USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=13 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=-0.00444 K(o=-0.0044,f=-1.4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 96:sc= 1.17 USER MOD Single : A 32 THR OG1 : rot -130:sc=-0.00115 USER MOD Single : A 38 THR OG1 : rot 175:sc= 1.17 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 180:sc= 0 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= -1.37 X(o=-1.4,f=-1.6) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= 0.691 (180deg=0.00121) USER MOD Single : A 56 SER OG : rot 129:sc= -1.67 USER MOD Single : A 59 SER OG : rot 146:sc= 0.773 USER MOD ----------------------------------------------------------------- ATOM 82 N PHE A 7 9.518 -9.158 2.342 1.00 12.34 N ATOM 83 CA PHE A 7 8.390 -9.094 1.417 1.00 72.33 C ATOM 84 C PHE A 7 7.114 -8.674 2.142 1.00 64.42 C ATOM 85 O PHE A 7 7.060 -8.671 3.372 1.00 12.34 O ATOM 86 CB PHE A 7 8.176 -10.446 0.727 1.00 10.32 C ATOM 87 CG PHE A 7 8.680 -11.623 1.517 1.00 63.12 C ATOM 88 CD1 PHE A 7 8.050 -12.008 2.689 1.00 14.34 C ATOM 89 CD2 PHE A 7 9.784 -12.343 1.085 1.00 51.23 C ATOM 90 CE1 PHE A 7 8.512 -13.088 3.417 1.00 1.23 C ATOM 91 CE2 PHE A 7 10.249 -13.423 1.809 1.00 21.01 C ATOM 92 CZ PHE A 7 9.612 -13.798 2.976 1.00 33.20 C ATOM 0 HA PHE A 7 8.623 -8.346 0.660 1.00 72.33 H new ATOM 0 HB2 PHE A 7 7.111 -10.580 0.535 1.00 10.32 H new ATOM 0 HB3 PHE A 7 8.675 -10.431 -0.242 1.00 10.32 H new ATOM 0 HD1 PHE A 7 7.188 -11.458 3.038 1.00 14.34 H new ATOM 0 HD2 PHE A 7 10.285 -12.056 0.173 1.00 51.23 H new ATOM 0 HE1 PHE A 7 8.013 -13.377 4.330 1.00 1.23 H new ATOM 0 HE2 PHE A 7 11.111 -13.974 1.463 1.00 21.01 H new ATOM 0 HZ PHE A 7 9.973 -14.644 3.542 1.00 33.20 H new ATOM 102 N PRO A 8 6.066 -8.311 1.383 1.00 43.45 N ATOM 103 CA PRO A 8 4.787 -7.887 1.946 1.00 73.54 C ATOM 104 C PRO A 8 3.860 -9.067 2.219 1.00 53.23 C ATOM 105 O PRO A 8 4.287 -10.221 2.195 1.00 60.40 O ATOM 106 CB PRO A 8 4.221 -7.013 0.833 1.00 63.11 C ATOM 107 CG PRO A 8 4.704 -7.662 -0.420 1.00 22.45 C ATOM 108 CD PRO A 8 6.041 -8.284 -0.093 1.00 2.34 C ATOM 0 HA PRO A 8 4.893 -7.384 2.907 1.00 73.54 H new ATOM 0 HB2 PRO A 8 3.132 -6.977 0.869 1.00 63.11 H new ATOM 0 HB3 PRO A 8 4.577 -5.986 0.913 1.00 63.11 H new ATOM 0 HG2 PRO A 8 3.998 -8.418 -0.762 1.00 22.45 H new ATOM 0 HG3 PRO A 8 4.802 -6.931 -1.223 1.00 22.45 H new ATOM 0 HD2 PRO A 8 6.129 -9.286 -0.513 1.00 2.34 H new ATOM 0 HD3 PRO A 8 6.865 -7.696 -0.496 1.00 2.34 H new ATOM 116 N CYS A 9 2.590 -8.772 2.469 1.00 73.50 N ATOM 117 CA CYS A 9 1.608 -9.813 2.734 1.00 71.31 C ATOM 118 C CYS A 9 0.703 -10.021 1.523 1.00 50.22 C ATOM 119 O CYS A 9 0.183 -11.114 1.307 1.00 63.45 O ATOM 120 CB CYS A 9 0.768 -9.466 3.970 1.00 35.35 C ATOM 121 SG CYS A 9 -0.406 -8.090 3.732 1.00 61.45 S ATOM 0 H CYS A 9 2.218 -7.823 2.494 1.00 73.50 H new ATOM 0 HA CYS A 9 2.145 -10.741 2.930 1.00 71.31 H new ATOM 0 HB2 CYS A 9 0.211 -10.352 4.275 1.00 35.35 H new ATOM 0 HB3 CYS A 9 1.440 -9.214 4.790 1.00 35.35 H new ATOM 126 N TRP A 10 0.521 -8.965 0.736 1.00 35.33 N ATOM 127 CA TRP A 10 -0.321 -9.034 -0.450 1.00 21.04 C ATOM 128 C TRP A 10 0.327 -9.885 -1.537 1.00 44.23 C ATOM 129 O TRP A 10 -0.342 -10.331 -2.469 1.00 71.43 O ATOM 130 CB TRP A 10 -0.602 -7.628 -0.982 1.00 52.13 C ATOM 131 CG TRP A 10 0.631 -6.806 -1.199 1.00 25.45 C ATOM 132 CD1 TRP A 10 1.221 -5.954 -0.309 1.00 32.30 C ATOM 133 CD2 TRP A 10 1.421 -6.751 -2.388 1.00 64.51 C ATOM 134 NE1 TRP A 10 2.328 -5.372 -0.877 1.00 32.22 N ATOM 135 CE2 TRP A 10 2.472 -5.848 -2.155 1.00 35.24 C ATOM 136 CE3 TRP A 10 1.337 -7.382 -3.629 1.00 40.54 C ATOM 137 CZ2 TRP A 10 3.435 -5.560 -3.119 1.00 5.42 C ATOM 138 CZ3 TRP A 10 2.292 -7.097 -4.587 1.00 23.13 C ATOM 139 CH2 TRP A 10 3.330 -6.193 -4.328 1.00 22.11 C ATOM 0 H TRP A 10 0.946 -8.052 0.899 1.00 35.33 H new ATOM 0 HA TRP A 10 -1.263 -9.504 -0.167 1.00 21.04 H new ATOM 0 HB2 TRP A 10 -1.145 -7.708 -1.924 1.00 52.13 H new ATOM 0 HB3 TRP A 10 -1.255 -7.108 -0.281 1.00 52.13 H new ATOM 0 HD1 TRP A 10 0.869 -5.766 0.694 1.00 32.30 H new ATOM 0 HE1 TRP A 10 2.942 -4.696 -0.423 1.00 32.22 H new ATOM 0 HE3 TRP A 10 0.540 -8.081 -3.838 1.00 40.54 H new ATOM 0 HZ2 TRP A 10 4.235 -4.863 -2.920 1.00 5.42 H new ATOM 0 HZ3 TRP A 10 2.237 -7.580 -5.552 1.00 23.13 H new ATOM 0 HH2 TRP A 10 4.061 -5.992 -5.097 1.00 22.11 H new ATOM 150 N LEU A 11 1.632 -10.109 -1.414 1.00 50.21 N ATOM 151 CA LEU A 11 2.362 -10.909 -2.387 1.00 53.45 C ATOM 152 C LEU A 11 2.210 -12.401 -2.101 1.00 25.11 C ATOM 153 O LEU A 11 2.449 -13.236 -2.973 1.00 5.44 O ATOM 154 CB LEU A 11 3.840 -10.517 -2.388 1.00 42.15 C ATOM 155 CG LEU A 11 4.181 -9.312 -3.266 1.00 3.45 C ATOM 156 CD1 LEU A 11 5.643 -8.921 -3.099 1.00 40.54 C ATOM 157 CD2 LEU A 11 3.869 -9.615 -4.724 1.00 3.13 C ATOM 0 H LEU A 11 2.203 -9.747 -0.650 1.00 50.21 H new ATOM 0 HA LEU A 11 1.941 -10.711 -3.373 1.00 53.45 H new ATOM 0 HB2 LEU A 11 4.145 -10.301 -1.364 1.00 42.15 H new ATOM 0 HB3 LEU A 11 4.428 -11.371 -2.723 1.00 42.15 H new ATOM 0 HG LEU A 11 3.567 -8.469 -2.949 1.00 3.45 H new ATOM 0 HD11 LEU A 11 5.864 -8.062 -3.732 1.00 40.54 H new ATOM 0 HD12 LEU A 11 5.834 -8.663 -2.057 1.00 40.54 H new ATOM 0 HD13 LEU A 11 6.279 -9.758 -3.388 1.00 40.54 H new ATOM 0 HD21 LEU A 11 4.117 -8.748 -5.337 1.00 3.13 H new ATOM 0 HD22 LEU A 11 4.458 -10.472 -5.052 1.00 3.13 H new ATOM 0 HD23 LEU A 11 2.808 -9.843 -4.829 1.00 3.13 H new ATOM 169 N VAL A 12 1.809 -12.733 -0.875 1.00 72.05 N ATOM 170 CA VAL A 12 1.625 -14.126 -0.483 1.00 61.41 C ATOM 171 C VAL A 12 0.246 -14.361 0.137 1.00 70.23 C ATOM 172 O VAL A 12 -0.069 -15.474 0.557 1.00 21.03 O ATOM 173 CB VAL A 12 2.707 -14.575 0.516 1.00 12.31 C ATOM 174 CG1 VAL A 12 4.082 -14.543 -0.133 1.00 64.41 C ATOM 175 CG2 VAL A 12 2.677 -13.706 1.764 1.00 31.11 C ATOM 0 H VAL A 12 1.606 -12.057 -0.139 1.00 72.05 H new ATOM 0 HA VAL A 12 1.709 -14.718 -1.395 1.00 61.41 H new ATOM 0 HB VAL A 12 2.496 -15.602 0.813 1.00 12.31 H new ATOM 0 HG11 VAL A 12 4.833 -14.864 0.589 1.00 64.41 H new ATOM 0 HG12 VAL A 12 4.095 -15.214 -0.992 1.00 64.41 H new ATOM 0 HG13 VAL A 12 4.305 -13.528 -0.462 1.00 64.41 H new ATOM 0 HG21 VAL A 12 3.449 -14.039 2.458 1.00 31.11 H new ATOM 0 HG22 VAL A 12 2.860 -12.667 1.489 1.00 31.11 H new ATOM 0 HG23 VAL A 12 1.700 -13.788 2.241 1.00 31.11 H new ATOM 185 N GLU A 13 -0.574 -13.312 0.193 1.00 30.51 N ATOM 186 CA GLU A 13 -1.914 -13.419 0.763 1.00 62.23 