOM 145 C ASN A 10 8.225 5.205 -2.912 1.00 31.21 C ATOM 146 O ASN A 10 9.451 5.118 -2.852 1.00 3.34 O ATOM 147 CB ASN A 10 7.387 7.493 -2.346 1.00 54.34 C ATOM 148 CG ASN A 10 7.791 8.888 -2.783 1.00 62.54 C ATOM 149 OD1 ASN A 10 7.003 9.831 -2.696 1.00 64.10 O ATOM 150 ND2 ASN A 10 9.024 9.025 -3.257 1.00 73.23 N ATOM 0 H ASN A 10 5.466 6.584 -3.597 1.00 11.51 H new ATOM 0 HA ASN A 10 8.193 6.879 -4.242 1.00 74.31 H new ATOM 0 HB2 ASN A 10 6.347 7.504 -2.019 1.00 54.34 H new ATOM 0 HB3 ASN A 10 7.988 7.196 -1.486 1.00 54.34 H new ATOM 0 HD21 ASN A 10 9.352 9.939 -3.567 1.00 73.23 H new ATOM 0 HD22 ASN A 10 9.643 8.216 -3.311 1.00 73.23 H new ATOM 157 N TYR A 11 7.411 4.234 -2.513 1.00 11.44 N ATOM 158 CA TYR A 11 7.924 2.984 -1.965 1.00 74.11 C ATOM 159 C TYR A 11 8.402 2.057 -3.078 1.00 52.23 C ATOM 160 O TYR A 11 7.876 2.060 -4.191 1.00 61.04 O ATOM 161 CB TYR A 11 6.845 2.286 -1.134 1.00 11.11 C ATOM 162 CG TYR A 11 7.226 2.097 0.317 1.00 73.42 C ATOM 163 CD1 TYR A 11 7.730 3.152 1.067 1.00 14.31 C ATOM 164 CD2 TYR A 11 7.084 0.862 0.937 1.00 30.43 C ATOM 165 CE1 TYR A 11 8.080 2.984 2.392 1.00 10.33 C ATOM 166 CE2 TYR A 11 7.430 0.685 2.262 1.00 22.15 C ATOM 167 CZ TYR A 11 7.928 1.749 2.986 1.00 32.41 C ATOM 168 OH TYR A 11 8.276 1.575 4.306 1.00 41.30 O ATOM 0 H TYR A 11 6.393 4.288 -2.559 1.00 11.44 H new ATOM 0 HA TYR A 11 8.773 3.220 -1.323 1.00 74.11 H new ATOM 0 HB2 TYR A 11 5.925 2.868 -1.186 1.00 11.11 H new ATOM 0 HB3 TYR A 11 6.632 1.312 -1.575 1.00 11.11 H new ATOM 0 HD1 TYR A 11 7.850 4.121 0.605 1.00 14.31 H new ATOM 0 HD2 TYR A 11 6.696 0.026 0.373 1.00 30.43 H new ATOM 0 HE1 TYR A 11 8.471 3.815 2.960 1.00 10.33 H new ATOM 0 HE2 TYR A 11 7.311 -0.281 2.729 1.00 22.15 H new ATOM 0 HH TYR A 11 7.787 2.218 4.861 1.00 41.30 H new ATOM 178 N PRO A 12 9.424 1.244 -2.771 1.00 41.12 N ATOM 179 CA PRO A 12 9.996 0.296 -3.732 1.00 3.10 C ATOM 180 C PRO A 12 9.047 -0.856 -4.045 1.00 41.44 C ATOM 181 O PRO A 12 8.350 -1.357 -3.163 1.00 54.25 O ATOM 182 CB PRO A 12 11.246 -0.222 -3.016 1.00 61.41 C ATOM 183 CG PRO A 12 10.953 -0.044 -1.566 1.00 21.31 C ATOM 184 CD PRO A 12 10.099 1.188 -1.464 1.00 51.24 C ATOM 0 HA PRO A 12 10.201 0.765 -4.694 1.00 3.10 H new ATOM 0 HB2 PRO A 12 11.435 -1.268 -3.256 1.00 61.41 H new ATOM 0 HB3 PRO A 12 12.133 0.338 -3.312 1.00 61.41 H new ATOM 0 HG2 PRO A 12 10.433 -0.913 -1.163 1.00 21.31 H new ATOM 0 HG3 PRO A 12 11.873 0.071 -0.993 1.00 21.31 H new ATOM 0 HD2 PRO A 12 9.383 1.114 -0.645 1.00 51.24 H new ATOM 0 HD3 PRO A 12 10.700 2.079 -1.283 1.00 51.24 H new ATOM 192 N VAL A 13 9.024 -1.270 -5.308 1.00 42.22 N ATOM 193 CA VAL A 13 8.161 -2.364 -5.739 1.00 25.24 C ATOM 194 C VAL A 13 8.620 -3.691 -5.145 1.00 73.23 C ATOM 195 O VAL A 13 7.859 -4.658 -5.100 1.00 70.31 O ATOM 196 CB VAL A 13 8.130 -2.484 -7.274 1.00 3.23 C ATOM 197 CG1 VAL A 13 7.183 -3.594 -7.704 1.00 63.10 C ATOM 198 CG2 VAL A 13 7.730 -1.157 -7.903 1.00 21.25 C ATOM 0 H VAL A 13 9.593 -0.864 -6.051 1.00 42.22 H new ATOM 0 HA VAL A 13 7.157 -2.136 -5.381 1.00 25.24 H new ATOM 0 HB VAL A 13 9.131 -2.739 -7.622 1.00 3.23 H new ATOM 0 HG11 VAL A 13 7.174 -3.664 -8.792 1.00 63.10 H new ATOM 0 HG12 VAL A 13 7.518 -4.542 -7.282 1.00 63.10 H new ATOM 0 HG13 VAL A 13 6.177 -3.373 -7.347 1.00 63.10 H new ATOM 0 HG21 VAL A 13 7.713 -1.259 -8.988 1.00 21.25 H new ATOM 0 HG22 VAL A 13 6.739 -0.871 -7.550 1.00 21.25 H new ATOM 0 HG23 VAL A 13 8.451 -0.389 -7.622 1.00 21.25 H new ATOM 208 N SER A 14 9.868 -3.731 -4.692 1.00 71.33 N ATOM 209 CA SER A 14 10.430 -4.942 -4.105 1.00 1.34 C ATOM 210 C SER A 14 9.700 -5.310 -2.816 1.00 55.21 C ATOM 211 O SER A 14 9.590 -6.484 -2.463 1.00 45.11 O ATOM 212 CB SER A 14 11.921 -4.752 -3.822 1.00 3.05 C ATOM 213 OG SER A 14 12.696 -4.994 -4.984 1.00 73.22 O ATOM 0 H SER A 14 10.510 -2.939 -4.720 1.00 71.33 H new ATOM 0 HA SER A 14 10.303 -5.755 -4.820 1.00 1.34 H new ATOM 0 HB2 SER A 14 12.100 -3.737 -3.466 1.00 3.05 H new ATOM 0 HB3 SER A 14 12.232 -5.429 -3.026 1.00 3.05 H new ATOM 0 HG SER A 14 13.645 -4.864 -4.777 1.00 73.22 H new ATOM 219 N LYS A 15 9.201 -4.296 -2.116 1.00 55.23 N ATOM 220 CA LYS A 15 8.479 -4.510 -0.867 1.00 51.02 C ATOM 221 C LYS A 15 7.115 -5.143 -1.129 1.00 4.34 C ATOM 222 O LYS A 15 6.569 -5.839 -0.272 1.00 41.14 O ATOM 223 CB LYS A 15 8.304 -3.185 -0.122 1.00 43.33 C ATOM 224 CG LYS A 15 9.383 -2.922 0.914 1.00 0.13 C ATOM 225 CD LYS A 15 10.774 -3.017 0.308 1.00 54.42 C ATOM 226 CE LYS A 15 11.721 -2.001 0.926 1.00 4.22 C ATOM 227 NZ LYS A 15 12.333 -2.508 2.186 1.00 1.42 N ATOM 0 H LYS A 15 9.284 -3.318 -2.393 1.00 55.23 H new ATOM 0 HA LYS A 15 9.064 -5.192 -0.250 1.00 51.02 H new ATOM 0 HB2 LYS A 15 8.300 -2.369 -0.845 1.00 43.33 H new ATOM 0 HB3 LYS A 15 7.331 -3.180 0.370 1.00 43.33 H new ATOM 0 HG2 LYS A 15 9.240 -1.931 1.346 1.00 0.13 H new ATOM 0 HG3 LYS