USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 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 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0381) USER MOD Single : A 31 THR OG1 : rot 83:sc= 1.11 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 164:sc= 1.16 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 150:sc= -0.281 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.4) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= -0.0195 (180deg=-0.239) USER MOD Single : A 56 SER OG : rot 180:sc= -1.02 USER MOD Single : A 59 SER OG : rot 161:sc= 1.83 USER MOD ----------------------------------------------------------------- ATOM 82 N PHE A 7 9.664 -8.951 2.441 1.00 12.34 N ATOM 83 CA PHE A 7 8.548 -8.900 1.501 1.00 72.33 C ATOM 84 C PHE A 7 7.263 -8.470 2.204 1.00 64.42 C ATOM 85 O PHE A 7 7.187 -8.466 3.433 1.00 12.34 O ATOM 86 CB PHE A 7 8.340 -10.263 0.829 1.00 10.32 C ATOM 87 CG PHE A 7 8.842 -11.428 1.637 1.00 63.12 C ATOM 88 CD1 PHE A 7 8.448 -11.595 2.955 1.00 14.34 C ATOM 89 CD2 PHE A 7 9.707 -12.354 1.078 1.00 51.23 C ATOM 90 CE1 PHE A 7 8.907 -12.663 3.701 1.00 1.23 C ATOM 91 CE2 PHE A 7 10.171 -13.426 1.818 1.00 21.01 C ATOM 92 CZ PHE A 7 9.770 -13.580 3.131 1.00 33.20 C ATOM 0 HA PHE A 7 8.793 -8.163 0.736 1.00 72.33 H new ATOM 0 HB2 PHE A 7 7.277 -10.401 0.633 1.00 10.32 H new ATOM 0 HB3 PHE A 7 8.844 -10.261 -0.137 1.00 10.32 H new ATOM 0 HD1 PHE A 7 7.774 -10.881 3.405 1.00 14.34 H new ATOM 0 HD2 PHE A 7 10.023 -12.237 0.052 1.00 51.23 H new ATOM 0 HE1 PHE A 7 8.592 -12.781 4.727 1.00 1.23 H new ATOM 0 HE2 PHE A 7 10.845 -14.141 1.371 1.00 21.01 H new ATOM 0 HZ PHE A 7 10.131 -14.416 3.712 1.00 33.20 H new ATOM 102 N PRO A 8 6.230 -8.104 1.427 1.00 43.45 N ATOM 103 CA PRO A 8 4.944 -7.673 1.968 1.00 73.54 C ATOM 104 C PRO A 8 4.027 -8.853 2.270 1.00 53.23 C ATOM 105 O PRO A 8 4.469 -10.002 2.288 1.00 60.40 O ATOM 106 CB PRO A 8 4.376 -6.834 0.828 1.00 63.11 C ATOM 107 CG PRO A 8 4.885 -7.501 -0.404 1.00 22.45 C ATOM 108 CD PRO A 8 6.233 -8.082 -0.050 1.00 2.34 C ATOM 0 HA PRO A 8 5.040 -7.139 2.914 1.00 73.54 H new ATOM 0 HB2 PRO A 8 3.286 -6.817 0.851 1.00 63.11 H new ATOM 0 HB3 PRO A 8 4.713 -5.799 0.889 1.00 63.11 H new ATOM 0 HG2 PRO A 8 4.200 -8.282 -0.734 1.00 22.45 H new ATOM 0 HG3 PRO A 8 4.973 -6.788 -1.223 1.00 22.45 H new ATOM 0 HD2 PRO A 8 6.359 -9.082 -0.465 1.00 2.34 H new ATOM 0 HD3 PRO A 8 7.047 -7.471 -0.439 1.00 2.34 H new ATOM 116 N CYS A 9 2.751 -8.567 2.498 1.00 73.50 N ATOM 117 CA CYS A 9 1.783 -9.616 2.788 1.00 71.31 C ATOM 118 C CYS A 9 0.909 -9.898 1.570 1.00 50.22 C ATOM 119 O CYS A 9 0.416 -11.010 1.396 1.00 63.45 O ATOM 120 CB CYS A 9 0.909 -9.234 3.990 1.00 35.35 C ATOM 121 SG CYS A 9 -0.284 -7.891 3.673 1.00 61.45 S ATOM 0 H CYS A 9 2.365 -7.623 2.488 1.00 73.50 H new ATOM 0 HA CYS A 9 2.335 -10.522 3.036 1.00 71.31 H new ATOM 0 HB2 CYS A 9 0.361 -10.117 4.318 1.00 35.35 H new ATOM 0 HB3 CYS A 9 1.558 -8.937 4.814 1.00 35.35 H new ATOM 126 N TRP A 10 0.720 -8.885 0.728 1.00 35.33 N ATOM 127 CA TRP A 10 -0.097 -9.031 -0.468 1.00 21.04 C ATOM 128 C TRP A 10 0.590 -9.917 -1.500 1.00 44.23 C ATOM 129 O TRP A 10 -0.065 -10.499 -2.365 1.00 71.43 O ATOM 130 CB TRP A 10 -0.404 -7.660 -1.071 1.00 52.13 C ATOM 131 CG TRP A 10 0.804 -6.793 -1.257 1.00 25.45 C ATOM 132 CD1 TRP A 10 1.337 -5.916 -0.356 1.00 32.30 C ATOM 133 CD2 TRP A 10 1.623 -6.714 -2.426 1.00 64.51 C ATOM 134 NE1 TRP A 10 2.438 -5.296 -0.897 1.00 32.22 N ATOM 135 CE2 TRP A 10 2.634 -5.771 -2.167 1.00 35.24 C ATOM 136 CE3 TRP A 10 1.596 -7.352 -3.664 1.00 40.54 C ATOM 137 CZ2 TRP A 10 3.611 -5.451 -3.107 1.00 5.42 C ATOM 138 CZ3 TRP A 10 2.565 -7.036 -4.599 1.00 23.13 C ATOM 139 CH2 TRP A 10 3.561 -6.093 -4.315 1.00 22.11 C ATOM 0 H TRP A 10 1.122 -7.956 0.854 1.00 35.33 H new ATOM 0 HA TRP A 10 -1.033 -9.510 -0.180 1.00 21.04 H new ATOM 0 HB2 TRP A 10 -0.891 -7.800 -2.036 1.00 52.13 H new ATOM 0 HB3 TRP A 10 -1.115 -7.142 -0.427 1.00 52.13 H new ATOM 0 HD1 TRP A 10 0.950 -5.736 0.636 1.00 32.30 H new ATOM 0 HE1 TRP A 10 3.015 -4.597 -0.429 1.00 32.22 H new ATOM 0 HE3 TRP A 10 0.832 -8.081 -3.890 1.00 40.54 H new ATOM 0 HZ2 TRP A 10 4.379 -4.723 -2.891 1.00 5.42 H new ATOM 0 HZ3 TRP A 10 2.553 -7.524 -5.563 1.00 23.13 H new ATOM 0 HH2 TRP A 10 4.305 -5.868 -5.065 1.00 22.11 H new ATOM 150 N LEU A 11 1.910 -10.019 -1.405 1.00 50.21 N ATOM 151 CA LEU A 11 2.677 -10.838 -2.334 1.00 53.45 C ATOM 152 C LEU A 11 2.557 -12.321 -1.989 1.00 25.11 C ATOM 153 O LEU A 11 2.843 -13.184 -2.818 1.00 5.44 O ATOM 154 CB LEU A 11 4.145 -10.410 -2.327 1.00 42.15 C ATOM 155 CG LEU A 11 4.465 -9.210 -3.219 1.00 3.45 C ATOM 156 CD1 LEU A 11 5.917 -8.783 -3.047 1.00 40.54 C ATOM 157 CD2 LEU A 11 4.172 -9.541 -4.675 1.00 3.13 C ATOM 0 H LEU A 11 2.470 -9.546 -0.696 1.00 50.21 H new ATOM 0 HA LEU A 11 2.268 -10.690 -3.334 1.00 53.45 H new ATOM 0 HB2 LEU A 11 4.435 -10.172 -1.304 1.00 42.15 H new ATOM 0 HB3 LEU A 11 4.757 -11.254 -2.644 1.00 42.15 H new ATOM 0 HG LEU A 11 3.829 -8.377 -2.918 1.00 3.45 H new ATOM 0 HD11 LEU A 11 6.123 -7.928 -3.691 1.00 40.54 H new ATOM 0 HD12 LEU A 11 6.094 -8.506 -2.008 1.00 40.54 H new ATOM 0 HD13 LEU A 11 6.574 -9.609 -3.319 1.00 40.54 H new ATOM 0 HD21 LEU A 11 4.404 -8.678 -5.298 1.00 3.13 H new ATOM 0 HD22 LEU A 11 4.784 -10.388 -4.986 1.00 3.13 H new ATOM 0 HD23 LEU A 11 3.118 -9.795 -4.785 1.00 3.13 H new ATOM 169 N VAL A 12 2.129 -12.612 -0.763 1.00 72.05 N ATOM 170 CA VAL A 12 1.969 -13.992 -0.316 1.00 61.41 C ATOM 171 C VAL A 12 0.582 -14.235 0.285 1.00 70.23 C ATOM 172 O VAL A 12 0.282 -15.340 0.737 1.00 21.03 O ATOM 173 CB VAL