C ATOM 187 C GLU A 13 -2.916 -12.607 -0.050 1.00 71.05 C ATOM 188 O GLU A 13 -2.546 -11.906 -0.992 1.00 13.44 O ATOM 189 CB GLU A 13 -1.926 -12.929 2.214 1.00 35.34 C ATOM 190 CG GLU A 13 -0.974 -13.680 3.129 1.00 12.21 C ATOM 191 CD GLU A 13 -0.128 -12.757 3.982 1.00 22.13 C ATOM 192 OE1 GLU A 13 -0.640 -12.259 5.006 1.00 73.11 O ATOM 193 OE2 GLU A 13 1.048 -12.531 3.626 1.00 73.20 O ATOM 0 H GLU A 13 -0.334 -12.381 -0.149 1.00 30.51 H new ATOM 0 HA GLU A 13 -2.201 -14.470 0.736 1.00 62.23 H new ATOM 0 HB2 GLU A 13 -1.670 -11.870 2.231 1.00 35.34 H new ATOM 0 HB3 GLU A 13 -2.938 -13.018 2.608 1.00 35.34 H new ATOM 0 HG2 GLU A 13 -1.547 -14.342 3.777 1.00 12.21 H new ATOM 0 HG3 GLU A 13 -0.321 -14.311 2.527 1.00 12.21 H new ATOM 200 N GLU A 14 -4.187 -12.698 0.330 1.00 64.30 N ATOM 201 CA GLU A 14 -5.243 -11.961 -0.353 1.00 13.44 C ATOM 202 C GLU A 14 -5.422 -10.591 0.287 1.00 41.45 C ATOM 203 O GLU A 14 -5.724 -10.488 1.475 1.00 52.02 O ATOM 204 CB GLU A 14 -6.562 -12.733 -0.304 1.00 52.51 C ATOM 205 CG GLU A 14 -6.395 -14.244 -0.356 1.00 60.12 C ATOM 206 CD GLU A 14 -7.694 -14.964 -0.662 1.00 4.11 C ATOM 207 OE1 GLU A 14 -8.588 -14.341 -1.273 1.00 13.01 O ATOM 208 OE2 GLU A 14 -7.816 -16.150 -0.292 1.00 61.43 O ATOM 0 H GLU A 14 -4.510 -13.275 1.107 1.00 64.30 H new ATOM 0 HA GLU A 14 -4.953 -11.836 -1.396 1.00 13.44 H new ATOM 0 HB2 GLU A 14 -7.093 -12.467 0.610 1.00 52.51 H new ATOM 0 HB3 GLU A 14 -7.187 -12.418 -1.139 1.00 52.51 H new ATOM 0 HG2 GLU A 14 -5.655 -14.498 -1.115 1.00 60.12 H new ATOM 0 HG3 GLU A 14 -6.005 -14.596 0.599 1.00 60.12 H new ATOM 215 N PHE A 15 -5.222 -9.542 -0.500 1.00 62.02 N ATOM 216 CA PHE A 15 -5.348 -8.179 0.003 1.00 62.31 C ATOM 217 C PHE A 15 -6.614 -7.506 -0.515 1.00 64.22 C ATOM 218 O PHE A 15 -7.163 -7.893 -1.545 1.00 62.13 O ATOM 219 CB PHE A 15 -4.114 -7.358 -0.382 1.00 15.21 C ATOM 220 CG PHE A 15 -4.127 -6.862 -1.801 1.00 71.32 C ATOM 221 CD1 PHE A 15 -4.836 -5.721 -2.141 1.00 73.42 C ATOM 222 CD2 PHE A 15 -3.432 -7.535 -2.793 1.00 11.34 C ATOM 223 CE1 PHE A 15 -4.851 -5.260 -3.443 1.00 0.35 C ATOM 224 CE2 PHE A 15 -3.443 -7.078 -4.097 1.00 35.01 C ATOM 225 CZ PHE A 15 -4.154 -5.940 -4.423 1.00 31.13 C ATOM 0 H PHE A 15 -4.972 -9.608 -1.487 1.00 62.02 H new ATOM 0 HA PHE A 15 -5.420 -8.229 1.089 1.00 62.31 H new ATOM 0 HB2 PHE A 15 -4.035 -6.503 0.290 1.00 15.21 H new ATOM 0 HB3 PHE A 15 -3.223 -7.967 -0.229 1.00 15.21 H new ATOM 0 HD1 PHE A 15 -5.383 -5.186 -1.379 1.00 73.42 H new ATOM 0 HD2 PHE A 15 -2.876 -8.427 -2.544 1.00 11.34 H new ATOM 0 HE1 PHE A 15 -5.407 -4.369 -3.695 1.00 0.35 H new ATOM 0 HE2 PHE A 15 -2.896 -7.611 -4.861 1.00 35.01 H new ATOM 0 HZ PHE A 15 -4.165 -5.582 -5.442 1.00 31.13 H new ATOM 235 N VAL A 16 -7.064 -6.491 0.214 1.00 2.41 N ATOM 236 CA VAL A 16 -8.260 -5.750 -0.161 1.00 31.43 C ATOM 237 C VAL A 16 -8.040 -4.250 0.000 1.00 22.11 C ATOM 238 O VAL A 16 -7.794 -3.765 1.105 1.00 75.14 O ATOM 239 CB VAL A 16 -9.475 -6.172 0.686 1.00 42.12 C ATOM 240 CG1 VAL A 16 -10.033 -7.500 0.197 1.00 43.11 C ATOM 241 CG2 VAL A 16 -9.102 -6.251 2.159 1.00 44.24 C ATOM 0 H VAL A 16 -6.617 -6.163 1.070 1.00 2.41 H new ATOM 0 HA VAL A 16 -8.462 -5.980 -1.207 1.00 31.43 H new ATOM 0 