A 15 9.290 -3.641 1.728 1.00 0.13 H new ATOM 0 HD2 LYS A 15 11.169 -4.022 0.457 1.00 54.42 H new ATOM 0 HD3 LYS A 15 10.715 -2.854 -0.768 1.00 54.42 H new ATOM 0 HE2 LYS A 15 12.508 -1.757 0.212 1.00 4.22 H new ATOM 0 HE3 LYS A 15 11.179 -1.078 1.131 1.00 4.22 H new ATOM 0 HZ1 LYS A 15 12.972 -1.786 2.576 1.00 1.42 H new ATOM 0 HZ2 LYS A 15 11.584 -2.717 2.876 1.00 1.42 H new ATOM 0 HZ3 LYS A 15 12.871 -3.375 1.986 1.00 1.42 H new ATOM 241 N CYS A 16 6.572 -4.897 -2.315 1.00 70.31 N ATOM 242 CA CYS A 16 5.274 -5.443 -2.690 1.00 35.43 C ATOM 243 C CYS A 16 5.239 -6.955 -2.485 1.00 3.43 C ATOM 244 O CYS A 16 4.193 -7.525 -2.175 1.00 62.53 O ATOM 245 CB CYS A 16 4.957 -5.109 -4.149 1.00 52.31 C ATOM 246 SG CYS A 16 3.388 -5.812 -4.750 1.00 52.53 S ATOM 0 H CYS A 16 7.011 -4.322 -3.034 1.00 70.31 H new ATOM 0 HA CYS A 16 4.519 -4.989 -2.048 1.00 35.43 H new ATOM 0 HB2 CYS A 16 4.925 -4.026 -4.263 1.00 52.31 H new ATOM 0 HB3 CYS A 16 5.770 -5.472 -4.778 1.00 52.31 H new ATOM 251 N GLN A 17 6.390 -7.596 -2.659 1.00 0.35 N ATOM 252 CA GLN A 17 6.491 -9.041 -2.493 1.00 63.12 C ATOM 253 C GLN A 17 6.018 -9.464 -1.107 1.00 61.51 C ATOM 254 O GLN A 17 5.588 -10.601 -0.906 1.00 33.01 O ATOM 255 CB GLN A 17 7.933 -9.501 -2.716 1.00 1.04 C ATOM 256 CG GLN A 17 8.534 -9.009 -4.023 1.00 65.30 C ATOM 257 CD GLN A 17 9.922 -9.567 -4.274 1.00 34.13 C ATOM 258 OE1 GLN A 17 10.916 -9.033 -3.782 1.00 54.11 O ATOM 259 NE2 GLN A 17 9.995 -10.648 -5.043 1.00 31.13 N ATOM 0 H GLN A 17 7.265 -7.138 -2.915 1.00 0.35 H new ATOM 0 HA GLN A 17 5.848 -9.513 -3.236 1.00 63.12 H new ATOM 0 HB2 GLN A 17 8.549 -9.151 -1.888 1.00 1.04 H new ATOM 0 HB3 GLN A 17 7.965 -10.590 -2.699 1.00 1.04 H new ATOM 0 HG2 GLN A 17 7.879 -9.290 -4.848 1.00 65.30 H new ATOM 0 HG3 GLN A 17 8.581 -7.920 -4.010 1.00 65.30 H new ATOM 0 HE21 GLN A 17 9.144 -11.057 -5.430 1.00 31.13 H new ATOM 0 HE22 GLN A 17 10.902 -11.069 -5.247 1.00 31.13 H new ATOM 268 N LEU A 18 6.101 -8.545 -0.152 1.00 4.32 N ATOM 269 CA LEU A 18 5.681 -8.822 1.217 1.00 64.23 C ATOM 270 C LEU A 18 4.330 -8.180 1.514 1.00 40.42 C ATOM 271 O LEU A 18 4.083 -7.032 1.147 1.00 5.51 O ATOM 272 CB LEU A 18 6.730 -8.310 2.207 1.00 61.52 C ATOM 273 CG LEU A 18 8.138 -8.887 2.051 1.00 72.31 C ATOM 274 CD1 LEU A 18 9.153 -8.022 2.781 1.00 1.53 C ATOM 275 CD2 LEU A 18 8.187 -10.319 2.563 1.00 2.03 C ATOM 0 H LEU A 18 6.456 -7.600 -0.301 1.00 4.32 H new ATOM 0 HA LEU A 18 5.581 -9.902 1.328 1.00 64.23 H new ATOM 0 HB2 LEU A 18 6.791 -7.226 2.113 1.00 61.52 H new ATOM 0 HB3 LEU A 18 6.381 -8.523 3.218 1.00 61.52 H new ATOM 0 HG LEU A 18 8.393 -8.893 0.991 1.00 72.31 H new ATOM 0 HD11 LEU A 18 10.149 -8.448 2.659 1.00 1.53 H new ATOM 0 HD12 LEU A 18 9.136 -7.014 2.367 1.00 1.53 H new ATOM 0 HD13 LEU A 18 8.902 -7.983 3.841 1.00 1.53 H new ATOM 0 HD21 LEU A 18 9.196 -10.714 2.444 1.00 2.03 H new ATOM 0 HD22 LEU A 18 7.912 -10.338 3.618 1.00 2.03 H new ATOM 0 HD23 LEU A 18 7.488 -10.933 1.995 1.00 2.03 H new ATOM 287 N ALA A 19 3.459 -8.929 2.181 1.00 53.20 N ATOM 288 CA ALA A 19 2.133 -8.431 2.531 1.00 63.14 C ATOM 289 C ALA A 19 2.144 -7.757 3.897 1.00 10.05 C ATOM 290 O ALA A 19 1.497 -6.730 4.098 1.00 72.42 O ATOM 291 CB ALA A 19 1.120 -9.567 2.507 1.00 44.03 C ATOM 0 H ALA A 19 3.647 -9.883 2.490 1.00 53.20 H new ATOM 0 HA ALA A 19 1.843 -7.686 1.790 1.00 63.14 H new ATOM 0 HB1 ALA A 19 0.135 -9.182 2.770 1.00 44.03 H new ATOM 0 HB2 ALA A 19 1.085 -10.002 1.508 1.00 44.03 H new ATOM 0 HB3 ALA A 19 1.414 -10.332 3.226 1.00 44.03 H new ATOM 297 N ASN A 20 2.882 -8.341 4.835 1.00 25.02 N ATOM 298 CA ASN A 20 2.975 -7.796 6.185 1.00 32.03 C ATOM 299 C ASN A 20 3.805 -6.516 6.199 1.00 23.43 C ATOM 300 O ASN A 20 3.713 -5.717 7.130 1.00 4.11 O ATOM 301 CB ASN A 20 3.592 -8.828 7.132 1.00 13.12 C ATOM 302 CG ASN A 20 3.436 -8.439 8.590 1.00 5.21 C ATOM 303 OD1 ASN A 20 4.290 -7.755 9.156 1.00 15.41 O ATOM 304 ND2 ASN A 20 2.344 -8.875 9.205 1.00 22.34 N ATOM 0 H ASN A 20 3.425 -9.192 4.685 1.00 25.02 H new ATOM 0 HA ASN A 20 1.967 -7.558 6.524 1.00 32.03 H new ATOM 0 HB2 ASN A 20 3.122 -9.797 6.965 1.00 13.12 H new ATOM 0 HB3 ASN A 20 4.651 -8.943 6.900 1.00 13.12 H new ATOM 0 HD21 ASN A 20 2.185 -8.646 10.186 1.00 22.34 H new ATOM 0 HD22 ASN A 20 1.663 -9.439 8.696 1.00 22.34 H new ATOM 311 N GLN A 21 4.613 -6.330 5.160 1.00 13.03 N ATOM 312 CA GLN A 21 5.459 -5.147 5.053 1.00 1.22 C ATOM 313 C GLN A 21 4.644 -3.933 4.619 1.00 32.30 C ATOM 314 O GLN A 21 4.807 -2.838 5.158 1.00 1.24 O ATOM 315 CB GLN A 21 6.595 -5.395 4.060 1.00 23.04 C ATOM 316 CG GLN A 21 7.517 -4.200 3.880 1.00 3.41 C ATOM 317 CD GLN A 21 8.852 -4.382 4.576 1.00 33.32 C ATOM 318 OE1 GLN A 21 9.841 -4.771 3.954 1.00 0.41 O ATOM 319 NE2 GLN A 21 8.887 -4.101 5.873 1.00 30.34 N ATOM 0 H GLN A 21 4.700 -6.983 4.381 1.00 13.03 H new ATOM 0 HA GLN A 21 5.883 -4.944 