A 12 3.046 -14.369 0.722 1.00 12.31 C ATOM 174 CG1 VAL A 12 2.916 -13.509 1.969 1.00 64.41 C ATOM 175 CG2 VAL A 12 2.958 -15.847 1.072 1.00 31.11 C ATOM 0 H VAL A 12 1.887 -11.911 -0.063 1.00 72.05 H new ATOM 0 HA VAL A 12 2.083 -14.622 -1.198 1.00 61.41 H new ATOM 0 HB VAL A 12 4.026 -14.181 0.283 1.00 12.31 H new ATOM 0 HG11 VAL A 12 3.685 -13.792 2.688 1.00 64.41 H new ATOM 0 HG12 VAL A 12 3.038 -12.459 1.701 1.00 64.41 H new ATOM 0 HG13 VAL A 12 1.932 -13.659 2.413 1.00 64.41 H new ATOM 0 HG21 VAL A 12 3.726 -16.094 1.805 1.00 31.11 H new ATOM 0 HG22 VAL A 12 1.975 -16.064 1.489 1.00 31.11 H new ATOM 0 HG23 VAL A 12 3.111 -16.444 0.173 1.00 31.11 H new ATOM 185 N GLU A 13 -0.262 -13.203 0.285 1.00 30.51 N ATOM 186 CA GLU A 13 -1.613 -13.318 0.829 1.00 62.23 C ATOM 187 C GLU A 13 -2.610 -12.542 -0.025 1.00 71.05 C ATOM 188 O GLU A 13 -2.236 -11.906 -1.010 1.00 13.44 O ATOM 189 CB GLU A 13 -1.666 -12.792 2.268 1.00 35.34 C ATOM 190 CG GLU A 13 -0.719 -13.499 3.224 1.00 12.21 C ATOM 191 CD GLU A 13 0.074 -12.535 4.084 1.00 22.13 C ATOM 192 OE1 GLU A 13 -0.494 -12.014 5.066 1.00 73.11 O ATOM 193 OE2 GLU A 13 1.261 -12.304 3.777 1.00 73.20 O ATOM 0 H GLU A 13 -0.034 -12.280 -0.085 1.00 30.51 H new ATOM 0 HA GLU A 13 -1.881 -14.374 0.822 1.00 62.23 H new ATOM 0 HB2 GLU A 13 -1.432 -11.727 2.263 1.00 35.34 H new ATOM 0 HB3 GLU A 13 -2.685 -12.892 2.643 1.00 35.34 H new ATOM 0 HG2 GLU A 13 -1.291 -14.167 3.868 1.00 12.21 H new ATOM 0 HG3 GLU A 13 -0.030 -14.120 2.652 1.00 12.21 H new ATOM 200 N GLU A 14 -3.878 -12.589 0.371 1.00 64.30 N ATOM 201 CA GLU A 14 -4.930 -11.878 -0.347 1.00 13.44 C ATOM 202 C GLU A 14 -5.178 -10.521 0.301 1.00 41.45 C ATOM 203 O GLU A 14 -5.557 -10.442 1.469 1.00 52.02 O ATOM 204 CB GLU A 14 -6.226 -12.690 -0.358 1.00 52.51 C ATOM 205 CG GLU A 14 -6.011 -14.194 -0.396 1.00 60.12 C ATOM 206 CD GLU A 14 -7.269 -14.954 -0.771 1.00 4.11 C ATOM 207 OE1 GLU A 14 -8.072 -14.419 -1.565 1.00 13.01 O ATOM 208 OE2 GLU A 14 -7.451 -16.084 -0.271 1.00 61.43 O ATOM 0 H GLU A 14 -4.202 -13.112 1.185 1.00 64.30 H new ATOM 0 HA GLU A 14 -4.603 -11.733 -1.377 1.00 13.44 H new ATOM 0 HB2 GLU A 14 -6.808 -12.439 0.529 1.00 52.51 H new ATOM 0 HB3 GLU A 14 -6.820 -12.396 -1.223 1.00 52.51 H new ATOM 0 HG2 GLU A 14 -5.223 -14.427 -1.113 1.00 60.12 H new ATOM 0 HG3 GLU A 14 -5.664 -14.532 0.580 1.00 60.12 H new ATOM 215 N PHE A 15 -4.949 -9.457 -0.457 1.00 62.02 N ATOM 216 CA PHE A 15 -5.136 -8.105 0.055 1.00 62.31 C ATOM 217 C PHE A 15 -6.444 -7.496 -0.433 1.00 64.22 C ATOM 218 O PHE A 15 -6.993 -7.905 -1.455 1.00 62.13 O ATOM 219 CB PHE A 15 -3.958 -7.216 -0.353 1.00 15.21 C ATOM 220 CG PHE A 15 -3.964 -6.827 -1.805 1.00 71.32 C ATOM 221 CD1 PHE A 15 -4.680 -5.721 -2.236 1.00 11.34 C ATOM 222 CD2 PHE A 15 -3.253 -7.565 -2.738 1.00 73.42 C ATOM 223 CE1 PHE A 15 -4.686 -5.359 -3.568 1.00 35.01 C ATOM 224 CE2 PHE A 15 -3.257 -7.208 -4.072 1.00 0.35 C ATOM 225 CZ PHE A 15 -3.974 -6.103 -4.487 1.00 31.13 C ATOM 0 H PHE A 15 -4.634 -9.503 -1.426 1.00 62.02 H new ATOM 0 HA PHE A 15 -5.181 -8.166 1.142 1.00 62.31 H new ATOM 0 HB2 PHE A 15 -3.970 -6.312 0.256 1.00 15.21 H new ATOM 0 HB3 PHE A 15 -3.027 -7.738 -0.130 1.00 15.21 H new ATOM 0 HD1 PHE A 15 -5.240 -5.136 -1.521 1.00 11.34 H new ATOM 0 HD2 PHE A 15 -2.689 -8.429 -2.418 1.00 73.42 H new ATOM 0 HE1 PHE A 15 -5.247 -4.495 -3.891 1.00 35.01 H new ATOM 0 HE2 PHE A 15 -2.700 -7.792 -4.790 1.00 0.35 H new ATOM 0 HZ PHE A 15 -3.978 -5.821 -5.530 1.00 31.13 H new ATOM 235 N VAL A 16 -6.932 -6.511 0.311 1.00 2.41 N ATOM 236 CA VAL A 16 -8.171 -5.831 -0.034 1.00 31.43 C ATOM 237 C VAL A 16 -8.008 -4.319 0.075 1.00 22.11 C ATOM 238 O VAL A 16 -7.749 -3.791 1.156 1.00 75.14 O ATOM 239 CB VAL A 16 -9.334 -6.277 0.872 1.00 42.12 C ATOM 240 CG1 VAL A 16 -9.854 -7.640 0.443 1.00 43.11 C ATOM 241 CG2 VAL A 16 -8.899 -6.298 2.330 1.00 44.24 C ATOM 0 H VAL A 16 -6.485 -6.165 1.160 1.00 2.41 H new ATOM 0 HA VAL A 16 -8.405 -6.101 -1.064 1.00 31.43 H new ATOM 0 HB VAL A 16 -10.146 -5.556 0.770 1.00 42.12 H new ATOM 0 HG11 VAL A 16 -10.675 -7.938 1.095 1.00 43.11 H new ATOM 0 HG12 VAL A 16 -10.209 -7.587 -0.586 1.00 43.11 H new ATOM 0 HG13 VAL A 16 -9.051 -8.374 0.512 1.00 43.11 H new ATOM 0 HG21 VAL A 16 -9.734 -6.616 2.954 1.00 44.24 H new ATOM 0 HG22 VAL A 16 -8.069 -6.994 2.452 1.00 44.24 H new ATOM 0 HG23 VAL A 16 -8.581 -5.299 2.629 1.00 44.24 H new ATOM 251 N VAL A 17 -8.157 -3.628 -1.050 1.00 45.11 N ATOM 252 CA VAL A 17 -8.022 -2.176 -1.077 1.00 30.33 C ATOM 253 C VAL A 17 -9.023 -1.515 -0.135 1.00 63.52 C ATOM 254 O VAL A 17 -10.165 -1.253 -0.512 1.00 3.11 O ATOM 255 CB VAL A 17 -8.224 -1.616 -2.498 1.00 32.22 C ATOM 256 CG1 VAL A 17 -7.934 -0.122 -2.531 1.00 52.00 C ATOM 257 CG2 VAL A 17 -7.347 -2.359 -3.496 1.00 3.11 C ATOM 0 H VAL A 17 -8.371 -4.049 -1.954 1.00 45.11 H new ATOM 0 HA VAL A 17 -7.009 -1.947 -0.747 1.00 30.33 H new ATOM 0 HB VAL A 17 -9.265 -1.767 -2.782 1.00 32.22 H new ATOM 0 HG11 VAL A 17 -8.082 0.255 -3.543 1.00 52.00 H new ATOM 0 HG12 VAL A 17 -8.609 0.395 -1.849 1.00 52.00 H new ATOM 0 HG13 VAL A 17 -6.903 0.055 -2.225 1.00 52.00 H new ATOM 0 HG21 VAL A 17 -7.504 -1.949 -4.494 1.00 3.11 H new ATOM 0 HG22 VAL A 17 -6.300 -2.244 -3.217 1.00 3.11 H new ATOM 0 HG23 VAL A 17 -7.609 -3.417 -3.493 1.00 3.11 H new ATOM 267 N ALA A 18 -8.585 -1.244 1.091 1.00 24.25 N ATOM 268 CA ALA A 18 -9.443 -0.608 2.084 1.00 24.50 C ATOM 269 C ALA A 18 -9.343 0.909 1.989 1.00 10.51 C ATOM 270 O ALA A 18 -10.287 1.627 2.318 1.00 72.45 O ATOM 271 CB ALA A 18 -9.073 -1.080 3.481 1.00 51.34 C ATOM 0 H ALA A 18 -7.643 -1.455 1.420 1.00 24.25 