HB VAL A 16 -10.251 -5.415 0.574 1.00 42.12 H new ATOM 0 HG11 VAL A 16 -10.891 -7.781 0.808 1.00 43.11 H new ATOM 0 HG12 VAL A 16 -10.344 -7.403 -0.843 1.00 43.11 H new ATOM 0 HG13 VAL A 16 -9.264 -8.269 0.275 1.00 43.11 H new ATOM 0 HG21 VAL A 16 -9.974 -6.551 2.740 1.00 44.24 H new ATOM 0 HG22 VAL A 16 -8.307 -6.984 2.294 1.00 44.24 H new ATOM 0 HG23 VAL A 16 -8.757 -5.275 2.500 1.00 44.24 H new ATOM 251 N VAL A 17 -8.126 -3.518 -1.106 1.00 45.11 N ATOM 252 CA VAL A 17 -7.932 -2.073 -1.077 1.00 30.33 C ATOM 253 C VAL A 17 -8.950 -1.398 -0.168 1.00 63.52 C ATOM 254 O VAL A 17 -10.054 -1.063 -0.595 1.00 3.11 O ATOM 255 CB VAL A 17 -8.034 -1.457 -2.487 1.00 32.22 C ATOM 256 CG1 VAL A 17 -7.635 0.013 -2.456 1.00 52.00 C ATOM 257 CG2 VAL A 17 -7.173 -2.231 -3.475 1.00 3.11 C ATOM 0 H VAL A 17 -8.328 -3.900 -2.030 1.00 45.11 H new ATOM 0 HA VAL A 17 -6.929 -1.902 -0.687 1.00 30.33 H new ATOM 0 HB VAL A 17 -9.070 -1.523 -2.818 1.00 32.22 H new ATOM 0 HG11 VAL A 17 -7.713 0.432 -3.459 1.00 52.00 H new ATOM 0 HG12 VAL A 17 -8.299 0.556 -1.783 1.00 52.00 H new ATOM 0 HG13 VAL A 17 -6.608 0.104 -2.103 1.00 52.00 H new ATOM 0 HG21 VAL A 17 -7.259 -1.780 -4.464 1.00 3.11 H new ATOM 0 HG22 VAL A 17 -6.132 -2.201 -3.152 1.00 3.11 H new ATOM 0 HG23 VAL A 17 -7.510 -3.267 -3.518 1.00 3.11 H new ATOM 267 N ALA A 18 -8.564 -1.189 1.087 1.00 24.25 N ATOM 268 CA ALA A 18 -9.437 -0.540 2.055 1.00 24.50 C ATOM 269 C ALA A 18 -9.269 0.973 1.991 1.00 10.51 C ATOM 270 O ALA A 18 -10.198 1.728 2.281 1.00 72.45 O ATOM 271 CB ALA A 18 -9.144 -1.049 3.459 1.00 51.34 C ATOM 0 H ALA A 18 -7.652 -1.460 1.456 1.00 24.25 H new ATOM 0 HA ALA A 18 -10.470 -0.784 1.808 1.00 24.50 H new ATOM 0 HB1 ALA A 18 -9.805 -0.554 4.171 1.00 51.34 H new ATOM 0 HB2 ALA A 18 -9.310 -2.126 3.498 1.00 51.34 H new ATOM 0 HB3 ALA A 18 -8.107 -0.832 3.716 1.00 51.34 H new ATOM 277 N GLU A 19 -8.075 1.405 1.600 1.00 44.14 N ATOM 278 CA GLU A 19 -7.768 2.825 1.485 1.00 31.20 C ATOM 279 C GLU A 19 -7.060 3.112 0.166 1.00 13.33 C ATOM 280 O GLU A 19 -5.919 2.696 -0.035 1.00 51.44 O ATOM 281 CB GLU A 19 -6.889 3.272 2.655 1.00 2.32 C ATOM 282 CG GLU A 19 -7.425 2.856 4.016 1.00 73.04 C ATOM 283 CD GLU A 19 -7.677 4.039 4.931 1.00 2.05 C ATOM 284 OE1 GLU A 19 -6.727 4.810 5.178 1.00 12.41 O ATOM 285 OE2 GLU A 19 -8.823 4.192 5.401 1.00 60.55 O ATOM 0 H GLU A 19 -7.300 0.788 1.356 1.00 44.14 H new ATOM 0 HA GLU A 19 -8.704 3.383 1.510 1.00 31.20 H new ATOM 0 HB2 GLU A 19 -5.889 2.857 2.526 1.00 2.32 H new ATOM 0 HB3 GLU A 19 -6.790 4.357 2.630 1.00 2.32 H new ATOM 0 HG2 GLU A 19 -8.353 2.301 3.882 1.00 73.04 H new ATOM 0 HG3 GLU A 19 -6.714 2.179 4.491 1.00 73.04 H new ATOM 292 N GLU A 20 -7.737 3.824 -0.731 1.00 40.43 N ATOM 293 CA GLU A 20 -7.159 4.163 -2.028 1.00 21.44 C ATOM 294 C GLU A 20 -5.757 4.733 -1.856 1.00 4.42 C ATOM 295 O GLU A 20 -5.340 5.041 -0.739 1.00 22.04 O ATOM 296 CB GLU A 20 -8.049 5.164 -2.764 1.00 70.02 C ATOM 297 CG GLU A 20 -9.412 4.604 -3.142 1.00 42.32 C ATOM 298 CD GLU A 20 -10.364 5.674 -3.638 1.00 42.34 C ATOM 299 OE1 GLU A 20 -9.919 6.559 -4.399 1.00 12.54 O ATOM 300 OE2 GLU A 20 -11.556 5.628 -3.266 1.00 64.14 O ATOM 0 H GLU A 20 -8.683 4.176 -0.584 1.00 40.43 H new