6.036 1.00 1.22 H new ATOM 0 HB2 GLN A 21 7.182 -6.249 4.398 1.00 23.04 H new ATOM 0 HB3 GLN A 21 6.169 -5.664 3.093 1.00 23.04 H new ATOM 0 HG2 GLN A 21 7.686 -4.033 2.816 1.00 3.41 H new ATOM 0 HG3 GLN A 21 7.028 -3.307 4.269 1.00 3.41 H new ATOM 0 HE21 GLN A 21 8.043 -3.781 6.349 1.00 30.34 H new ATOM 0 HE22 GLN A 21 9.758 -4.205 6.394 1.00 30.34 H new ATOM 328 N CYS A 22 3.767 -4.134 3.641 1.00 0.34 N ATOM 329 CA CYS A 22 2.928 -3.056 3.134 1.00 74.11 C ATOM 330 C CYS A 22 2.019 -2.511 4.231 1.00 35.35 C ATOM 331 O CYS A 22 2.113 -1.344 4.607 1.00 2.54 O ATOM 332 CB CYS A 22 2.084 -3.550 1.956 1.00 11.13 C ATOM 333 SG CYS A 22 2.568 -2.846 0.348 1.00 52.40 S ATOM 0 H CYS A 22 3.619 -5.034 3.184 1.00 0.34 H new ATOM 0 HA CYS A 22 3.580 -2.251 2.794 1.00 74.11 H new ATOM 0 HB2 CYS A 22 2.156 -4.636 1.901 1.00 11.13 H new ATOM 0 HB3 CYS A 22 1.038 -3.309 2.146 1.00 11.13 H new ATOM 338 N ASN A 23 1.138 -3.366 4.741 1.00 20.32 N ATOM 339 CA ASN A 23 0.211 -2.971 5.796 1.00 43.12 C ATOM 340 C ASN A 23 0.960 -2.373 6.983 1.00 71.32 C ATOM 341 O ASN A 23 0.439 -1.507 7.687 1.00 63.12 O ATOM 342 CB ASN A 23 -0.616 -4.175 6.254 1.00 3.22 C ATOM 343 CG ASN A 23 0.058 -4.945 7.374 1.00 61.24 C ATOM 344 OD1 ASN A 23 1.119 -5.541 7.182 1.00 54.12 O ATOM 345 ND2 ASN A 23 -0.557 -4.938 8.550 1.00 10.42 N ATOM 0 H ASN A 23 1.047 -4.337 4.441 1.00 20.32 H new ATOM 0 HA ASN A 23 -0.458 -2.211 5.392 1.00 43.12 H new ATOM 0 HB2 ASN A 23 -1.595 -3.834 6.589 1.00 3.22 H new ATOM 0 HB3 ASN A 23 -0.783 -4.841 5.408 1.00 3.22 H new ATOM 0 HD21 ASN A 23 -0.152 -5.440 9.340 1.00 10.42 H new ATOM 0 HD22 ASN A 23 -1.435 -4.431 8.664 1.00 10.42 H new ATOM 352 N TYR A 24 2.185 -2.840 7.198 1.00 40.55 N ATOM 353 CA TYR A 24 3.007 -2.352 8.299 1.00 13.15 C ATOM 354 C TYR A 24 3.395 -0.892 8.085 1.00 3.45 C ATOM 355 O TYR A 24 3.230 -0.057 8.974 1.00 12.44 O ATOM 356 CB TYR A 24 4.265 -3.209 8.445 1.00 75.45 C ATOM 357 CG TYR A 24 5.288 -2.629 9.393 1.00 54.42 C ATOM 358 CD1 TYR A 24 5.210 -2.866 10.760 1.00 45.30 C ATOM 359 CD2 TYR A 24 6.333 -1.844 8.922 1.00 4.42 C ATOM 360 CE1 TYR A 24 6.144 -2.335 11.630 1.00 70.11 C ATOM 361 CE2 TYR A 24 7.271 -1.310 9.785 1.00 23.15 C ATOM 362 CZ TYR A 24 7.171 -1.559 11.138 1.00 4.35 C ATOM 363 OH TYR A 24 8.104 -1.031 12.002 1.00 40.54 O ATOM 0 H TYR A 24 2.631 -3.556 6.624 1.00 40.55 H new ATOM 0 HA TYR A 24 2.420 -2.423 9.214 1.00 13.15 H new ATOM 0 HB2 TYR A 24 3.980 -4.201 8.795 1.00 75.45 H new ATOM 0 HB3 TYR A 24 4.723 -3.337 7.464 1.00 75.45 H new ATOM 0 HD1 TYR A 24 4.407 -3.475 11.149 1.00 45.30 H new ATOM 0 HD2 TYR A 24 6.414 -1.648 7.863 1.00 4.42 H new ATOM 0 HE1 TYR A 24 6.069 -2.527 12.690 1.00 70.11 H new ATOM 0 HE2 TYR A 24 8.077 -0.702 9.403 1.00 23.15 H new ATOM 0 HH TYR A 24 8.761 -0.510 11.495 1.00 40.54 H new ATOM 373 N ASP A 25 3.912 -0.593 6.899 1.00 41.25 N ATOM 374 CA ASP A 25 4.323 0.766 6.564 1.00 2.24 C ATOM 375 C ASP A 25 3.109 1.670 6.373 1.00 34.41 C ATOM 376 O ASP A 25 3.173 2.874 6.623 1.00 74.24 O ATOM 377 CB ASP A 25 5.179 0.766 5.297 1.00 34.44 C ATOM 378 CG ASP A 25 5.279 2.141 4.666 1.00 2.01 C ATOM 379 OD1 ASP A 25 6.183 2.908 5.056 1.00 71.53 O ATOM 380 OD2 ASP A 25 4.452 2.450 3.781 1.00 32.25 O ATOM 0 H ASP A 25 4.057 -1.273 6.153 1.00 41.25 H new ATOM 0 HA ASP A 25 4.915 1.154 7.393 1.00 2.24 H new ATOM 0 HB2 ASP A 25 6.179 0.406 5.538 1.00 34.44 H new ATOM 0 HB3 ASP A 25 4.755 0.068 4.575 1.00 34.44 H new ATOM 385 N CYS A 26 2.004 1.081 5.929 1.00 55.42 N ATOM 386 CA CYS A 26 0.775 1.832 5.702 1.00 3.25 C ATOM 387 C CYS A 26 0.104 2.189 7.026 1.00 53.23 C ATOM 388 O CYS A 26 -0.193 3.354 7.290 1.00 43.44 O ATOM 389 CB CYS A 26 -0.189 1.023 4.832 1.00 42.23 C ATOM 390 SG CYS A 26 0.301 0.920 3.079 1.00 30.03 S ATOM 0 H CYS A 26 1.934 0.085 5.719 1.00 55.42 H new ATOM 0 HA CYS A 26 1.034 2.756 5.184 1.00 3.25 H new ATOM 0 HB2 CYS A 26 -0.267 0.014 5.236 1.00 42.23 H new ATOM 0 HB3 CYS A 26 -1.181 1.470 4.895 1.00 42.23 H new ATOM 395 N LYS A 27 -0.133 1.178 7.855 1.00 44.13 N ATOM 396 CA LYS A 27 -0.767 1.384 9.152 1.00 72.44 C ATOM 397 C LYS A 27 0.139 2.187 10.080 1.00 71.45 C ATOM 398 O LYS A 27 -0.291 2.648 11.137 1.00 44.32 O ATOM 399 CB LYS A 27 -1.108 0.037 9.794 1.00 73.11 C ATOM 400 CG LYS A 27 -2.193 -0.731 9.058 1.00 44.42 C ATOM 401 CD LYS A 27 -3.128 -1.438 10.024 1.00 52.23 C ATOM 402 CE LYS A 27 -2.380 -2.427 10.902 1.00 23.12 C ATOM 403 NZ LYS A 27 -3.306 -3.355 11.608 1.00 70.13 N ATOM 0 H LYS A 27 0.105 0.207 7.652 1.00 44.13 H new ATOM 0 HA LYS A 27 -1.686 1.948 8.994 1.00 72.44 H new ATOM 0 HB2 LYS A 27 -0.207 -0.574 9.836 1.00 73.11 H new ATOM 0 HB3 LYS A 27 -1.427 0.205 10.823 1.00 73.11 H new ATOM 0 HG2 LYS A 27 -2.765 -0.045 8.433 1.00 44.42 H new ATOM 0 HG3 LYS A 27 -1.735 -1.463 8.393 1.00 44.42 H new ATOM 0 HD2 LYS A 27 -3.630 -0.701 10.651 