H new ATOM 0 HA ALA A 18 -10.475 -0.895 1.882 1.00 24.50 H new ATOM 0 HB1 ALA A 18 -9.722 -0.597 4.212 1.00 51.34 H new ATOM 0 HB2 ALA A 18 -9.197 -2.161 3.544 1.00 51.34 H new ATOM 0 HB3 ALA A 18 -8.035 -0.821 3.690 1.00 51.34 H new ATOM 277 N GLU A 19 -8.189 1.388 1.537 1.00 44.14 N ATOM 278 CA GLU A 19 -7.954 2.818 1.393 1.00 31.20 C ATOM 279 C GLU A 19 -7.223 3.112 0.089 1.00 13.33 C ATOM 280 O GLU A 19 -6.093 2.669 -0.109 1.00 51.44 O ATOM 281 CB GLU A 19 -7.131 3.339 2.573 1.00 2.32 C ATOM 282 CG GLU A 19 -7.662 2.901 3.929 1.00 73.04 C ATOM 283 CD GLU A 19 -7.760 4.047 4.917 1.00 2.05 C ATOM 284 OE1 GLU A 19 -8.082 5.175 4.488 1.00 60.55 O ATOM 285 OE2 GLU A 19 -7.514 3.816 6.120 1.00 12.41 O ATOM 0 H GLU A 19 -7.399 0.803 1.263 1.00 44.14 H new ATOM 0 HA GLU A 19 -8.919 3.324 1.377 1.00 31.20 H new ATOM 0 HB2 GLU A 19 -6.102 2.995 2.467 1.00 2.32 H new ATOM 0 HB3 GLU A 19 -7.108 4.428 2.536 1.00 2.32 H new ATOM 0 HG2 GLU A 19 -8.647 2.452 3.801 1.00 73.04 H new ATOM 0 HG3 GLU A 19 -7.010 2.129 4.338 1.00 73.04 H new ATOM 292 N GLU A 20 -7.869 3.864 -0.801 1.00 40.43 N ATOM 293 CA GLU A 20 -7.262 4.211 -2.085 1.00 21.44 C ATOM 294 C GLU A 20 -5.847 4.736 -1.885 1.00 4.42 C ATOM 295 O GLU A 20 -5.420 4.980 -0.756 1.00 22.04 O ATOM 296 CB GLU A 20 -8.103 5.255 -2.823 1.00 70.02 C ATOM 297 CG GLU A 20 -8.757 6.278 -1.909 1.00 42.32 C ATOM 298 CD GLU A 20 -8.849 7.652 -2.542 1.00 42.34 C ATOM 299 OE1 GLU A 20 -9.292 7.741 -3.707 1.00 12.54 O ATOM 300 OE2 GLU A 20 -8.477 8.641 -1.875 1.00 64.14 O ATOM 0 H GLU A 20 -8.806 4.242 -0.658 1.00 40.43 H new ATOM 0 HA GLU A 20 -7.221 3.305 -2.690 1.00 21.44 H new ATOM 0 HB2 GLU A 20 -7.469 5.776 -3.541 1.00 70.02 H new ATOM 0 HB3 GLU A 20 -8.878 4.745 -3.394 1.00 70.02 H new ATOM 0 HG2 GLU A 20 -9.758 5.936 -1.645 1.00 42.32 H new ATOM 0 HG3 GLU A 20 -8.189 6.347 -0.982 1.00 42.32 H new ATOM 307 N CYS A 21 -5.117 4.902 -2.980 1.00 30.53 N ATOM 308 CA CYS A 21 -3.751 5.388 -2.896 1.00 64.42 C ATOM 309 C CYS A 21 -3.689 6.898 -3.088 1.00 40.01 C ATOM 310 O CYS A 21 -4.392 7.460 -3.928 1.00 62.45 O ATOM 311 CB CYS A 21 -2.858 4.678 -3.912 1.00 45.44 C ATOM 312 SG CYS A 21 -3.281 4.995 -5.653 1.00 71.30 S ATOM 0 H CYS A 21 -5.445 4.709 -3.926 1.00 30.53 H new ATOM 0 HA CYS A 21 -3.380 5.162 -1.896 1.00 64.42 H new ATOM 0 HB2 CYS A 21 -1.825 4.983 -3.742 1.00 45.44 H new ATOM 0 HB3 CYS A 21 -2.907 3.604 -3.730 1.00 45.44 H new ATOM 317 N SER A 22 -2.847 7.546 -2.291 1.00 65.32 N ATOM 318 CA SER A 22 -2.691 8.996 -2.353 1.00 10.12 C ATOM 319 C SER A 22 -1.217 9.387 -2.449 1.00 65.14 C ATOM 320 O SER A 22 -0.333 8.574 -2.181 1.00 32.50 O ATOM 321 CB SER A 22 -3.327 9.650 -1.122 1.00 25.22 C ATOM 322 OG SER A 22 -4.077 8.710 -0.371 1.00 65.11 O ATOM 0 H SER A 22 -2.260 7.090 -1.593 1.00 65.32 H new ATOM 0 HA SER A 22 -3.198 9.352 -3.250 1.00 10.12 H new ATOM 0 HB2 SER A 22 -2.548 10.083 -0.494 1.00 25.22 H new ATOM 0 HB3 SER A 22 -3.975 10.468 -1.436 1.00 25.22 H new ATOM 0 HG SER A 22 -4.470 9.154 0.409 1.00 65.11 H new ATOM 328 N PRO A 23 -0.935 10.646 -2.835 1.00 12.03 N ATOM 329 CA PRO A 23 0.433 11.151 -2.971 1.00 21.13 C ATOM 330 C PRO A 23 1.308 10.810 -1.770 1.00 45.21 C ATOM 331 O PRO A 23 0.807 10.490 -0.692 1.00 51.53 O ATOM 332 CB PRO A 23 0.257 12.675 -3.095 1.00 35.35 C ATOM 333 CG PRO A 23 -1.188 12.943 -2.821 1.00 55.13 C ATOM 334 CD PRO A 23 -1.920 11.680 -3.166 1.00 54.30 C ATOM 0 HA PRO A 23 0.939 10.701 -3.825 1.00 21.13 H new ATOM 0 HB2 PRO A 23 0.894 13.201 -2.384 1.00 35.35 H new ATOM 0 HB3 PRO A 23 0.537 13.021 -4.090 1.00 35.35 H new ATOM 0 HG2 PRO A 23 -1.343 13.210 -1.776 1.00 55.13 H new ATOM 0 HG3 PRO A 23 -1.549 13.779 -3.420 1.00 55.13 H new ATOM 0 HD2 PRO A 23 -2.836 11.570 -2.585 1.00 54.30 H new ATOM 0 HD3 PRO A 23 -2.204 11.649 -4.218 1.00 54.30 H new ATOM 342 N CYS A 24 2.619 10.880 -1.969 1.00 64.21 N ATOM 343 CA CYS A 24 3.576 10.578 -0.911 1.00 41.12 C ATOM 344 C CYS A 24 4.307 11.838 -0.462 1.00 42.30 C ATOM 345 O CYS A 24 4.941 12.520 -1.267 1.00 75.22 O ATOM 346 CB CYS A 24 4.583 9.538 -1.400 1.00 22.43 C ATOM 347 SG CYS A 24 3.874 7.880 -1.658 1.00 62.54 S ATOM 0 H CYS A 24 3.045 11.144 -2.857 1.00 64.21 H new ATOM 0 HA CYS A 24 3.028 10.177 -0.058 1.00 41.12 H new ATOM 0 HB2 CYS A 24 5.021 9.884 -2.336 1.00 22.43 H new ATOM 0 HB3 CYS A 24 5.395 9.466 -0.676 1.00 22.43 H new ATOM 352 N SER A 25 4.217 12.141 0.827 1.00 62.44 N ATOM 353 CA SER A 25 4.872 13.316 1.386 1.00 2.22 C ATOM 354 C SER A 25 6.387 13.215 1.234 1.00 70.25 C ATOM 355 O SER A 25 6.896 12.292 0.599 1.00 14.45 O ATOM 356 CB SER A 25 4.503 13.478 2.862 1.00 74.44 C ATOM 357 OG SER A 25 3.452 14.414 3.026 1.00 60.02 O ATOM 0 H SER A 25 3.695 11.587 1.506 1.00 62.44 H new ATOM 0 HA SER A 25 4.527 14.192 0.836 1.00 2.22 H new ATOM 0 HB2 SER A 25 4.203 12.514 3.273 1.00 74.44 H new ATOM 0 HB3 SER A 25 5.377 13.806 3.425 1.00 74.44 H new ATOM 0 HG SER A 25 3.234 14.498 3.978 1.00 60.02 H new ATOM 363 N ASN A 26 7.101 14.171 1.819 1.00 2.45 N ATOM 364 CA ASN A 26 8.557 14.189 1.747 1.00 61.34 C ATOM 365 C ASN A 26 9.152 12.921 2.356 1.00 52.52 C ATOM 366 O ASN A 26 10.230 12.478 1.960 1.00 3.14 O ATOM 367 CB ASN A 26 9.109 15.420 2.467 1.00 2.43 C ATOM 368 CG ASN A 26 8.800 16.709 1.729 1.00 24.53 C ATOM 369 OD1 ASN A 26 7.656 17.165 1.706 1.00 4.30 O ATOM 370 ND2 ASN A 26 9.820 17.301 1.119 1.00 71.53 N ATOM 0 H ASN A 26 6.695 14.943 2.348 1.00 2.45 H new ATOM 0 HA ASN A 26 8.841 14.232 0.696 1.00 61.34 H new ATOM 0 HB2 ASN A 26 8.688 15.470 3.471 1.00 2.43 H new ATOM 0 HB3 ASN A 26 10.188 15.318 2.579 1.00 2.43 H new ATOM 0 HD21 ASN A 26 