ATOM 0 HA GLU A 20 -7.093 3.252 -2.622 1.00 21.44 H new ATOM 0 HB2 GLU A 20 -8.188 6.044 -2.136 1.00 70.02 H new ATOM 0 HB3 GLU A 20 -7.538 5.495 -3.668 1.00 70.02 H new ATOM 0 HG2 GLU A 20 -9.288 3.846 -3.916 1.00 42.32 H new ATOM 0 HG3 GLU A 20 -9.849 4.107 -2.276 1.00 42.32 H new ATOM 307 N CYS A 21 -5.022 4.856 -2.955 1.00 30.53 N ATOM 308 CA CYS A 21 -3.662 5.370 -2.886 1.00 64.42 C ATOM 309 C CYS A 21 -3.622 6.878 -3.109 1.00 40.01 C ATOM 310 O CYS A 21 -4.375 7.420 -3.918 1.00 62.45 O ATOM 311 CB CYS A 21 -2.756 4.653 -3.889 1.00 45.44 C ATOM 312 SG CYS A 21 -3.163 4.955 -5.636 1.00 71.30 S ATOM 0 H CYS A 21 -5.340 4.610 -3.892 1.00 30.53 H new ATOM 0 HA CYS A 21 -3.288 5.172 -1.881 1.00 64.42 H new ATOM 0 HB2 CYS A 21 -1.726 4.962 -3.712 1.00 45.44 H new ATOM 0 HB3 CYS A 21 -2.805 3.581 -3.699 1.00 45.44 H new ATOM 317 N SER A 22 -2.738 7.547 -2.375 1.00 65.32 N ATOM 318 CA SER A 22 -2.592 8.997 -2.472 1.00 10.12 C ATOM 319 C SER A 22 -1.121 9.395 -2.571 1.00 65.14 C ATOM 320 O SER A 22 -0.232 8.595 -2.281 1.00 32.50 O ATOM 321 CB SER A 22 -3.238 9.675 -1.264 1.00 25.22 C ATOM 322 OG SER A 22 -4.580 10.041 -1.540 1.00 65.11 O ATOM 0 H SER A 22 -2.109 7.106 -1.704 1.00 65.32 H new ATOM 0 HA SER A 22 -3.097 9.328 -3.380 1.00 10.12 H new ATOM 0 HB2 SER A 22 -3.211 9.001 -0.407 1.00 25.22 H new ATOM 0 HB3 SER A 22 -2.665 10.561 -0.991 1.00 25.22 H new ATOM 0 HG SER A 22 -4.971 10.471 -0.751 1.00 65.11 H new ATOM 328 N PRO A 23 -0.844 10.646 -2.982 1.00 12.03 N ATOM 329 CA PRO A 23 0.524 11.156 -3.123 1.00 21.13 C ATOM 330 C PRO A 23 1.385 10.874 -1.896 1.00 45.21 C ATOM 331 O PRO A 23 0.873 10.600 -0.811 1.00 51.53 O ATOM 332 CB PRO A 23 0.339 12.671 -3.315 1.00 35.35 C ATOM 333 CG PRO A 23 -1.104 12.943 -3.037 1.00 55.13 C ATOM 334 CD PRO A 23 -1.833 11.668 -3.342 1.00 54.30 C ATOM 0 HA PRO A 23 1.045 10.674 -3.950 1.00 21.13 H new ATOM 0 HB2 PRO A 23 0.981 13.233 -2.636 1.00 35.35 H new ATOM 0 HB3 PRO A 23 0.606 12.972 -4.328 1.00 35.35 H new ATOM 0 HG2 PRO A 23 -1.252 13.238 -1.998 1.00 55.13 H new ATOM 0 HG3 PRO A 23 -1.473 13.761 -3.656 1.00 55.13 H new ATOM 0 HD2 PRO A 23 -2.747 11.573 -2.756 1.00 54.30 H new ATOM 0 HD3 PRO A 23 -2.119 11.605 -4.392 1.00 54.30 H new ATOM 342 N CYS A 24 2.699 10.945 -2.082 1.00 64.21 N ATOM 343 CA CYS A 24 3.644 10.700 -0.999 1.00 41.12 C ATOM 344 C CYS A 24 4.365 11.986 -0.607 1.00 42.30 C ATOM 345 O CYS A 24 5.063 12.590 -1.422 1.00 75.22 O ATOM 346 CB CYS A 24 4.662 9.639 -1.421 1.00 22.43 C ATOM 347 SG CYS A 24 3.924 8.036 -1.872 1.00 62.54 S ATOM 0 H CYS A 24 3.135 11.171 -2.976 1.00 64.21 H new ATOM 0 HA CYS A 24 3.087 10.339 -0.134 1.00 41.12 H new ATOM 0 HB2 CYS A 24 5.232 10.016 -2.270 1.00 22.43 H new ATOM 0 HB3 CYS A 24 5.369 9.485 -0.606 1.00 22.43 H new ATOM 352 N SER A 25 4.192 12.400 0.644 1.00 62.44 N ATOM 353 CA SER A 25 4.827 13.616 1.143 1.00 2.22 C ATOM 354 C SER A 25 6.341 13.554 0.969 1.00 70.25 C ATOM 355 O SER A 25 6.864 12.660 0.302 1.00 14.45 O ATOM 356 CB SER A 25 4.481 13.826 2.619 1.00 74.44 C ATOM 357 OG SER A 25 4.293 15.201 2.907 1.00 60.02 O ATOM 0 H SER A 25 3.618 11.912 1.331 1.00 62.44 H new ATOM 0 HA SER A 25 4.448 14.457 0.562 1.00 2.22 H new ATOM 0 HB2 SER A 25 