1.00 52.23 H new ATOM 0 HD3 LYS A 27 -3.903 -1.961 9.464 1.00 52.23 H new ATOM 0 HE2 LYS A 27 -1.686 -3.003 10.290 1.00 23.12 H new ATOM 0 HE3 LYS A 27 -1.783 -1.883 11.634 1.00 23.12 H new ATOM 0 HZ1 LYS A 27 -2.756 -4.013 12.196 1.00 70.13 H new ATOM 0 HZ2 LYS A 27 -3.952 -2.808 12.212 1.00 70.13 H new ATOM 0 HZ3 LYS A 27 -3.858 -3.893 10.910 1.00 70.13 H new ATOM 417 N LEU A 28 1.395 2.350 9.676 1.00 12.22 N ATOM 418 CA LEU A 28 2.362 3.100 10.471 1.00 71.31 C ATOM 419 C LEU A 28 2.169 4.601 10.290 1.00 53.43 C ATOM 420 O LEU A 28 1.864 5.318 11.243 1.00 30.11 O ATOM 421 CB LEU A 28 3.787 2.706 10.080 1.00 35.44 C ATOM 422 CG LEU A 28 4.911 3.462 10.790 1.00 55.11 C ATOM 423 CD1 LEU A 28 5.204 4.773 10.077 1.00 42.13 C ATOM 424 CD2 LEU A 28 4.547 3.714 12.246 1.00 61.21 C ATOM 0 H LEU A 28 1.767 1.973 8.804 1.00 12.22 H new ATOM 0 HA LEU A 28 2.199 2.856 11.521 1.00 71.31 H new ATOM 0 HB2 LEU A 28 3.914 1.641 10.273 1.00 35.44 H new ATOM 0 HB3 LEU A 28 3.901 2.851 9.006 1.00 35.44 H new ATOM 0 HG LEU A 28 5.811 2.848 10.763 1.00 55.11 H new ATOM 0 HD11 LEU A 28 6.006 5.298 10.596 1.00 42.13 H new ATOM 0 HD12 LEU A 28 5.508 4.569 9.050 1.00 42.13 H new ATOM 0 HD13 LEU A 28 4.308 5.393 10.073 1.00 42.13 H new ATOM 0 HD21 LEU A 28 5.358 4.253 12.736 1.00 61.21 H new ATOM 0 HD22 LEU A 28 3.635 4.308 12.295 1.00 61.21 H new ATOM 0 HD23 LEU A 28 4.387 2.761 12.751 1.00 61.21 H new ATOM 436 N ASP A 29 2.346 5.071 9.060 1.00 61.30 N ATOM 437 CA ASP A 29 2.188 6.488 8.752 1.00 71.52 C ATOM 438 C ASP A 29 0.777 6.781 8.253 1.00 74.03 C ATOM 439 O ASP A 29 0.099 7.673 8.765 1.00 71.44 O ATOM 440 CB ASP A 29 3.213 6.921 7.703 1.00 72.35 C ATOM 441 CG ASP A 29 3.438 8.420 7.697 1.00 62.30 C ATOM 442 OD1 ASP A 29 3.145 9.067 8.724 1.00 15.42 O ATOM 443 OD2 ASP A 29 3.908 8.945 6.667 1.00 73.21 O ATOM 0 H ASP A 29 2.599 4.491 8.260 1.00 61.30 H new ATOM 0 HA ASP A 29 2.355 7.055 9.668 1.00 71.52 H new ATOM 0 HB2 ASP A 29 4.160 6.415 7.894 1.00 72.35 H new ATOM 0 HB3 ASP A 29 2.875 6.603 6.717 1.00 72.35 H new ATOM 448 N LYS A 30 0.339 6.027 7.251 1.00 64.44 N ATOM 449 CA LYS A 30 -0.991 6.204 6.682 1.00 14.34 C ATOM 450 C LYS A 30 -2.067 5.732 7.655 1.00 44.42 C ATOM 451 O LYS A 30 -3.257 5.966 7.442 1.00 30.31 O ATOM 452 CB LYS A 30 -1.111 5.439 5.363 1.00 44.03 C ATOM 453 CG LYS A 30 0.090 5.611 4.449 1.00 64.34 C ATOM 454 CD LYS A 30 -0.323 6.101 3.071 1.00 54.12 C ATOM 455 CE LYS A 30 -0.671 7.581 3.087 1.00 11.43 C ATOM 456 NZ LYS A 30 -1.771 7.904 2.137 1.00 41.02 N ATOM 0 H LYS A 30 0.888 5.286 6.815 1.00 64.44 H new ATOM 0 HA LYS A 30 -1.138 7.267 6.493 1.00 14.34 H new ATOM 0 HB2 LYS A 30 -1.244 4.379 5.578 1.00 44.03 H new ATOM 0 HB3 LYS A 30 -2.007 5.773 4.839 1.00 44.03 H new ATOM 0 HG2 LYS A 30 0.788 6.320 4.894 1.00 64.34 H new ATOM 0 HG3 LYS A 30 0.616 4.661 4.356 1.00 64.34 H new ATOM 0 HD2 LYS A 30 0.487 5.924 2.363 1.00 54.12 H new ATOM 0 HD3 LYS A 30 -1.182 5.528 2.722 1.00 54.12 H new ATOM 0 HE2 LYS A 30 -0.965 7.874 4.095 1.00 11.43 H new ATOM 0 HE3 LYS A 30 0.213 8.164 2.830 1.00 11.43 H new ATOM 0 HZ1 LYS A 30 -2.001 8.916 2.203 1.00 41.02 H new ATOM 0 HZ2 LYS A 30 -1.469 7.680 1.167 1.00 41.02 H new ATOM 0 HZ3 LYS A 30 -2.613 7.342 2.376 1.00 41.02 H new ATOM 470 N HIS A 31 -1.640 5.068 8.724 1.00 30.51 N ATOM 471 CA HIS A 31 -2.568 4.564 9.731 1.00 23.43 C ATOM 472 C HIS A 31 -3.695 3.768 9.082 1.00 73.21 C ATOM 473 O HIS A 31 -4.801 3.690 9.617 1.00 12.12 O ATOM 474 CB HIS A 31 -3.146 5.722 10.545 1.00 33.44 C ATOM 475 CG HIS A 31 -2.204 6.257 11.579 1.00 15.03 C ATOM 476 ND1 HIS A 31 -1.203 5.500 12.150 1.00 35.43 N ATOM 477 CD2 HIS A 31 -2.114 7.485 12.143 1.00 31.41 C ATOM 478 CE1 HIS A 31 -0.539 6.238 13.023 1.00 73.44 C ATOM 479 NE2 HIS A 31 -1.071 7.446 13.036 1.00 32.42 N ATOM 0 H HIS A 31 -0.659 4.866 8.916 1.00 30.51 H new ATOM 0 HA HIS A 31 -2.018 3.900 10.398 1.00 23.43 H new ATOM 0 HB2 HIS A 31 -3.424 6.529 9.867 1.00 33.44 H new ATOM 0 HB3 HIS A 31 -4.060 5.389 11.036 1.00 33.44 H new ATOM 0 HD2 HIS A 31 -2.744 8.336 11.930 1.00 31.41 H new ATOM 0 HE1 HIS A 31 0.296 5.909 13.623 1.00 73.44 H new ATOM 0 HE2 HIS A 31 -0.758 8.225 13.616 1.00 32.42 H new ATOM 487 N ALA A 32 -3.408 3.180 7.926 1.00 20.31 N ATOM 488 CA ALA A 32 -4.398 2.389 7.205 1.00 42.44 C ATOM 489 C ALA A 32 -4.862 1.199 8.037 1.00 13.12 C ATOM 490 O ALA A 32 -4.628 1.144 9.244 1.00 73.01 O ATOM 491 CB ALA A 32 -3.829 1.916 5.875 1.00 1.34 C ATOM 0 H ALA A 32 -2.498 3.236 7.468 1.00 20.31 H new ATOM 0 HA ALA A 32 -5.263 3.023 7.013 1.00 42.44 H new ATOM 0 HB1 ALA A 32 -4.579 1.327 5.347 1.00 1.34 H new ATOM 0 HB2 ALA A 32 -3.554 2.779 5.269 1.00 1.34 H new ATOM 0 HB3 ALA A 32 -2.946 1.303 6.055 1.00 1.34 H new ATOM 497 N ARG A 33 -5.522 0.247 7.383 1.00 2.34 N ATOM 498 CA ARG A 33 -6.021 -0.941 8.064 1.00 12.24 C ATOM 499 C ARG A 33 -5.653 -2.205 7.292 1.00 44.14 C ATOM 500 O ARG A 33 -5.296 -3.224 7.883 1.00 3.11 O ATOM 501 CB ARG A 33 -7.539 -0.858 8.235 1.00 23.11 C ATOM 502 CG ARG A 33 -8.074 -1.729 9.360 1.00 50.01 C ATOM 503 CD ARG A 33 -9.575 -1.556 9.532 1.00 71.22 C ATOM 504 NE ARG A 33 -10.059 -2.172 10.765 1.00 10.42 N ATOM 505 CZ ARG A 33 -10.226 -3.481 10.916 1.00 75.31 C ATOM 506 NH1 ARG A 33 -9.951 -4.307 9.917 1.00 60.34 N ATOM 507 NH2 ARG A 33 -10.671 -3.966 12.068 1.00 21.13 N ATOM 0 H ARG A 33 -5.723 0.276 6.383 1.00 2.34 H new ATOM 0 HA ARG A 33 -5.554 -0.988 9.048 1.00 12.24 H new ATOM 0 HB2 ARG A 33 -7.819 0.178 8.425 1.00 23.11 H new ATOM 0 HB3 ARG A 33 -8.018 -1.151 7.301 1.00 23.11 H new ATOM 0 HG2 ARG A 33 -7.849 -2.775 9.151 1.00 50.01 H new ATOM 0 HG3 ARG A 33 -7.568 -1.474 10.291 1.00 50.01 H new ATOM 0 HD2 ARG A 33 -9.819 -0.494 9.537 1.00 71.22 H new ATOM 0 HD3 ARG A 33 -10.091 -1.997 8.679 1.00 71.22 H new ATOM 0 HE ARG A 33 -10.281 -1.564 11.553 1.00 10.42 H new ATOM 0 HH11 ARG A 33 -9.610 -3.938 9.029 1.00 60.34 H new ATOM 0 HH12 ARG A 33 -10.080 -5.312 10.036 1.00 60.34 H new ATOM 0 HH21 ARG A 33 -10.885 -3.333 12.839 1.00 21.13 H new ATOM 0 HH22 ARG A 33 -10.799 -4.971 12.183 1.00 21.13 H new ATOM 521 N SER A 34 -5.744 -2.131 5.968 1.00 1.40 N ATOM 522 CA SER A 34 -5.425 -3.269 5.114 1.00 34.24 C ATOM 523 C SER A 34 -4.443 -2.867 4.018 1.00 71.31 C ATOM 524 O SER A 34 -4.552 -3.315 2.878 1.00 22.41 O ATOM 525 CB SER A 34 -6.700 -3.837 4.490 1.00 74.04 C ATOM 526 OG SER A 34 -6.455 -5.094 3.883 1.00 63.03 O ATOM 0 H SER A 34 -6.036 -1.294 5.463 1.00 1.40 H new ATOM 0 HA SER A 34 -4.958 -4.037 5.731 1.00 34.24 H new ATOM 0 HB2 SER A 34 -7.468 -3.943 5.257 1.00 74.04 H new ATOM 0 HB3 SER A 34 -7.086 -3.140 3.747 1.00 74.04 H new ATOM 0 HG SER A 34 -5.692 -5.019 3.273 1.00 63.03 H new ATOM 532 N GLY A 35 -3.483 -2.019 4.373 1.00 3.13 N ATOM 533 CA GLY A 35 -2.495 -1.570 3.410 1.00 1.12 C ATOM 534 C GLY A 35 -1.847 -2.721 2.665 1.00 33.22 C ATOM 535 O GLY A 35 -1.229 -3.592 3.276 1.00 63.14 O ATOM 0 H GLY A 35 -3.372 -1.635 5.311 1.00 3.13 H new ATOM 0 HA2 GLY A 35 -2.969 -0.899 2.694 1.00 1.12 H new ATOM 0 HA3 GLY A 35 -1.725 -0.995 3.925 1.00 1.12 H new ATOM 539 N GLU A 36 -1.992 -2.725 1.344 1.00 2.33 N ATOM 540 CA GLU A 36 -1.417 -3.780 0.517 1.00 11.21 C ATOM 541 C GLU A 36 -1.047 -3.247 -0.864 1.00 50.41 C ATOM 542 O GLU A 36 -1.428 -2.136 -1.237 1.00 22.04 O ATOM 543 CB GLU A 36 -2.401 -4.944 0.379 1.00 3.13 C ATOM 544 CG GLU A 36 -1.727 -6.287 0.160 1.00 5.03 C ATOM 545 CD GLU A 36 -2.623 -7.456 0.523 1.00 50.13 C ATOM 546 OE1 GLU A 36 -2.649 -7.836 1.713 1.00 41.45 O ATOM 547 OE2 GLU A 36 -3.298 -7.991 -0.381 1.00 44.31 O ATOM 0 H GLU A 36 -2.502 -2.011 0.824 1.00 2.33 H new ATOM 0 HA GLU A 36 -0.510 -4.136 1.006 1.00 11.21 H new ATOM 0 HB2 GLU A 36 -3.016 -4.998 1.278 1.00 3.13 H new ATOM 0 HB3 GLU A 36 -3.073 -4.744 -0.455 1.00 3.13 H new ATOM 0 HG2 GLU A 36 -1.429 -6.373 -0.885 1.00 5.03 H new ATOM 0 HG3 GLU A 36 -0.816 -6.334 0.756 1.00 5.03 H new ATOM 554 N CYS A 37 -0.301 -4.046 -1.620 1.00 1.15 N ATOM 555 CA CYS A 37 0.123 -3.657 -2.959 1.00 54.23 C ATOM 556 C CYS A 37 -0.708 -4.371 -4.022 1.00 24.34 C ATOM 557 O CYS A 37 -1.241 -5.455 -3.783 1.00 53.32 O ATOM 558 CB CYS A 37 1.607 -3.971 -3.159 1.00 30.02 C ATOM 559 SG CYS A 37 1.969 -5.745 -3.367 1.00 41.11 S ATOM 0 H CYS A 37 0.022 -4.968 -1.327 1.00 1.15 H new ATOM 0 HA CYS A 37 -0.031 -2.583 -3.064 1.00 54.23 H new ATOM 0 HB2 CYS A 37 1.967 -3.432 -4.036 1.00 30.02 H new ATOM 0 HB3 CYS A 37 2.166 -3.595 -2.302 1.00 30.02 H new ATOM 564 N PHE A 38 -0.812 -3.756 -5.195 1.00 54.43 N ATOM 565 CA PHE A 38 -1.578 -4.332 -6.295 1.00 2.41 C ATOM 566 C PHE A 38 -1.244 -3.638 -7.613 1.00 25.04 C ATOM 567 O PHE A 38 -0.730 -2.519 -7.624 1.00 63.45 O ATOM 568 CB PHE A 38 -3.077 -4.221 -6.013 1.00 31.42 C ATOM 569 CG PHE A 38 -3.856 -5.436 -6.429 1.00 34.24 C ATOM 570 CD1 PHE A 38 -3.518 -6.690 -5.948 1.00 34.55 C ATOM 571 CD2 PHE A 38 -4.927 -5.324 -7.301 1.00 50.42 C ATOM 572 CE1 PHE A 38 -4.234 -7.811 -6.327 1.00 64.43 C ATOM 573 CE2 PHE A 38 -5.646 -6.440 -7.684 1.00 51.31 C ATOM 574 CZ PHE A 38 -5.298 -7.686 -7.198 1.00 53.31 C ATOM 0 H PHE A 38 -0.376 -2.859 -5.409 1.00 54.43 H new ATOM 0 HA PHE A 38 -1.308 -5.385 -6.381 1.00 2.41 H new ATOM 0 HB2 PHE A 38 -3.227 -4.051 -4.947 1.00 31.42 H new ATOM 0 HB3 PHE A 38 -3.473 -3.349 -6.534 1.00 31.42 H new ATOM 0 HD1 PHE A 38 -2.685 -6.794 -5.269 1.00 34.55 H new ATOM 0 HD2 PHE A 38 -5.203 -4.353 -7.686 1.00 50.42 H new ATOM 0 HE1 PHE A 38 -3.961 -8.783 -5.942 1.00 64.43 H new ATOM 0 HE2 PHE A 38 -6.480 -6.339 -8.363 1.00 51.31 H new ATOM 0 HZ PHE A 38 -5.857 -8.560 -7.499 1.00 53.31 H new ATOM 584 N TYR A 39 -1.539 -4.311 -8.719 1.00 51.25 N ATOM 585 CA TYR A 39 -1.268 -3.761 -10.042 1.00 43.24 C ATOM 586 C TYR A 