9.672 18.169 0.605 1.00 71.53 H new ATOM 0 HD22 ASN A 26 10.751 16.887 1.165 1.00 71.53 H new ATOM 377 N PHE A 27 8.445 12.345 3.322 1.00 41.14 N ATOM 378 CA PHE A 27 8.906 11.130 3.986 1.00 41.32 C ATOM 379 C PHE A 27 8.407 9.885 3.258 1.00 71.23 C ATOM 380 O PHE A 27 9.138 8.905 3.115 1.00 42.14 O ATOM 381 CB PHE A 27 8.433 11.109 5.441 1.00 24.41 C ATOM 382 CG PHE A 27 9.460 11.614 6.413 1.00 14.35 C ATOM 383 CD1 PHE A 27 10.615 10.890 6.660 1.00 4.42 C ATOM 384 CD2 PHE A 27 9.271 12.815 7.080 1.00 64.20 C ATOM 385 CE1 PHE A 27 11.562 11.353 7.554 1.00 72.30 C ATOM 386 CE2 PHE A 27 10.215 13.282 7.974 1.00 5.30 C ATOM 387 CZ PHE A 27 11.362 12.551 8.212 1.00 64.12 C ATOM 0 H PHE A 27 7.551 12.699 3.663 1.00 41.14 H new ATOM 0 HA PHE A 27 9.996 11.127 3.964 1.00 41.32 H new ATOM 0 HB2 PHE A 27 7.531 11.715 5.530 1.00 24.41 H new ATOM 0 HB3 PHE A 27 8.160 10.089 5.711 1.00 24.41 H new ATOM 0 HD1 PHE A 27 10.777 9.953 6.148 1.00 4.42 H new ATOM 0 HD2 PHE A 27 8.376 13.392 6.899 1.00 64.20 H new ATOM 0 HE1 PHE A 27 12.458 10.778 7.738 1.00 72.30 H new ATOM 0 HE2 PHE A 27 10.056 14.219 8.487 1.00 5.30 H new ATOM 0 HZ PHE A 27 12.101 12.915 8.911 1.00 64.12 H new ATOM 397 N ARG A 28 7.161 9.932 2.800 1.00 22.22 N ATOM 398 CA ARG A 28 6.565 8.806 2.088 1.00 53.32 C ATOM 399 C ARG A 28 7.371 8.458 0.841 1.00 23.30 C ATOM 400 O ARG A 28 7.731 7.302 0.623 1.00 30.43 O ATOM 401 CB ARG A 28 5.123 9.129 1.696 1.00 15.32 C ATOM 402 CG ARG A 28 4.186 9.290 2.878 1.00 53.34 C ATOM 403 CD ARG A 28 3.661 7.948 3.361 1.00 33.12 C ATOM 404 NE ARG A 28 4.502 7.377 4.411 1.00 10.41 N ATOM 405 CZ ARG A 28 4.658 7.922 5.615 1.00 5.44 C ATOM 406 NH1 ARG A 28 4.032 9.051 5.926 1.00 3.24 N ATOM 407 NH2 ARG A 28 5.441 7.337 6.510 1.00 51.31 N ATOM 0 H ARG A 28 6.544 10.737 2.909 1.00 22.22 H new ATOM 0 HA ARG A 28 6.572 7.945 2.757 1.00 53.32 H new ATOM 0 HB2 ARG A 28 5.113 10.048 1.110 1.00 15.32 H new ATOM 0 HB3 ARG A 28 4.746 8.335 1.051 1.00 15.32 H new ATOM 0 HG2 ARG A 28 4.709 9.791 3.692 1.00 53.34 H new ATOM 0 HG3 ARG A 28 3.349 9.929 2.596 1.00 53.34 H new ATOM 0 HD2 ARG A 28 2.645 8.070 3.736 1.00 33.12 H new ATOM 0 HD3 ARG A 28 3.609 7.255 2.521 1.00 33.12 H new ATOM 0 HE ARG A 28 4.999 6.509 4.209 1.00 10.41 H new ATOM 0 HH11 ARG A 28 3.428 9.505 5.241 1.00 3.24 H new ATOM 0 HH12 ARG A 28 4.155 9.464 6.850 1.00 3.24 H new ATOM 0 HH21 ARG A 28 5.924 6.469 6.276 1.00 51.31 H new ATOM 0 HH22 ARG A 28 5.561 7.754 7.433 1.00 51.31 H new ATOM 421 N ALA A 29 7.648 9.467 0.021 1.00 64.15 N ATOM 422 CA ALA A 29 8.408 9.268 -1.209 1.00 43.54 C ATOM 423 C ALA A 29 9.762 8.620 -0.932 1.00 41.43 C ATOM 424 O ALA A 29 10.349 7.991 -1.813 1.00 0.32 O ATOM 425 CB ALA A 29 8.596 10.594 -1.929 1.00 22.10 C ATOM 0 H ALA A 29 7.358 10.431 0.186 1.00 64.15 H new ATOM 0 HA ALA A 29 7.840 8.591 -1.847 1.00 43.54 H new ATOM 0 HB1 ALA A 29 9.164 10.433 -2.845 1.00 22.10 H new ATOM 0 HB2 ALA A 29 7.622 11.015 -2.176 1.00 22.10 H new ATOM 0 HB3 ALA A 29 9.137 11.285 -1.283 1.00 22.10 H new ATOM 431 N LYS A 30 10.258 8.778 0.292 1.00 63.32 N ATOM 432 CA LYS A 30 11.545 8.208 0.673 1.00 21.21 C ATOM 433 C LYS A 30 11.373 6.822 1.288 1.00 71.31 C ATOM 434 O LYS A 30 11.860 5.828 0.748 1.00 20.25 O ATOM 435 CB LYS A 30 12.262 9.131 1.660 1.00 54.31 C ATOM 436 CG LYS A 30 12.655 10.472 1.065 1.00 43.22 C ATOM 437 CD LYS A 30 13.790 11.117 1.843 1.00 73.04 C ATOM 438 CE LYS A 30 14.555 12.116 0.991 1.00 54.22 C ATOM 439 NZ LYS A 30 13.678 13.218 0.506 1.00 13.54 N ATOM 0 H LYS A 30 9.789 9.295 1.035 1.00 63.32 H new ATOM 0 HA LYS A 30 12.149 8.109 -0.229 1.00 21.21 H new ATOM 0 HB2 LYS A 30 11.615 9.301 2.521 1.00 54.31 H new ATOM 0 HB3 LYS A 30 13.157 8.630 2.028 1.00 54.31 H new ATOM 0 HG2 LYS A 30 12.956 10.336 0.026 1.00 43.22 H new ATOM 0 HG3 LYS A 30 11.791 11.137 1.062 1.00 43.22 H new ATOM 0 HD2 LYS A 30 13.389 11.620 2.723 1.00 73.04 H new ATOM 0 HD3 LYS A 30 14.472 10.345 2.200 1.00 73.04 H new ATOM 0 HE2 LYS A 30 15.377 12.535 1.572 1.00 54.22 H new ATOM 0 HE3 LYS A 30 14.998 11.602 0.138 1.00 54.22 H new ATOM 0 HZ1 LYS A 30 14.255 13.931 0.015 1.00 13.54 H new ATOM 0 HZ2 LYS A 30 12.969 12.834 -0.151 1.00 13.54 H new ATOM 0 HZ3 LYS A 30 13.196 13.660 1.315 1.00 13.54 H new ATOM 453 N THR A 31 10.683 6.764 2.422 1.00 61.53 N ATOM 454 CA THR A 31 10.451 5.500 3.113 1.00 13.24 C ATOM 455 C THR A 31 9.650 4.536 2.243 1.00 42.45 C ATOM 456 O THR A 31 10.057 3.396 2.026 1.00 34.10 O ATOM 457 CB THR A 31 9.718 5.745 4.432 1.00 11.02 C ATOM 458 OG1 THR A 31 9.934 7.068 4.888 1.00 32.44 O ATOM 459 CG2 THR A 31 10.144 4.803 5.537 1.00 22.32 C ATOM 0 H THR A 31 10.274 7.577 2.882 1.00 61.53 H new ATOM 0 HA THR A 31 11.421 5.047 3.321 1.00 13.24 H new ATOM 0 HB THR A 31 8.665 5.570 4.214 1.00 11.02 H new ATOM 0 HG1 THR A 31 9.307 7.674 4.441 1.00 32.44 H new ATOM 0 HG21 THR A 31 9.586 5.031 6.445 1.00 22.32 H new ATOM 0 HG22 THR A 31 9.943 3.775 5.236 1.00 22.32 H new ATOM 0 HG23 THR A 31 11.210 4.924 5.727 1.00 22.32 H new ATOM 467 N THR A 32 8.506 5.001 1.753 1.00 45.15 N ATOM 468 CA THR A 32 7.643 4.181 0.911 1.00 43.11 C ATOM 469 C THR A 32 8.120 4.195 -0.542 1.00 2.54 C ATOM 470 O THR A 32 8.033 5.219 -1.219 1.00 63.31 O ATOM 471 CB THR A 32 6.199 4.681 0.989 1.00 61.10 C ATOM 472 OG1 THR A 32 5.733 4.660 2.326 1.00 32.05 O ATOM 473 CG2 THR A 32 5.236 3.865 0.153 1.00 2.45 C ATOM 0 H THR A 32 8.154 5.943 1.925 1.00 45.15 H new ATOM 0 HA THR A 32 7.689 3.156 1.278 1.00 43.11 H new ATOM 0 HB THR A 32 6.224 5.697 0.595 1.00 61.10 H new ATOM 0 HG1 THR A 32 4.809 4.985 2.355 1.00 32.05 H new ATOM 0 HG21 THR A 32 4.230 4.273 