3.575 13.272 2.866 1.00 74.44 H new ATOM 0 HB3 SER A 25 5.280 13.426 3.244 1.00 74.44 H new ATOM 0 HG SER A 25 4.071 15.309 3.855 1.00 60.02 H new ATOM 363 N ASN A 26 7.042 14.509 1.572 1.00 2.45 N ATOM 364 CA ASN A 26 8.497 14.564 1.482 1.00 61.34 C ATOM 365 C ASN A 26 9.123 13.280 2.017 1.00 52.52 C ATOM 366 O ASN A 26 9.883 12.610 1.316 1.00 3.14 O ATOM 367 CB ASN A 26 9.031 15.769 2.259 1.00 2.43 C ATOM 368 CG ASN A 26 8.769 17.080 1.545 1.00 24.53 C ATOM 369 OD1 ASN A 26 7.669 17.320 1.049 1.00 4.30 O ATOM 370 ND2 ASN A 26 9.782 17.937 1.490 1.00 71.53 N ATOM 0 H ASN A 26 6.626 15.256 2.128 1.00 2.45 H new ATOM 0 HA ASN A 26 8.769 14.669 0.432 1.00 61.34 H new ATOM 0 HB2 ASN A 26 8.567 15.797 3.245 1.00 2.43 H new ATOM 0 HB3 ASN A 26 10.103 15.651 2.414 1.00 2.43 H new ATOM 0 HD21 ASN A 26 9.665 18.836 1.023 1.00 71.53 H new ATOM 0 HD22 ASN A 26 10.677 17.696 1.915 1.00 71.53 H new ATOM 377 N PHE A 27 8.799 12.943 3.260 1.00 41.14 N ATOM 378 CA PHE A 27 9.330 11.738 3.888 1.00 41.32 C ATOM 379 C PHE A 27 8.574 10.500 3.413 1.00 71.23 C ATOM 380 O PHE A 27 9.119 9.397 3.393 1.00 42.14 O ATOM 381 CB PHE A 27 9.242 11.851 5.411 1.00 24.41 C ATOM 382 CG PHE A 27 10.429 12.532 6.031 1.00 14.35 C ATOM 383 CD1 PHE A 27 11.544 11.802 6.411 1.00 4.42 C ATOM 384 CD2 PHE A 27 10.429 13.903 6.233 1.00 64.20 C ATOM 385 CE1 PHE A 27 12.637 12.427 6.982 1.00 72.30 C ATOM 386 CE2 PHE A 27 11.518 14.533 6.804 1.00 5.30 C ATOM 387 CZ PHE A 27 12.623 13.793 7.178 1.00 64.12 C ATOM 0 H PHE A 27 8.172 13.486 3.853 1.00 41.14 H new ATOM 0 HA PHE A 27 10.376 11.637 3.598 1.00 41.32 H new ATOM 0 HB2 PHE A 27 8.339 12.401 5.675 1.00 24.41 H new ATOM 0 HB3 PHE A 27 9.143 10.852 5.836 1.00 24.41 H new ATOM 0 HD1 PHE A 27 11.559 10.733 6.259 1.00 4.42 H new ATOM 0 HD2 PHE A 27 9.568 14.486 5.941 1.00 64.20 H new ATOM 0 HE1 PHE A 27 13.500 11.847 7.274 1.00 72.30 H new ATOM 0 HE2 PHE A 27 11.505 15.602 6.958 1.00 5.30 H new ATOM 0 HZ PHE A 27 13.476 14.283 7.624 1.00 64.12 H new ATOM 397 N ARG A 28 7.314 10.691 3.033 1.00 22.22 N ATOM 398 CA ARG A 28 6.481 9.592 2.560 1.00 53.32 C ATOM 399 C ARG A 28 7.105 8.921 1.339 1.00 23.30 C ATOM 400 O ARG A 28 7.249 7.699 1.296 1.00 30.43 O ATOM 401 CB ARG A 28 5.080 10.100 2.217 1.00 15.32 C ATOM 402 CG ARG A 28 3.969 9.144 2.617 1.00 53.34 C ATOM 403 CD ARG A 28 4.165 7.770 1.997 1.00 33.12 C ATOM 404 NE ARG A 28 3.297 6.766 2.607 1.00 10.41 N ATOM 405 CZ ARG A 28 3.549 6.178 3.775 1.00 5.44 C ATOM 406 NH1 ARG A 28 4.640 6.492 4.462 1.00 3.24 N ATOM 407 NH2 ARG A 28 2.707 5.275 4.257 1.00 51.31 N ATOM 0 H ARG A 28 6.848 11.598 3.044 1.00 22.22 H new ATOM 0 HA ARG A 28 6.408 8.854 3.359 1.00 53.32 H new ATOM 0 HB2 ARG A 28 4.919 11.058 2.712 1.00 15.32 H new ATOM 0 HB3 ARG A 28 5.022 10.282 1.144 1.00 15.32 H new ATOM 0 HG2 ARG A 28 3.939 9.053 3.703 1.00 53.34 H new ATOM 0 HG3 ARG A 28 3.007 9.551 2.305 1.00 53.34 H new ATOM 0 HD2 ARG A 28 3.963 7.823 0.927 1.00 33.12 H new ATOM 0 HD3 ARG A 28 5.206 7.466 2.110 1.00 33.12 H new ATOM 0 HE ARG A 28 2.448 6.500 2.109 1.00 10.41 H new ATOM 0 HH11 ARG A 28 5.291 7.187 4.096 1.00 3.24 H new ATOM 0 HH12 ARG A 28 4.828 6.038 5.356 1.00 3.24 H new ATOM 0 HH21 ARG A 28 1.866 5.031 