39 -2.207 -2.600 -10.353 1.00 10.34 C ATOM 587 O TYR A 39 -3.418 -2.695 -10.149 1.00 42.34 O ATOM 588 CB TYR A 39 -1.412 -4.849 -11.108 1.00 42.50 C ATOM 589 CG TYR A 39 -2.836 -5.319 -11.304 1.00 61.21 C ATOM 590 CD1 TYR A 39 -3.358 -6.353 -10.537 1.00 71.05 C ATOM 591 CD2 TYR A 39 -3.659 -4.728 -12.256 1.00 21.25 C ATOM 592 CE1 TYR A 39 -4.658 -6.786 -10.713 1.00 34.42 C ATOM 593 CE2 TYR A 39 -4.960 -5.154 -12.438 1.00 31.13 C ATOM 594 CZ TYR A 39 -5.455 -6.184 -11.664 1.00 54.24 C ATOM 595 OH TYR A 39 -6.751 -6.612 -11.841 1.00 43.32 O ATOM 0 H TYR A 39 -1.965 -5.238 -8.726 1.00 51.25 H new ATOM 0 HA TYR A 39 -0.244 -3.387 -10.050 1.00 43.24 H new ATOM 0 HB2 TYR A 39 -1.029 -4.470 -12.056 1.00 42.50 H new ATOM 0 HB3 TYR A 39 -0.792 -5.701 -10.831 1.00 42.50 H new ATOM 0 HD1 TYR A 39 -2.737 -6.826 -9.791 1.00 71.05 H new ATOM 0 HD2 TYR A 39 -3.274 -3.922 -12.863 1.00 21.25 H new ATOM 0 HE1 TYR A 39 -5.048 -7.592 -10.109 1.00 34.42 H new ATOM 0 HE2 TYR A 39 -5.586 -4.684 -13.182 1.00 31.13 H new ATOM 0 HH TYR A 39 -7.176 -6.084 -12.548 1.00 43.32 H new ATOM 605 N ASP A 40 -1.641 -1.506 -10.848 1.00 44.23 N ATOM 606 CA ASP A 40 -2.425 -0.326 -11.190 1.00 14.43 C ATOM 607 C ASP A 40 -2.908 -0.393 -12.635 1.00 35.21 C ATOM 608 O ASP A 40 -2.683 -1.385 -13.328 1.00 14.32 O ATOM 609 CB ASP A 40 -1.600 0.944 -10.973 1.00 70.44 C ATOM 610 CG ASP A 40 -2.420 2.076 -10.388 1.00 13.13 C ATOM 611 OD1 ASP A 40 -3.665 2.003 -10.455 1.00 70.23 O ATOM 612 OD2 ASP A 40 -1.818 3.037 -9.864 1.00 61.12 O ATOM 0 H ASP A 40 -0.640 -1.412 -11.022 1.00 44.23 H new ATOM 0 HA ASP A 40 -3.296 -0.299 -10.536 1.00 14.43 H new ATOM 0 HB2 ASP A 40 -0.766 0.722 -10.307 1.00 70.44 H new ATOM 0 HB3 ASP A 40 -1.173 1.263 -11.924 1.00 70.44 H new ATOM 617 N GLU A 41 -3.572 0.668 -13.082 1.00 34.12 N ATOM 618 CA GLU A 41 -4.088 0.726 -14.445 1.00 50.45 C ATOM 619 C GLU A 41 -2.948 0.700 -15.460 1.00 33.23 C ATOM 620 O GLU A 41 -3.142 0.330 -16.617 1.00 63.13 O ATOM 621 CB GLU A 41 -4.930 1.989 -14.641 1.00 42.44 C ATOM 622 CG GLU A 41 -4.121 3.274 -14.589 1.00 53.35 C ATOM 623 CD GLU A 41 -4.949 4.467 -14.152 1.00 1.42 C ATOM 624 OE1 GLU A 41 -5.892 4.837 -14.883 1.00 21.12 O ATOM 625 OE2 GLU A 41 -4.653 5.031 -13.078 1.00 1.14 O ATOM 0 H GLU A 41 -3.765 1.498 -12.521 1.00 34.12 H new ATOM 0 HA GLU A 41 -4.716 -0.150 -14.606 1.00 50.45 H new ATOM 0 HB2 GLU A 41 -5.440 1.930 -15.602 1.00 42.44 H new ATOM 0 HB3 GLU A 41 -5.702 2.024 -13.872 1.00 42.44 H new ATOM 0 HG2 GLU A 41 -3.285 3.145 -13.901 1.00 53.35 H new ATOM 0 HG3 GLU A 41 -3.697 3.472 -15.573 1.00 53.35 H new ATOM 632 N LYS A 42 -1.760 1.094 -15.015 1.00 44.33 N ATOM 633 CA LYS A 42 -0.587 1.116 -15.883 1.00 32.55 C ATOM 634 C LYS A 42 0.278 -0.120 -15.657 1.00 72.35 C ATOM 635 O LYS A 42 1.484 -0.097 -15.902 1.00 24.44 O ATOM 636 CB LYS A 42 0.236 2.381 -15.630 1.00 63.11 C ATOM 637 CG LYS A 42 -0.463 3.658 -16.063 1.00 23.23 C ATOM 638 CD LYS A 42 -0.337 3.882 -17.561 1.00 4.44 C ATOM 639 CE LYS A 42 -1.245 5.007 -18.034 1.00 41.40 C ATOM 640 NZ LYS A 42 -0.567 6.331 -17.973 1.00 63.12 N ATOM 0 H LYS A 42 -1.583 1.402 -14.059 1.00 44.33 H new ATOM 0 HA LYS A 42 -0.930 1.114 -16.918 1.00 32.55 H new ATOM 0 HB2 LYS A 42 0.469 2.447 -14.567 1.00 63.11 H new ATOM 0 HB3 LYS A 42 1.185 2.299 -16.160 1.00 63.11 H new ATOM 0 HG2 LYS A 42 -1.517 3.608 -15.789 1.00 23.23 H new ATOM 0 HG3 LYS A 42 -0.035 4.507 -15.530 1.00 23.23 H new ATOM 0 HD2 LYS A 42 0.698 4.119 -17.809 1.00 4.44 H new ATOM 0 HD3 LYS A 42 -0.589 2.963 -18.090 1.00 4.44 H new ATOM 0 HE2 LYS A 42 -1.565 4.810 -19.057 1.00 41.40 H new ATOM 0 HE3 LYS A 42 -2.144 5.031 -17.418 1.00 41.40 H new ATOM 0 HZ1 LYS A 42 -1.219 7.071 -18.304 1.00 63.12 H new ATOM 0 HZ2 LYS A 42 -0.284 6.531 -16.992 1.00 63.12 H new ATOM 0 HZ3 LYS A 42 0.277 6.317 -18.580 1.00 63.12 H new ATOM 654 N ARG A 43 -0.346 -1.197 -15.192 1.00 14.34 N ATOM 655 CA ARG A 43 0.367 -2.442 -14.935 1.00 14.42 C ATOM 656 C ARG A 43 1.554 -2.207 -14.005 1.00 15.35 C ATOM 657 O ARG A 43 2.542 -2.939 -14.045 1.00 54.25 O ATOM 658 CB ARG A 43 0.849 -3.059 -16.249 1.00 2.24 C ATOM 659 CG ARG A 43 -0.209 -3.889 -16.956 1.00 34.32 C ATOM 660 CD ARG A 43 -0.395 -5.243 -16.286 1.00 41.54 C ATOM 661 NE ARG A 43 0.680 -6.172 -16.624 1.00 11.04 N ATOM 662 CZ ARG A 43 0.758 -6.816 -17.783 1.00 3.04 C ATOM 663 NH1 ARG A 43 -0.169 -6.631 -18.712 1.00 42.21 N ATOM 664 NH2 ARG A 43 1.767 -7.646 -18.015 1.00 11.11 N ATOM 0 H ARG A 43 -1.344 -1.232 -14.985 1.00 14.34 H new ATOM 0 HA ARG A 43 -0.322 -3.132 -14.449 1.00 14.42 H new ATOM 0 HB2 ARG A 43 1.179 -2.262 -16.915 1.00 2.24 H new ATOM 0 HB3 ARG A 43 1.717 -3.687 -16.049 1.00 2.24 H new ATOM 0 HG2 ARG A 43 -1.156 -3.349 -16.957 1.00 34.32 H new ATOM 0 HG3 ARG A 43 0.077 -4.034 -17.998 1.00 34.32 H new ATOM 0 HD2 ARG A 43 -0.433 -5.110 -15.205 1.00 