0.254 1.00 2.45 H new ATOM 0 HG22 THR A 32 5.540 3.903 -0.893 1.00 2.45 H new ATOM 0 HG23 THR A 32 5.243 2.830 0.496 1.00 2.45 H new ATOM 481 N PRO A 33 8.631 3.054 -1.045 1.00 11.43 N ATOM 482 CA PRO A 33 9.115 2.950 -2.424 1.00 45.13 C ATOM 483 C PRO A 33 7.981 2.868 -3.442 1.00 31.43 C ATOM 484 O PRO A 33 8.223 2.821 -4.649 1.00 12.40 O ATOM 485 CB PRO A 33 9.914 1.650 -2.416 1.00 10.30 C ATOM 486 CG PRO A 33 9.267 0.819 -1.363 1.00 12.03 C ATOM 487 CD PRO A 33 8.774 1.780 -0.313 1.00 41.42 C ATOM 0 HA PRO A 33 9.692 3.827 -2.717 1.00 45.13 H new ATOM 0 HB2 PRO A 33 9.879 1.157 -3.387 1.00 10.30 H new ATOM 0 HB3 PRO A 33 10.964 1.831 -2.188 1.00 10.30 H new ATOM 0 HG2 PRO A 33 8.443 0.238 -1.777 1.00 12.03 H new ATOM 0 HG3 PRO A 33 9.976 0.108 -0.938 1.00 12.03 H new ATOM 0 HD2 PRO A 33 7.825 1.455 0.114 1.00 41.42 H new ATOM 0 HD3 PRO A 33 9.481 1.869 0.512 1.00 41.42 H new ATOM 495 N GLU A 34 6.743 2.850 -2.954 1.00 11.32 N ATOM 496 CA GLU A 34 5.578 2.773 -3.828 1.00 53.25 C ATOM 497 C GLU A 34 5.106 4.166 -4.237 1.00 10.23 C ATOM 498 O GLU A 34 3.907 4.436 -4.291 1.00 54.24 O ATOM 499 CB GLU A 34 4.443 2.022 -3.130 1.00 63.21 C ATOM 500 CG GLU A 34 4.530 0.512 -3.283 1.00 20.42 C ATOM 501 CD GLU A 34 5.876 -0.042 -2.856 1.00 61.21 C ATOM 502 OE1 GLU A 34 6.134 -0.097 -1.635 1.00 20.23 O ATOM 503 OE2 GLU A 34 6.672 -0.418 -3.742 1.00 71.10 O ATOM 0 H GLU A 34 6.522 2.888 -1.959 1.00 11.32 H new ATOM 0 HA GLU A 34 5.867 2.231 -4.728 1.00 53.25 H new ATOM 0 HB2 GLU A 34 4.451 2.273 -2.069 1.00 63.21 H new ATOM 0 HB3 GLU A 34 3.490 2.366 -3.532 1.00 63.21 H new ATOM 0 HG2 GLU A 34 3.744 0.045 -2.689 1.00 20.42 H new ATOM 0 HG3 GLU A 34 4.345 0.245 -4.323 1.00 20.42 H new ATOM 510 N CYS A 35 6.059 5.048 -4.526 1.00 34.03 N ATOM 511 CA CYS A 35 5.746 6.412 -4.931 1.00 51.31 C ATOM 512 C CYS A 35 6.581 6.829 -6.142 1.00 2.43 C ATOM 513 O CYS A 35 6.616 8.004 -6.506 1.00 20.32 O ATOM 514 CB CYS A 35 5.996 7.376 -3.770 1.00 24.41 C ATOM 515 SG CYS A 35 5.480 6.737 -2.142 1.00 51.41 S ATOM 0 H CYS A 35 7.057 4.840 -4.487 1.00 34.03 H new ATOM 0 HA CYS A 35 4.693 6.450 -5.210 1.00 51.31 H new ATOM 0 HB2 CYS A 35 7.059 7.615 -3.734 1.00 24.41 H new ATOM 0 HB3 CYS A 35 5.466 8.308 -3.966 1.00 24.41 H new ATOM 520 N GLY A 36 7.259 5.862 -6.756 1.00 63.22 N ATOM 521 CA GLY A 36 8.089 6.153 -7.910 1.00 52.33 C ATOM 522 C GLY A 36 7.339 6.079 -9.230 1.00 55.01 C ATOM 523 O GLY A 36 7.520 6.940 -10.091 1.00 64.32 O ATOM 0 H GLY A 36 7.247 4.882 -6.474 1.00 63.22 H new ATOM 0 HA2 GLY A 36 8.515 7.150 -7.799 1.00 52.33 H new ATOM 0 HA3 GLY A 36 8.922 5.451 -7.935 1.00 52.33 H new ATOM 527 N PRO A 37 6.494 5.052 -9.433 1.00 73.14 N ATOM 528 CA PRO A 37 5.741 4.892 -10.676 1.00 23.15 C ATOM 529 C PRO A 37 4.477 5.746 -10.720 1.00 63.30 C ATOM 530 O PRO A 37 4.245 6.473 -11.686 1.00 0.41 O ATOM 531 CB PRO A 37 5.388 3.406 -10.674 1.00 62.32 C ATOM 532 CG PRO A 37 5.306 3.029 -9.232 1.00 11.42 C ATOM 533 CD PRO A 37 6.215 3.966 -8.475 1.00 1.33 C ATOM 0 HA PRO A 37 6.316 5.213 -11.545 1.00 23.15 H new ATOM 0 HB2 PRO A 37 4.442 3.225 -11.184 1.00 62.32 H new ATOM 0 HB3 PRO A 37 6.147 2.820 -11.192 1.00 62.32 H new ATOM 0 HG2 PRO A 37 4.281 3.111 -8.870 1.00 11.42 H new ATOM 0 HG3 PRO A 37 5.613 1.993 -9.087 1.00 11.42 H new ATOM 0 HD2 PRO A 37 5.735 4.345 -7.573 1.00 1.33 H new ATOM 0 HD3 PRO A 37 7.131 3.466 -8.162 1.00 1.33 H new ATOM 541 N THR A 38 3.661 5.654 -9.677 1.00 72.51 N ATOM 542 CA THR A 38 2.421 6.419 -9.608 1.00 5.33 C ATOM 543 C THR A 38 2.542 7.574 -8.623 1.00 31.43 C ATOM 544 O THR A 38 1.896 8.609 -8.783 1.00 73.30 O ATOM 545 CB THR A 38 1.256 5.518 -9.186 1.00 71.42 C ATOM 546 OG1 THR A 38 0.140 6.294 -8.788 1.00 73.30 O ATOM 547 CG2 THR A 38 1.601 4.592 -8.039 1.00 44.04 C ATOM 0 H THR A 38 3.835 5.058 -8.868 1.00 72.51 H new ATOM 0 HA THR A 38 2.229 6.821 -10.603 1.00 5.33 H new ATOM 0 HB THR A 38 1.025 4.915 -10.064 1.00 71.42 H new ATOM 0 HG1 THR A 38 -0.661 5.729 -8.768 1.00 73.30 H new ATOM 0 HG21 THR A 38 0.733 3.982 -7.790 1.00 44.04 H new ATOM 0 HG22 THR A 38 2.428 3.944 -8.330 1.00 44.04 H new ATOM 0 HG23 THR A 38 1.891 5.182 -7.170 1.00 44.04 H new ATOM 555 N GLY A 39 3.352 7.379 -7.590 1.00 33.13 N ATOM 556 CA GLY A 39 3.514 8.404 -6.577 1.00 62.14 C ATOM 557 C GLY A 39 2.370 8.390 -5.579 1.00 14.14 C ATOM 558 O GLY A 39 2.345 9.180 -4.636 1.00 32.31 O ATOM 0 H GLY A 39 3.898 6.532 -7.436 1.00 33.13 H new ATOM 0 HA2 GLY A 39 4.457 8.252 -6.052 1.00 62.14 H new ATOM 0 HA3 GLY A 39 3.569 9.382 -7.054 1.00 62.14 H new ATOM 562 N TYR A 40 1.420 7.481 -5.795 1.00 12.43 N ATOM 563 CA TYR A 40 0.263 7.341 -4.926 1.00 72.12 C ATOM 564 C TYR A 40 0.294 5.984 -4.228 1.00 52.23 C ATOM 565 O TYR A 40 0.435 4.950 -4.882 1.00 63.24 O ATOM 566 CB TYR A 40 -1.025 7.470 -5.745 1.00 3.43 C ATOM 567 CG TYR A 40 -1.333 8.880 -6.201 1.00 2.20 C ATOM 568 CD1 TYR A 40 -0.385 9.638 -6.878 1.00 11.45 C ATOM 569 CD2 TYR A 40 -2.576 9.450 -5.958 1.00 71.14 C ATOM 570 CE1 TYR A 40 -0.667 10.924 -7.298 1.00 41.14 C ATOM 571 CE2 TYR A 40 -2.866 10.734 -6.377 1.00 4.45 C ATOM 572 CZ TYR A 40 -1.909 11.467 -7.046 1.00 61.44 C ATOM 573 OH TYR A 40 -2.194 12.746 -7.464 1.00 3.50 O ATOM 0 H TYR A 40 1.435 6.825 -6.576 1.00 12.43 H new ATOM 0 HA TYR A 40 0.290 8.130 -4.174 1.00 72.12 H new ATOM 0 HB2 TYR A 40 -0.951 6.825 -6.621 1.00 3.43 H new ATOM 0 HB3 TYR A 40 -1.860 7.103 -5.148 1.00 3.43 H new ATOM 0 HD1 TYR A 40 0.588 9.215 -7.079 1.00 11.45 H new ATOM 0 HD2 TYR A 40 -3.328 8.880 -5.433 1.00 71.14 H new ATOM 0 HE1 TYR A 40 0.082 11.501 -7.821 1.00 41.14 H new ATOM 0 HE2 TYR A 40 -3.838 11.162 -6.181 1.00 4.45 H new ATOM 0 HH TYR A 40 -3.112 12.977 -7.209 1.00 3.50 H new ATOM 583 N VAL A 41 0.168 5.984 -2.904 1.00 42.43 N ATOM 584 CA VAL A 41 0.191 4.737 -2.147 1.00 62.13 C ATOM 585 C VAL A 41 -1.120 4.501 -1.399 1.00 74.32 C ATOM 586 O VAL A 41 -1.614 5.379 -0.693 1.00 3.13 O ATOM 587 CB VAL A 41 1.361 4.704 -1.147 1.00 24.30 C ATOM 588 CG1 VAL A 41 2.686 4.878 -1.872 1.00 2.21 C ATOM 589 CG2 VAL A 41 1.186 5.769 -0.075 1.00 64.44 C ATOM 0 H VAL A 41 0.050 6.824 -2.338 1.00 42.43 H new ATOM 0 HA VAL A 41 0.325 3.938 -2.877 1.00 62.13 H new ATOM 0 HB VAL A 41 1.365 3.731 -0.656 1.00 24.30 H new ATOM 0 HG11 VAL A 41 3.502 4.852 -1.150 1.00 2.21 H new ATOM 0 HG12 VAL A 41 2.815 4.071 -2.594 1.00 2.21 H new ATOM 0 HG13 VAL A 41 2.693 5.835 -2.393 1.00 2.21 H new ATOM 0 HG21 VAL A 41 2.024 5.727 0.620 1.00 64.44 H new ATOM 0 HG22 VAL A 41 1.151 6.753 -0.542 1.00 64.44 H new ATOM 0 HG23 VAL A 41 0.257 5.591 0.466 1.00 64.44 H new ATOM 599 N GLU A 42 -1.672 3.300 -1.566 1.00 61.52 N ATOM 600 CA GLU A 42 -2.929 2.919 -0.922 1.00 3.23 C ATOM 601 C GLU A 42 -2.685 2.041 0.301 1.00 23.24 C ATOM 602 O GLU A 42 -1.558 1.616 0.562 1.00 50.54 O ATOM 603 CB GLU A 42 -3.820 2.169 -1.916 1.00 62.53 C ATOM 604 CG GLU A 42 -3.066 1.151 -2.752 1.00 13.02 C ATOM 605 CD GLU A 42 -3.829 -0.149 -2.923 1.00 72.20 C ATOM 606 OE1 GLU A 42 -5.036 -0.178 -2.599 1.00 31.14 O ATOM 607 OE2 GLU A 42 -3.221 -1.139 -3.382 1.00 2.41 O ATOM 0 H GLU A 42 -1.264 2.568 -2.147 1.00 61.52 H new ATOM 0 HA GLU A 42 -3.425 3.833 -0.596 1.00 3.23 H new ATOM 0 HB2 GLU A 42 -4.615 1.662 -1.369 1.00 62.53 H new ATOM 0 HB3 GLU A 42 -4.299 2.890 -2.579 1.00 62.53 H new ATOM 0 HG2 GLU A 42 -2.857 1.576 -3.734 1.00 13.02 H new ATOM 0 HG3 GLU A 42 -2.104 0.944 -2.283 1.00 13.02 H new ATOM 614 N LYS A 43 -3.757 1.763 1.039 1.00 11.22 N ATOM 615 CA LYS A 43 -3.676 0.927 2.230 1.00 62.41 C ATOM 616 C LYS A 43 -4.472 -0.363 2.041 1.00 53.12 C ATOM 617 O LYS A 43 -5.683 -0.400 2.268 1.00 1.11 O ATOM 618 CB LYS A 43 -4.192 1.687 3.455 1.00 42.13 C ATOM 619 CG LYS A 43 -3.277 1.586 4.663 1.00 13.50 C ATOM 620 CD LYS A 43 -3.615 2.637 5.709 1.00 11.04 C ATOM 621 CE LYS A 43 -3.483 2.083 7.117 1.00 11.11 C ATOM 622 NZ LYS A 43 -3.050 3.127 8.086 1.00 54.40 N ATOM 0 H LYS A 43 -4.694 2.107 0.831 1.00 11.22 H new ATOM 0 HA LYS A 43 -2.629 0.669 2.391 1.00 62.41 H new ATOM 0 HB2 LYS A 43 -4.320 2.737 3.193 1.00 42.13 H new ATOM 0 HB3 LYS A 43 -5.177 1.303 3.722 1.00 42.13 H new ATOM 0 HG2 LYS A 43 -3.363 0.593 5.103 1.00 13.50 H new ATOM 0 HG3 LYS A 43 -2.241 1.706 4.347 1.00 13.50 H new ATOM 0 HD2 LYS A 43 -2.954 3.495 5.591 1.00 11.04 H new ATOM 0 HD3 LYS A 43 -4.633 2.995 5.551 1.00 11.04 H new ATOM 0 HE2 LYS A 43 -4.439 1.667 7.435 1.00 11.11 H new ATOM 0 HE3 LYS A 43 -2.763 1.265 7.119 1.00 11.11 H new ATOM 0 HZ1 LYS A 43 -2.972 2.709 9.035 1.00 54.40 H new ATOM 0 HZ2 LYS A 43 -2.126 3.506 7.798 1.00 54.40 H new ATOM 0 HZ3 LYS A 43 -3.750 3.896 8.103 1.00 54.40 H new ATOM 636 N ILE A 44 -3.781 -1.416 1.622 1.00 32.43 N ATOM 637 CA ILE A 44 -4.417 -2.710 1.398 1.00 61.52 C ATOM 638 C ILE A 44 -4.175 -3.652 2.573 1.00 63.40 C ATOM 639 O ILE A 44 -3.045 -3.803 3.038 1.00 33.33 O ATOM 640 CB ILE A 44 -3.899 -3.372 0.108 1.00 31.32 C ATOM 641 CG1 ILE A 44 -2.374 -3.502 0.148 1.00 72.31 C ATOM 642 CG2 ILE A 44 -4.337 -2.572 -1.110 1.00 10.33 C ATOM 643 CD1 ILE A 44 -1.896 -4.933 0.242 1.00 31.45 C ATOM 0 H ILE A 44 -2.779 -1.400 1.430 1.00 32.43 H new ATOM 0 HA ILE A 44 -5.487 -2.525 1.299 1.00 61.52 H new ATOM 0 HB ILE A 44 -4.326 -4.372 0.035 1.00 31.32 H new ATOM 0 HG12 ILE A 44 -1.954 -3.045 -0.748 1.00 72.31 H new ATOM 0 HG13 ILE A 44 -1.991 -2.942 1.001 1.00 72.31 H new ATOM 0 HG21 ILE A 44 -3.963 -3.052 -2.014 1.00 10.33 H new ATOM 0 HG22 ILE A 44 -5.426 -2.529 -1.145 1.00 10.33 H new ATOM 0 HG23 ILE A 44 -3.936 -1.560 -1.044 1.00 10.33 H new ATOM 0 HD11 ILE A 44 -0.806 -4.952 0.266 1.00 31.45 H new ATOM 0 HD12 ILE A 44 -2.287 -5.388 1.152 1.00 31.45 H new ATOM 0 HD13 ILE A 44 -2.249 -5.492 -0.624 1.00 31.45 H new ATOM 655 N THR A 45 -5.244 -4.283 3.051 1.00 55.41 N ATOM 656 CA THR A 45 -5.147 -5.211 4.174 1.00 51.25 C ATOM 657 C THR A 45 -5.213 -6.657 3.694 1.00 40.22 C ATOM 658 O THR A 45 -6.021 -6.998 2.829 1.00 1.12 O ATOM 659 CB THR A 45 -6.270 -4.945 5.179 1.00 15.12 C ATOM 660 OG1 THR A 45 -6.352 -3.564 5.484 1.00 3.01 O ATOM 661 CG2 THR A 45 -6.094 -5.693 6.483 1.00 42.42 C ATOM 0 H THR A 45 -6.187 -4.169 2.679 1.00 55.41 H new ATOM 0 HA THR A 45 -4.185 -5.053 4.661 1.00 51.25 H new ATOM 0 HB THR A 45 -7.181 -5.298 4.696 1.00 15.12 H new ATOM 0 HG1 THR A 45 -7.077 -3.413 6.126 1.00 3.01 H new ATOM 0 HG21 THR A 45 -6.924 -5.460 7.151 1.00 42.42 H new ATOM 0 HG22 THR A 45 -6.075 -6.765 6.288 1.00 42.42 H new ATOM 0 HG23 THR A 45 -5.156 -5.393 6.951 1.00 42.42 H new ATOM 669 N CYS A 46 -4.357 -7.504 4.259 1.00 64.32 N ATOM 670 CA CYS A 46 -4.322 -8.914 3.884 1.00 13.53 C ATOM 671 C CYS A 46 -5.233 -9.744 4.777 1.00 55.44 C ATOM 672 O CYS A 46 -5.040 -9.808 5.990 1.00 70.35 O ATOM 673 CB CYS A 46 -2.892 -9.456 3.955 1.00 22.14 C ATOM 674 SG CYS A 46 -1.791 -8.800 2.657 1.00 51.55 S ATOM 0 H CYS A 46 -3.681 -7.240 4.975 1.00 64.32 H new ATOM 0 HA CYS A 46 -4.681 -8.991 2.858 1.00 13.53 H new ATOM 0 HB2 CYS A 46 -2.471 -9.216 4.931 1.00 22.14 H new ATOM 0 HB3 CYS A 46 -2.921 -10.543 3.879 1.00 22.14 H new ATOM 679 N SER A 47 -6.221 -10.390 4.164 1.00 45.25 N ATOM 680 CA SER A 47 -7.158 -11.231 4.901 1.00 42.35 C ATOM 681 C SER A 47 -6.401 -12.203 5.800 1.00 14.03 C ATOM 682 O SER A 47 -6.894 -12.612 6.851 1.00 21.44 O ATOM 