3.733 1.00 51.31 H new ATOM 0 HH22 ARG A 28 2.900 4.824 5.152 1.00 51.31 H new ATOM 421 N ALA A 29 7.472 9.726 0.349 1.00 64.15 N ATOM 422 CA ALA A 29 8.078 9.210 -0.874 1.00 43.54 C ATOM 423 C ALA A 29 9.521 8.773 -0.640 1.00 41.43 C ATOM 424 O ALA A 29 10.040 7.910 -1.348 1.00 0.32 O ATOM 425 CB ALA A 29 8.016 10.258 -1.975 1.00 22.10 C ATOM 0 H ALA A 29 7.361 10.740 0.369 1.00 64.15 H new ATOM 0 HA ALA A 29 7.510 8.333 -1.185 1.00 43.54 H new ATOM 0 HB1 ALA A 29 8.471 9.860 -2.882 1.00 22.10 H new ATOM 0 HB2 ALA A 29 6.976 10.515 -2.174 1.00 22.10 H new ATOM 0 HB3 ALA A 29 8.556 11.150 -1.659 1.00 22.10 H new ATOM 431 N LYS A 30 10.166 9.374 0.354 1.00 63.32 N ATOM 432 CA LYS A 30 11.552 9.046 0.674 1.00 21.21 C ATOM 433 C LYS A 30 11.639 7.766 1.502 1.00 71.31 C ATOM 434 O LYS A 30 12.664 7.084 1.497 1.00 20.25 O ATOM 435 CB LYS A 30 12.209 10.203 1.430 1.00 54.31 C ATOM 436 CG LYS A 30 13.048 11.108 0.544 1.00 43.22 C ATOM 437 CD LYS A 30 12.210 12.211 -0.081 1.00 73.04 C ATOM 438 CE LYS A 30 12.930 12.863 -1.250 1.00 54.22 C ATOM 439 NZ LYS A 30 12.482 12.308 -2.558 1.00 13.54 N ATOM 0 H LYS A 30 9.753 10.090 0.952 1.00 63.32 H new ATOM 0 HA LYS A 30 12.083 8.883 -0.264 1.00 21.21 H new ATOM 0 HB2 LYS A 30 11.434 10.798 1.913 1.00 54.31 H new ATOM 0 HB3 LYS A 30 12.839 9.798 2.222 1.00 54.31 H new ATOM 0 HG2 LYS A 30 13.852 11.550 1.132 1.00 43.22 H new ATOM 0 HG3 LYS A 30 13.516 10.516 -0.242 1.00 43.22 H new ATOM 0 HD2 LYS A 30 11.260 11.799 -0.421 1.00 73.04 H new ATOM 0 HD3 LYS A 30 11.979 12.965 0.672 1.00 73.04 H new ATOM 0 HE2 LYS A 30 12.752 13.938 -1.232 1.00 54.22 H new ATOM 0 HE3 LYS A 30 14.005 12.716 -1.142 1.00 54.22 H new ATOM 0 HZ1 LYS A 30 12.997 12.779 -3.329 1.00 13.54 H new ATOM 0 HZ2 LYS A 30 12.675 11.286 -2.586 1.00 13.54 H new ATOM 0 HZ3 LYS A 30 11.461 12.471 -2.673 1.00 13.54 H new ATOM 453 N THR A 31 10.564 7.447 2.216 1.00 61.53 N ATOM 454 CA THR A 31 10.531 6.250 3.050 1.00 13.24 C ATOM 455 C THR A 31 9.755 5.126 2.371 1.00 42.45 C ATOM 456 O THR A 31 10.037 3.947 2.587 1.00 34.10 O ATOM 457 CB THR A 31 9.903 6.569 4.408 1.00 11.02 C ATOM 458 OG1 THR A 31 10.349 7.825 4.884 1.00 32.44 O ATOM 459 CG2 THR A 31 10.216 5.537 5.470 1.00 22.32 C ATOM 0 H THR A 31 9.706 7.999 2.234 1.00 61.53 H new ATOM 0 HA THR A 31 11.558 5.916 3.198 1.00 13.24 H new ATOM 0 HB THR A 31 8.827 6.572 4.235 1.00 11.02 H new ATOM 0 HG1 THR A 31 9.695 8.515 4.648 1.00 32.44 H new ATOM 0 HG21 THR A 31 9.740 5.824 6.408 1.00 22.32 H new ATOM 0 HG22 THR A 31 9.838 4.564 5.155 1.00 22.32 H new ATOM 0 HG23 THR A 31 11.295 5.478 5.613 1.00 22.32 H new ATOM 467 N THR A 32 8.775 5.495 1.553 1.00 45.15 N ATOM 468 CA THR A 32 7.959 4.512 0.848 1.00 43.11 C ATOM 469 C THR A 32 8.398 4.377 -0.610 1.00 2.54 C ATOM 470 O THR A 32 8.296 5.328 -1.385 1.00 63.31 O ATOM 471 CB THR A 32 6.483 4.909 0.909 1.00 61.10 C ATOM 472 OG1 THR A 32 6.059 5.057 2.253 1.00 32.05 O ATOM 473 CG2 THR A 32 5.565 3.906 0.245 1.00 2.45 C ATOM 0 H THR A 32 8.526 6.466 1.362 1.00 45.15 H new ATOM 0 HA THR A 32 8.094 3.548 1.339 1.00 43.11 H new ATOM 0 HB THR A 32 6.415 5.852 0.367 1.00 61.10 H new ATOM 0 HG1 THR A 32 5.232 4.551 2.393 1.00 32.05 H new ATOM 0 HG21 THR A 32 