41.54 H new ATOM 0 HD3 ARG A 43 -1.351 -5.669 -16.589 1.00 41.54 H new ATOM 0 HE ARG A 43 1.411 -6.335 -15.932 1.00 11.04 H new ATOM 0 HH11 ARG A 43 -0.945 -5.993 -18.538 1.00 42.21 H new ATOM 0 HH12 ARG A 43 -0.106 -7.127 -19.601 1.00 42.21 H new ATOM 0 HH21 ARG A 43 2.483 -7.790 -17.303 1.00 11.11 H new ATOM 0 HH22 ARG A 43 1.826 -8.140 -18.905 1.00 11.11 H new ATOM 678 N ASN A 44 1.449 -1.179 -13.168 1.00 41.22 N ATOM 679 CA ASN A 44 2.514 -0.846 -12.230 1.00 12.12 C ATOM 680 C ASN A 44 2.174 -1.334 -10.825 1.00 35.02 C ATOM 681 O ASN A 44 1.127 -0.990 -10.273 1.00 60.30 O ATOM 682 CB ASN A 44 2.753 0.666 -12.212 1.00 31.22 C ATOM 683 CG ASN A 44 3.318 1.177 -13.524 1.00 31.44 C ATOM 684 OD1 ASN A 44 4.171 0.535 -14.137 1.00 53.42 O ATOM 685 ND2 ASN A 44 2.844 2.338 -13.959 1.00 53.45 N ATOM 0 H ASN A 44 0.637 -0.563 -13.121 1.00 41.22 H new ATOM 0 HA ASN A 44 3.424 -1.347 -12.560 1.00 12.12 H new ATOM 0 HB2 ASN A 44 1.814 1.177 -12.000 1.00 31.22 H new ATOM 0 HB3 ASN A 44 3.440 0.913 -11.403 1.00 31.22 H new ATOM 0 HD21 ASN A 44 3.187 2.733 -14.835 1.00 53.45 H new ATOM 0 HD22 ASN A 44 2.137 2.835 -13.417 1.00 53.45 H new ATOM 692 N LEU A 45 3.063 -2.137 -10.252 1.00 1.00 N ATOM 693 CA LEU A 45 2.858 -2.672 -8.910 1.00 63.44 C ATOM 694 C LEU A 45 3.341 -1.688 -7.851 1.00 0.40 C ATOM 695 O LEU A 45 4.533 -1.397 -7.758 1.00 61.22 O ATOM 696 CB LEU A 45 3.591 -4.006 -8.755 1.00 72.30 C ATOM 697 CG LEU A 45 3.512 -4.959 -9.949 1.00 14.31 C ATOM 698 CD1 LEU A 45 4.723 -4.784 -10.852 1.00 43.51 C ATOM 699 CD2 LEU A 45 3.401 -6.400 -9.476 1.00 13.04 C ATOM 0 H LEU A 45 3.933 -2.432 -10.695 1.00 1.00 H new ATOM 0 HA LEU A 45 1.789 -2.832 -8.769 1.00 63.44 H new ATOM 0 HB2 LEU A 45 4.641 -3.799 -8.550 1.00 72.30 H new ATOM 0 HB3 LEU A 45 3.191 -4.518 -7.880 1.00 72.30 H new ATOM 0 HG LEU A 45 2.618 -4.717 -10.523 1.00 14.31 H new ATOM 0 HD11 LEU A 45 4.650 -5.470 -11.696 1.00 43.51 H new ATOM 0 HD12 LEU A 45 4.757 -3.759 -11.220 1.00 43.51 H new ATOM 0 HD13 LEU A 45 5.631 -4.998 -10.288 1.00 43.51 H new ATOM 0 HD21 LEU A 45 3.346 -7.063 -10.339 1.00 13.04 H new ATOM 0 HD22 LEU A 45 4.276 -6.655 -8.878 1.00 13.04 H new ATOM 0 HD23 LEU A 45 2.502 -6.516 -8.871 1.00 13.04 H new ATOM 711 N GLN A 46 2.407 -1.178 -7.054 1.00 32.34 N ATOM 712 CA GLN A 46 2.739 -0.227 -5.999 1.00 74.22 C ATOM 713 C GLN A 46 2.041 -0.597 -4.694 1.00 63.04 C ATOM 714 O GLN A 46 1.128 -1.421 -4.678 1.00 75.23 O ATOM 715 CB GLN A 46 2.344 1.189 -6.419 1.00 1.31 C ATOM 716 CG GLN A 46 2.919 1.608 -7.763 1.00 53.52 C ATOM 717 CD GLN A 46 4.435 1.600 -7.777 1.00 54.33 C ATOM 718 OE1 GLN A 46 5.079 1.854 -6.758 1.00 74.45 O ATOM 719 NE2 GLN A 46 5.015 1.307 -8.936 1.00 14.24 N ATOM 0 H GLN A 46 1.415 -1.407 -7.119 1.00 32.34 H new ATOM 0 HA GLN A 46 3.816 -0.263 -5.836 1.00 74.22 H new ATOM 0 HB2 GLN A 46 1.257 1.256 -6.461 1.00 1.31 H new ATOM 0 HB3 GLN A 46 2.677 1.892 -5.656 1.00 1.31 H new ATOM 0 HG2 GLN A 46 2.549 0.936 -8.538 1.00 53.52 H new ATOM 0 HG3 GLN A 46 2.562 2.608 -8.011 1.00 53.52 H new ATOM 0 HE21 GLN A 46 4.443 1.103 -9.755 1.00 14.24 H new ATOM 0 HE22 GLN A 46 6.032 1.286 -9.006 1.00 14.24 H new ATOM 728 N CYS A 47 2.479 0.019 -3.600 1.00 41.23 N ATOM 729 CA CYS A 47 1.898 -0.245 -2.289 1.00 51.15 C ATOM 730 C CYS A 47 0.808 0.771 -1.963 1.00 41.25 C ATOM 731 O CYS A 47 1.090 1.949 -1.736 1.00 74.04 O ATOM 732 CB CYS A 47 2.983 -0.208 -1.211 1.00 65.23 C ATOM 733 SG CYS A 47 2.450 -0.865 0.402 1.00 63.12 S ATOM 0 H CYS A 47 3.234 0.704 -3.596 1.00 41.23 H new ATOM 0 HA CYS A 47 1.450 -1.238 -2.311 1.00 51.15 H new ATOM 0 HB2 CYS A 47 3.844 -0.779 -1.557 1.00 65.23 H new ATOM 0 HB3 CYS A 47 3.315 0.822 -1.080 1.00 65.23 H new ATOM 738 N ILE A 48 -0.438 0.308 -1.943 1.00 44.31 N ATOM 739 CA ILE A 48 -1.570 1.176 -1.644 1.00 4.52 C ATOM 740 C ILE A 48 -2.050 0.978 -0.210 1.00 34.31 C ATOM 741 O ILE A 48 -2.057 -0.141 0.305 1.00 0.22 O ATOM 742 CB ILE A 48 -2.744 0.922 -2.607 1.00 70.03 C ATOM 743 CG1 ILE A 48 -2.272 1.023 -4.059 1.00 22.14 C ATOM 744 CG2 ILE A 48 -3.870 1.910 -2.340 1.00 75.54 C ATOM 745 CD1 ILE A 48 -1.990 -0.319 -4.697 1.00 44.31 C ATOM 0 H ILE A 48 -0.689 -0.663 -2.130 1.00 44.31 H new ATOM 0 HA ILE A 48 -1.224 2.202 -1.770 1.00 4.52 H new ATOM 0 HB ILE A 48 -3.123 -0.086 -2.438 1.00 70.03 H new ATOM 0 HG12 ILE A 48 -3.031 1.542 -4.644 1.00 22.14 H new ATOM 0 HG13 ILE A 48 -1.369 1.632 -4.097 1.00 22.14 H new ATOM 0 HG21 ILE A 48 -4.693 1.718 -3.028 1.00 75.54 H new ATOM 0 HG22 ILE A 48 -4.220 1.794 -1.314 1.00 75.54 H new ATOM 0 HG23 ILE A 48 -3.504 2.926 -2.486 1.00 75.54 H new ATOM 0 HD11 ILE A 48 -1.660 -0.171 -5.725 1.00 44.31 H new ATOM 0 HD12 ILE A 48 -1.209 -0.832 -4.136 1.00 44.31 H new ATOM 0 HD13 ILE A 48 -2.897 -0.923 -4.691 1.00 44.31 H new ATOM 757 N CYS A 49 -2.455 2.069 0.430 1.00 54.24 N ATOM 758 CA CYS A 49 -2.940 2.016 1.803 1.00 14.52 C ATOM 759 C CYS A 49 -4.405 2.438 1.879 1.00 20.03 C ATOM 760 O CYS A 49 -4.805 3.441 1.289 1.00 10.45 O ATOM 761 CB CYS A 49 -2.092 2.918 2.701 1.00 5.43 C ATOM 762 SG CYS A 49 -0.298 2.768 2.422 1.00 24.22 S ATOM 0 H CYS A 49 -2.457 3.002 0.019 1.00 54.24 H new ATOM 0 HA CYS A 49 -2.857 0.986 2.151 1.00 14.52 H new ATOM 0 HB2 CYS A 49 -2.389 3.955 2.541 1.00 5.43 H new ATOM 0 HB3 CYS A 49 -2.308 2.682 3.743 1.00 5.43 H new ATOM 767 N ASP A 50 -5.200 1.664 2.610 1.00 14.02 N ATOM 768 CA ASP A 50 -6.620 1.957 2.766 1.00 14.52 C ATOM 769 C ASP A 50 -6.964 2.219 4.230 1.00 60.33 C ATOM 770 O ASP A 50 -6.690 1.392 5.099 1.00 30.34 O ATOM 771 CB ASP A 50 -7.463 0.799 2.231 1.00 15.03 C ATOM 772 CG ASP A 50 -8.923 1.173 2.064 1.00 50.11 C ATOM 773 OD1 ASP A 50 -9.262 2.352 2.299 1.00 73.31 O ATOM 774 OD2 ASP A 50 -9.725 0.288 1.699 1.00 3.45 O ATOM 0 H ASP A 50 -4.885 0.829 3.104 1.00 14.02 H new ATOM 0 HA ASP A 50 -6.845 2.856 2.192 1.00 14.52 H new ATOM 0 HB2 ASP A 50 -7.062 0.475 1.271 1.00 15.03 H new ATOM 0 HB3 ASP A 50 -7.384 -0.049 2.912 1.00 15.03 H new ATOM 779 N TYR A 51 -7.563 3.374 4.493 1.00 55.31 N ATOM 780 CA TYR A 51 -7.941 3.748 5.851 1.00 30.22 C ATOM 781 C TYR A 51 -9.438 4.027 5.942 1.00 15.20 C ATOM 782 O TYR A 51 -9.938 4.993 5.364 1.00 32.53 O ATOM 783 CB TYR A 51 -7.152 4.978 6.303 1.00 73.11 C ATOM 784 CG TYR A 51 -7.399 5.358 7.745 1.00 42.54 C ATOM 785 CD1 TYR A 51 -7.470 4.388 8.737 1.00 15.12 C ATOM 786 CD2 TYR A 51 -7.560 6.688 8.116 1.00 70.40 C ATOM 787 CE1 TYR A 51 -7.696 4.732 10.056 1.00 24.43 C ATOM 788 CE2 TYR A 51 -7.784 7.039 9.433 1.00 41.44 C ATOM 789 CZ TYR A 51 -7.851 6.058 10.399 1.00 3.54 C ATOM 790 OH TYR A 51 -8.075 6.405 11.712 1.00 72.31 O ATOM 0 H TYR A 51 -7.798 4.068 3.784 1.00 55.31 H new ATOM 0 HA TYR A 51 -7.705 2.912 6.510 1.00 30.22 H new ATOM 0 HB2 TYR A 51 -6.088 4.788 6.163 1.00 73.11 H new ATOM 0 HB3 TYR A 51 -7.412 5.822 5.664 1.00 73.11 H new ATOM 0 HD1 TYR A 51 -7.347 3.348 8.473 1.00 15.12 H new ATOM 0 HD2 TYR A 51 -7.509 7.460 7.362 1.00 70.40 H new ATOM 0 HE1 TYR A 51 -7.751 3.965 10.815 1.00 24.43 H new ATOM 0 HE2 TYR A 51 -7.906 8.077 9.705 1.00 41.44 H new ATOM 0 HH TYR A 51 -8.161 7.379 11.783 1.00 72.31 H new ATOM 800 N CYS A 52 -10.149 3.175 6.674 1.00 41.22 N ATOM 801 CA CYS A 52 -11.589 3.329 6.843 1.00 13.12 C ATOM 802 C CYS A 52 -11.945 3.531 8.314 1.00 41.22 C ATOM 803 O CYS A 52 -11.409 2.855 9.191 1.00 54.45 O ATOM 804 CB CYS A 52 -12.321 2.103 6.295 1.00 60.23 C ATOM 805 SG CYS A 52 -13.949 2.474 5.566 1.00 60.40 S ATOM 0 H CYS A 52 -9.751 2.371 7.159 1.00 41.22 H new ATOM 0 HA CYS A 52 -11.903 4.212 6.286 1.00 13.12 H new ATOM 0 HB2 CYS A 52 -11.696 1.628 5.539 1.00 60.23 H new ATOM 0 HB3 CYS A 52 -12.452 1.381 7.101 1.00 60.23 H new ATOM 810 N GLU A 53 -12.853 4.467 8.573 1.00 1.12 N ATOM 811 CA GLU A 53 -13.280 4.758 9.936 1.00 15.20 C ATOM 812 C GLU A 53 -14.726 4.325 10.157 1.00 14.45 C ATOM 813 O GLU A 53 -15.660 4.970 9.678 1.00 2.20 O ATOM 814 CB GLU A 53 -13.132 6.253 10.232 1.00 32.25 C ATOM 815 CG GLU A 53 -13.315 6.604 11.699 1.00 32.33 C ATOM 816 CD GLU A 53 -12.817 7.997 12.032 1.00 64.32 C ATOM 817 OE1 GLU A 53 -12.964 8.898 11.181 1.00 53.34 O ATOM 818 OE2 GLU A 53 -12.280 8.186 13.143 1.00 24.35 O ATOM 0 H GLU A 53 -13.306 5.036 7.858 1.00 1.12 H new ATOM 0 HA GLU A 53 -12.642 4.195 10.618 1.00 15.20 H new ATOM 0 HB2 GLU A 53 -12.145 6.583 9.909 1.00 32.25 H new ATOM 0 HB3 GLU A 53 -13.862 6.806 9.641 1.00 32.25 H new ATOM 0 HG2 GLU A 53 -14.371 6.528 11.958 1.00 32.33 H new ATOM 0 HG3 GLU A 53 -12.784 5.876 12.312 1.00 32.33 H new ATOM 825 N TYR A 54 -14.905 3.230 10.888 1.00 71.15 N ATOM 826 CA TYR A 54 -16.237 2.709 11.170 1.00 72.21 C ATOM 827 C TYR A 54 -16.886 3.468 12.323 1.00 53.40 C ATOM 828 O TYR A 54 -17.860 4.195 12.129 1.00 31.24 O ATOM 829 CB TYR A 54 -16.164 1.218 11.505 1.00 44.11 C ATOM 830 CG TYR A 54 -17.433 0.462 11.185 1.00 64.12 C ATOM 831 CD1 TYR A 54 -18.585 0.646 11.940 1.00 2.42 C ATOM 832 CD2 TYR A 54 -17.482 -0.437 10.126 1.00 4.44 C ATOM 833 CE1 TYR A 54 -19.746 -0.043 11.651 1.00 14.42 C ATOM 834 CE2 TYR A 54 -18.639 -1.129 9.829 1.00 15.01 C ATOM 835 CZ TYR A 54 -19.769 -0.929 10.595 1.00 73.44 C ATOM 836 OH TYR A 54 -20.925 -1.617 10.303 1.00 0.34 O ATOM 0 H TYR A 54 -14.144 2.686 11.296 1.00 71.15 H new ATOM 0 HA TYR A 54 -16.849 2.845 10.278 1.00 72.21 H new ATOM 0 HB2 TYR A 54 -15.336 0.771 10.955 1.00 44.11 H new ATOM 0 HB3 TYR A 54 -15.940 1.103 12.566 1.00 44.11 H new ATOM 0 HD1 TYR A 54 -18.572 1.340 12.767 1.00 2.42 H new ATOM 0 HD2 TYR A 54 -16.599 -0.597 9.525 1.00 4.44 H new ATOM 0 HE1 TYR A 54 -20.632 0.111 12.249 1.00 14.42 H new ATOM 0 HE2 TYR A 54 -18.660 -1.823 9.002 1.00 15.01 H new ATOM 0 HH TYR A 54 -20.773 -2.199 9.530 1.00 0.34 H new TER 846 TYR A 54