683 CB SER A 47 -8.051 -12.005 3.930 1.00 63.32 C ATOM 684 OG SER A 47 -8.814 -12.987 4.610 1.00 14.35 O ATOM 0 H SER A 47 -6.393 -10.347 3.160 1.00 45.25 H new ATOM 0 HA SER A 47 -7.784 -10.591 5.523 1.00 42.35 H new ATOM 0 HB2 SER A 47 -8.718 -11.314 3.415 1.00 63.32 H new ATOM 0 HB3 SER A 47 -7.436 -12.482 3.167 1.00 63.32 H new ATOM 0 HG SER A 47 -9.377 -13.467 3.967 1.00 14.35 H new ATOM 690 N SER A 48 -5.190 -12.555 5.378 1.00 3.45 N ATOM 691 CA SER A 48 -4.348 -13.462 6.137 1.00 4.33 C ATOM 692 C SER A 48 -3.549 -12.691 7.181 1.00 11.24 C ATOM 693 O SER A 48 -2.554 -12.040 6.862 1.00 45.14 O ATOM 694 CB SER A 48 -3.404 -14.219 5.204 1.00 32.31 C ATOM 695 OG SER A 48 -2.305 -14.760 5.916 1.00 44.11 O ATOM 0 H SER A 48 -4.772 -12.222 4.509 1.00 3.45 H new ATOM 0 HA SER A 48 -4.987 -14.184 6.646 1.00 4.33 H new ATOM 0 HB2 SER A 48 -3.948 -15.021 4.705 1.00 32.31 H new ATOM 0 HB3 SER A 48 -3.041 -13.547 4.426 1.00 32.31 H new ATOM 0 HG SER A 48 -2.001 -15.581 5.475 1.00 44.11 H new ATOM 701 N SER A 49 -4.008 -12.767 8.425 1.00 21.11 N ATOM 702 CA SER A 49 -3.369 -12.083 9.550 1.00 51.02 C ATOM 703 C SER A 49 -3.743 -10.605 9.585 1.00 25.33 C ATOM 704 O SER A 49 -3.155 -9.833 10.343 1.00 51.41 O ATOM 705 CB SER A 49 -1.840 -12.228 9.501 1.00 14.34 C ATOM 706 OG SER A 49 -1.385 -13.146 10.481 1.00 42.14 O ATOM 0 H SER A 49 -4.835 -13.305 8.685 1.00 21.11 H new ATOM 0 HA SER A 49 -3.735 -12.559 10.459 1.00 51.02 H new ATOM 0 HB2 SER A 49 -1.535 -12.567 8.511 1.00 14.34 H new ATOM 0 HB3 SER A 49 -1.374 -11.256 9.663 1.00 14.34 H new ATOM 0 HG SER A 49 -0.409 -13.223 10.429 1.00 42.14 H new ATOM 712 N LYS A 50 -4.718 -10.211 8.762 1.00 72.14 N ATOM 713 CA LYS A 50 -5.156 -8.818 8.703 1.00 20.52 C ATOM 714 C LYS A 50 -3.953 -7.883 8.754 1.00 2.24 C ATOM 715 O LYS A 50 -3.685 -7.252 9.777 1.00 33.43 O ATOM 716 CB LYS A 50 -6.113 -8.511 9.857 1.00 22.21 C ATOM 717 CG LYS A 50 -7.577 -8.524 9.453 1.00 61.25 C ATOM 718 CD LYS A 50 -7.942 -7.293 8.638 1.00 54.41 C ATOM 719 CE LYS A 50 -9.377 -6.863 8.891 1.00 54.43 C ATOM 720 NZ LYS A 50 -9.483 -5.929 10.045 1.00 32.11 N ATOM 0 H LYS A 50 -5.217 -10.837 8.130 1.00 72.14 H new ATOM 0 HA LYS A 50 -5.683 -8.660 7.762 1.00 20.52 H new ATOM 0 HB2 LYS A 50 -5.957 -9.241 10.651 1.00 22.21 H new ATOM 0 HB3 LYS A 50 -5.868 -7.533 10.271 1.00 22.21 H new ATOM 0 HG2 LYS A 50 -7.787 -9.422 8.872 1.00 61.25 H new ATOM 0 HG3 LYS A 50 -8.201 -8.569 10.345 1.00 61.25 H new ATOM 0 HD2 LYS A 50 -7.266 -6.475 8.889 1.00 54.41 H new ATOM 0 HD3 LYS A 50 -7.806 -7.504 7.577 1.00 54.41 H new ATOM 0 HE2 LYS A 50 -9.774 -6.382 7.997 1.00 54.43 H new ATOM 0 HE3 LYS A 50 -9.992 -7.743 9.079 1.00 54.43 H new ATOM 0 HZ1 LYS A 50 -10.478 -5.660 10.184 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 -9.128 -6.396 10.904 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 -8.917 -5.077 9.855 1.00 32.11 H new ATOM 734 N ARG A 51 -3.221 -7.817 7.649 1.00 1.11 N ATOM 735 CA ARG A 51 -2.035 -6.980 7.572 1.00 14.13 C ATOM 736 C ARG A 51 -2.202 -5.880 6.533 1.00 53.14 C ATOM 737 O ARG A 51 -2.385 -6.151 5.346 1.00 22.30 O ATOM 738 CB ARG A 51 -0.813 -7.842 7.253 1.00 42.52 C ATOM 739 CG ARG A 51 0.285 -7.753 8.300 1.00 52.54 C ATOM 740 CD ARG A 51 1.534 -8.499 7.860 1.00 73.22 C ATOM 741 NE ARG A 51 2.695 -8.152 8.676 1.00 64.03 N ATOM 742 CZ ARG A 51 3.405 -7.038 8.518 1.00 42.13 C ATOM 743 NH1 ARG A 51 3.078 -6.160 7.577 1.00 21.42 N ATOM 744 NH2 ARG A 51 4.447 -6.800 9.304 1.00 50.42 N ATOM 0 H ARG A 51 -3.430 -8.334 6.795 1.00 1.11 H new ATOM 0 HA ARG A 51 -1.889 -6.499 8.539 1.00 14.13 H new ATOM 0 HB2 ARG A 51 -1.127 -8.881 7.156 1.00 42.52 H new ATOM 0 HB3 ARG A 51 -0.408 -7.540 6.287 1.00 42.52 H new ATOM 0 HG2 ARG A 51 0.530 -6.707 8.484 1.00 52.54 H new ATOM 0 HG3 ARG A 51 -0.074 -8.167 9.242 1.00 52.54 H new ATOM 0 HD2 ARG A 51 1.356 -9.573 7.921 1.00 73.22 H new ATOM 0 HD3 ARG A 51 1.744 -8.270 6.815 1.00 73.22 H new ATOM 0 HE ARG A 51 2.978 -8.802 9.410 1.00 64.03 H new ATOM 0 HH11 ARG A 51 2.278 -6.338 6.970 1.00 21.42 H new ATOM 0 HH12 ARG A 51 3.627 -5.308 7.462 1.00 21.42 H new ATOM 0 HH21 ARG A 51 4.703 -7.471 10.028 1.00 50.42 H new ATOM 0 HH22 ARG A 51 4.992 -5.946 9.184 1.00 50.42 H new ATOM 758 N ASN A 52 -2.137 -4.637 6.994 1.00 34.42 N ATOM 759 CA ASN A 52 -2.280 -3.482 6.116 1.00 23.12 C ATOM 760 C ASN A 52 -0.927 -3.043 5.568 1.00 31.12 C ATOM 761 O ASN A 52 -0.106 -2.480 6.291 1.00 2.31 O ATOM 762 CB ASN A 52 -2.941 -2.323 6.864 1.00 20.24 C ATOM 763 CG ASN A 52 -2.119 -1.855 8.050 1.00 4.31 C ATOM 764 OD1 ASN A 52 -1.331 -0.916 7.942 1.00 5.34 O ATOM 765 ND2 ASN A 52 -2.298 -2.513 9.190 1.00 3.21 N ATOM 0 H ASN A 52 -1.986 -4.402 7.975 1.00 34.42 H new ATOM 0 HA ASN A 52 -2.914 -3.772 5.278 1.00 23.12 H new ATOM 0 HB2 ASN A 52 -3.090 -1.490 6.178 1.00 20.24 H new ATOM 0 HB3 ASN A 52 -3.928 -2.633 7.209 1.00 20.24 H new ATOM 0 HD21 ASN A 52 -1.771 -2.245 10.021 1.00 3.21 H new ATOM 0 HD22 ASN A 52 -2.962 -3.286 9.234 1.00 3.21 H new ATOM 772 N GLU A 53 -0.705 -3.304 4.286 1.00 41.33 N ATOM 773 CA GLU A 53 0.546 -2.935 3.638 1.00 4.05 C ATOM 774 C GLU A 53 0.380 -1.648 2.838 1.00 61.35 C ATOM 775 O GLU A 53 -0.738 -1.220 2.556 1.00 75.32 O ATOM 776 CB GLU A 53 1.021 -4.064 2.721 1.00 12.24 C ATOM 777 CG GLU A 53 2.165 -4.879 3.301 1.00 2.20 C ATOM 778 CD GLU A 53 3.344 -4.018 3.714 1.00 62.15 C ATOM 779 OE1 GLU A 53 4.194 -3.722 2.848 1.00 30.34 O ATOM 780 OE2 GLU A 53 3.416 -3.641 4.902 1.00 35.21 O ATOM 0 H GLU A 53 -1.375 -3.770 3.675 1.00 41.33 H new ATOM 0 HA GLU A 53 1.295 -2.768 4.412 1.00 4.05 H new ATOM 0 HB2 GLU A 53 0.182 -4.728 2.512 1.00 12.24 H new ATOM 0 HB3 GLU A 53 1.336 -3.639 1.768 1.00 12.24 H new ATOM 0 HG2 GLU A 53 1.807 -5.437 4.166 1.00 2.20 H new ATOM 0 HG3 GLU A 53 2.495 -5.611 2.564 1.00 2.20 H new ATOM 787 N PHE A 54 1.502 -1.038 2.475 1.00 62.12 N ATOM 788 CA PHE A 54 1.481 0.199 1.706 1.00 52.31 C ATOM 789 C PHE A 54 1.842 -0.069 0.249 1.00 20.21 C ATOM 790 O PHE A 54 3.018 -0.150 -0.105 1.00 71.11 O ATOM 791 CB PHE A 54 2.453 1.216 2.306 1.00 31.23 C ATOM 792 CG PHE A 54 1.875 1.992 3.456 1.00 44.21 C ATOM 793 CD1 PHE A 54 1.460 1.344 4.607 1.00 60.55 C ATOM 794 CD2 PHE A 54 1.748 3.370 3.383 1.00 53.04 C ATOM 795 CE1 PHE A 54 0.928 2.055 5.666 1.00 31.14 C ATOM 796 CE2 PHE A 54 1.217 4.087 4.439 1.00 20.43 C ATOM 797 CZ PHE A 54 0.806 3.428 5.582 1.00 5.43 C ATOM 0 H PHE A 54 2.436 -1.380 2.701 1.00 62.12 H new ATOM 0 HA PHE A 54 0.472 0.609 1.746 1.00 52.31 H new ATOM 0 HB2 PHE A 54 3.349 0.695 2.643 1.00 31.23 H new ATOM 0 HB3 PHE A 54 2.764 1.913 1.528 1.00 31.23 H new ATOM 0 HD1 PHE A 54 1.553 0.270 4.678 1.00 60.55 H new ATOM 0 HD2 PHE A 54 2.067 3.889 2.492 1.00 53.04 H new ATOM 0 HE1 PHE A 54 0.608 1.537 6.558 1.00 31.14 H new ATOM 0 HE2 PHE A 54 1.124 5.161 4.371 1.00 20.43 H new ATOM 0 HZ PHE A 54 0.390 3.986 6.408 1.00 5.43 H new ATOM 807 N LYS A 55 0.823 -0.207 -0.591 1.00 44.01 N ATOM 808 CA LYS A 55 1.032 -0.469 -2.010 1.00 73.11 C ATOM 809 C LYS A 55 0.770 0.784 -2.836 1.00 63.12 C ATOM 810 O LYS A 55 0.392 1.822 -2.298 1.00 60.32 O ATOM 811 CB LYS A 55 0.130 -1.611 -2.480 1.00 13.23 C ATOM 812 CG LYS A 55 0.869 -2.677 -3.272 1.00 41.25 C ATOM 813 CD LYS A 55 0.195 -4.034 -3.153 1.00 62.10 C ATOM 814 CE LYS A 55 -1.214 -4.009 -3.722 1.00 31.24 C ATOM 815 NZ LYS A 55 -1.224 -3.634 -5.164 1.00 13.13 N ATOM 0 H LYS A 55 -0.157 -0.142 -0.314 1.00 44.01 H new ATOM 0 HA LYS A 55 2.072 -0.762 -2.152 1.00 73.11 H new ATOM 0 HB2 LYS A 55 -0.340 -2.074 -1.612 1.00 13.23 H new ATOM 0 HB3 LYS A 55 -0.671 -1.202 -3.095 1.00 13.23 H new ATOM 0 HG2 LYS A 55 0.915 -2.384 -4.321 1.00 41.25 H new ATOM 0 HG3 LYS A 55 1.897 -2.748 -2.915 1.00 41.25 H new ATOM 0 HD2 LYS A 55 0.787 -4.783 -3.679 1.00 62.10 H new ATOM 0 HD3 LYS A 55 0.160 -4.333 -2.105 1.00 62.10 H new ATOM 0 HE2 LYS A 55 -1.673 -4.990 -3.599 1.00 31.24 H new ATOM 0 HE3 LYS A 55 -1.821 -3.300 -3.158 1.00 31.24 H new ATOM 0 HZ1 LYS A 55 -2.165 -3.823 -5.565 1.00 13.13 H new ATOM 0 HZ2 LYS A 55 -1.003 -2.622 -5.261 1.00 13.13 H new ATOM 0 HZ3 LYS A 55 -0.511 -4.194 -5.673 1.00 13.13 H new ATOM 829 N SER A 56 0.975 0.684 -4.145 1.00 61.14 N ATOM 830 CA SER A 56 0.759 1.814 -5.043 1.00 14.20 C ATOM 831 C SER A 56 -0.355 1.507 -6.039 1.00 33.41 C ATOM 832 O SER A 56 -0.434 0.398 -6.568 1.00 61.31 O ATOM 833 CB SER A 56 2.051 2.148 -5.794 1.00 42.24 C ATOM 834 OG SER A 56 2.915 1.026 -5.845 1.00 4.04 O ATOM 0 H SER A 56 1.291 -0.168 -4.608 1.00 61.14 H new ATOM 0 HA SER A 56 0.462 2.674 -4.443 1.00 14.20 H new ATOM 0 HB2 SER A 56 1.813 2.474 -6.806 1.00 42.24 H new ATOM 0 HB3 SER A 56 2.557 2.979 -5.302 1.00 42.24 H new ATOM 0 HG SER A 56 3.732 1.264 -6.331 1.00 4.04 H new ATOM 840 N CYS A 57 -1.213 2.491 -6.297 1.00 64.24 N ATOM 841 CA CYS A 57 -2.314 2.300 -7.240 1.00 63.31 C ATOM 842 C CYS A 57 -2.430 3.483 -8.192 1.00 53.51 C ATOM 843 O CYS A 57 -1.712 4.473 -8.060 1.00 2.13 O ATOM 844 CB CYS A 57 -3.640 2.060 -6.493 1.00 44.32 C ATOM 845 SG CYS A 57 -4.632 3.550 -6.103 1.00 74.43 S ATOM 0 H CYS A 57 -1.170 3.418 -5.873 1.00 64.24 H new ATOM 0 HA CYS A 57 -2.097 1.413 -7.835 1.00 63.31 H new ATOM 0 HB2 CYS A 57 -4.254 1.388 -7.092 1.00 44.32 H new ATOM 0 HB3 CYS A 57 -3.418 1.542 -5.560 1.00 44.32 H new ATOM 850 N ARG A 58 -3.336 3.369 -9.154 1.00 31.41 N ATOM 851 CA ARG A 58 -3.542 4.426 -10.130 1.00 62.35 C ATOM 852 C ARG A 58 -4.663 5.360 -9.687 1.00 33.04 C ATOM 853 O ARG A 58 -5.791 4.926 -9.454 1.00 54.43 O ATOM 854 CB ARG A 58 -3.865 3.828 -11.500 1.00 21.10 C ATOM 855 CG ARG A 58 -3.040 2.595 -11.844 1.00 44.23 C ATOM 856 CD ARG A 58 -3.923 1.422 -12.239 1.00 3.11 C ATOM 857 NE ARG A 58 -3.153 0.335 -12.838 1.00 31.04 N ATOM 858 CZ ARG A 58 -3.702 -0.745 -13.390 1.00 14.44 C ATOM 859 NH1 ARG A 58 -5.021 -0.887 -13.420 1.00 70.32 N ATOM 860 NH2 ARG A 58 -2.928 -1.687 -13.913 1.00 52.21 N ATOM 0 H ARG A 58 -3.939 2.555 -9.278 1.00 31.41 H new ATOM 0 HA ARG A 58 -2.621 5.005 -10.206 1.00 62.35 H new ATOM 0 HB2 ARG A 58 -4.923 3.566 -11.531 1.00 21.10 H new ATOM 0 HB3 ARG A 58 -3.702 4.587 -12.265 1.00 21.10 H new ATOM 0 HG2 ARG A 58 -2.358 2.829 -12.662 1.00 44.23 H new ATOM 0 HG3 ARG A 58 -2.426 2.317 -10.987 1.00 44.23 H new ATOM 0 HD2 ARG A 58 -4.449 1.052 -11.359 1.00 3.11 H new ATOM 0 HD3 ARG A 58 -4.682 1.761 -12.945 1.00 3.11 H new ATOM 0 HE ARG A 58 -2.136 0.408 -12.833 1.00 31.04 H new ATOM 0 HH11 ARG A 58 -5.621 -0.166 -13.019 1.00 70.32 H new ATOM 0 HH12 ARG A 58 -5.435 -1.717 -13.844 1.00 70.32 H new ATOM 0 HH21 ARG A 58 -1.913 -1.583 -13.892 1.00 52.21 H new ATOM 0 HH22 ARG A 58 -3.347 -2.515 -14.336 1.00 52.21 H new ATOM 874 N SER A 59 -4.343 6.644 -9.569 1.00 52.53 N ATOM 875 CA SER A 59 -5.320 7.641 -9.151 1.00 74.44 C ATOM 876 C SER A 59 -6.142 8.134 -10.339 1.00 41.43 C ATOM 877 O SER A 59 -7.292 8.542 -10.185 1.00 4.30 O ATOM 878 CB SER A 59 -4.618 8.819 -8.471 1.00 45.24 C ATOM 879 OG SER A 59 -5.125 9.031 -7.166 1.00 1.43 O ATOM 0 H SER A 59 -3.413 7.019 -9.757 1.00 52.53 H new ATOM 0 HA SER A 59 -5.998 7.172 -8.438 1.00 74.44 H new ATOM 0 HB2 SER A 59 -3.546 8.628 -8.421 1.00 45.24 H new ATOM 0 HB3 SER A 59 -4.754 9.721 -9.068 1.00 45.24 H new ATOM 0 HG SER A 59 -4.487 9.567 -6.650 1.00 1.43 H new