4.533 4.249 0.324 1.00 2.45 H new ATOM 0 HG22 THR A 32 5.834 3.807 -0.806 1.00 2.45 H new ATOM 0 HG23 THR A 32 5.665 2.939 0.738 1.00 2.45 H new ATOM 481 N PRO A 33 8.892 3.189 -1.010 1.00 11.43 N ATOM 482 CA PRO A 33 9.340 2.946 -2.384 1.00 45.13 C ATOM 483 C PRO A 33 8.179 2.815 -3.367 1.00 31.43 C ATOM 484 O PRO A 33 8.389 2.692 -4.573 1.00 12.40 O ATOM 485 CB PRO A 33 10.098 1.625 -2.279 1.00 10.30 C ATOM 486 CG PRO A 33 9.474 0.921 -1.124 1.00 12.03 C ATOM 487 CD PRO A 33 9.051 1.994 -0.157 1.00 41.42 C ATOM 0 HA PRO A 33 9.939 3.773 -2.766 1.00 45.13 H new ATOM 0 HB2 PRO A 33 10.006 1.042 -3.195 1.00 10.30 H new ATOM 0 HB3 PRO A 33 11.162 1.791 -2.113 1.00 10.30 H new ATOM 0 HG2 PRO A 33 8.618 0.328 -1.446 1.00 12.03 H new ATOM 0 HG3 PRO A 33 10.181 0.234 -0.659 1.00 12.03 H new ATOM 0 HD2 PRO A 33 8.120 1.735 0.347 1.00 41.42 H new ATOM 0 HD3 PRO A 33 9.800 2.152 0.619 1.00 41.42 H new ATOM 495 N GLU A 34 6.953 2.845 -2.848 1.00 11.32 N ATOM 496 CA GLU A 34 5.767 2.732 -3.689 1.00 53.25 C ATOM 497 C GLU A 34 5.281 4.110 -4.131 1.00 10.23 C ATOM 498 O GLU A 34 4.079 4.368 -4.183 1.00 54.24 O ATOM 499 CB GLU A 34 4.653 2.000 -2.938 1.00 63.21 C ATOM 500 CG GLU A 34 4.701 0.489 -3.100 1.00 20.42 C ATOM 501 CD GLU A 34 5.326 -0.207 -1.908 1.00 61.21 C ATOM 502 OE1 GLU A 34 5.244 0.344 -0.789 1.00 71.10 O ATOM 503 OE2 GLU A 34 5.895 -1.303 -2.090 1.00 20.23 O ATOM 0 H GLU A 34 6.757 2.946 -1.852 1.00 11.32 H new ATOM 0 HA GLU A 34 6.033 2.159 -4.577 1.00 53.25 H new ATOM 0 HB2 GLU A 34 4.719 2.246 -1.878 1.00 63.21 H new ATOM 0 HB3 GLU A 34 3.688 2.364 -3.291 1.00 63.21 H new ATOM 0 HG2 GLU A 34 3.689 0.111 -3.247 1.00 20.42 H new ATOM 0 HG3 GLU A 34 5.267 0.242 -3.998 1.00 20.42 H new ATOM 510 N CYS A 35 6.224 4.989 -4.449 1.00 34.03 N ATOM 511 CA CYS A 35 5.897 6.339 -4.888 1.00 51.31 C ATOM 512 C CYS A 35 6.686 6.719 -6.141 1.00 2.43 C ATOM 513 O CYS A 35 6.678 7.875 -6.562 1.00 20.32 O ATOM 514 CB CYS A 35 6.185 7.337 -3.767 1.00 24.41 C ATOM 515 SG CYS A 35 5.533 6.829 -2.142 1.00 51.41 S ATOM 0 H CYS A 35 7.224 4.790 -4.411 1.00 34.03 H new ATOM 0 HA CYS A 35 4.835 6.368 -5.134 1.00 51.31 H new ATOM 0 HB2 CYS A 35 7.263 7.478 -3.687 1.00 24.41 H new ATOM 0 HB3 CYS A 35 5.756 8.303 -4.034 1.00 24.41 H new ATOM 520 N GLY A 36 7.369 5.739 -6.731 1.00 63.22 N ATOM 521 CA GLY A 36 8.154 5.997 -7.925 1.00 52.33 C ATOM 522 C GLY A 36 7.314 6.039 -9.188 1.00 55.01 C ATOM 523 O GLY A 36 7.428 6.978 -9.977 1.00 64.32 O ATOM 0 H GLY A 36 7.392 4.773 -6.403 1.00 63.22 H new ATOM 0 HA2 GLY A 36 8.677 6.946 -7.811 1.00 52.33 H new ATOM 0 HA3 GLY A 36 8.915 5.224 -8.027 1.00 52.33 H new ATOM 527 N PRO A 37 6.461 5.026 -9.417 1.00 73.14 N ATOM 528 CA PRO A 37 5.616 4.969 -10.610 1.00 23.15 C ATOM 529 C PRO A 37 4.418 5.921 -10.531 1.00 63.30 C ATOM 530 O PRO A 37 4.493 7.055 -11.005 1.00 0.41 O ATOM 531 CB PRO A 37 5.164 3.508 -10.656 1.00 62.32 C ATOM 532 CG PRO A 37 5.231 3.026 -9.244 1.00 11.42 C ATOM 533 CD PRO A 37 6.267 3.860 -8.536 1.00 1.33 C ATOM 0 HA PRO A 37 6.151 5.284 -11.506 1.00 23.15 H new ATOM 0 HB2 PRO A 37 4.152 3.422 -11.053 1.00 62.32 H new ATOM 0 HB3 PRO A 37 5.811 2.917 -11.304 1.00 62.32 H new ATOM 0 HG2 PRO A 37 4.260 3.124 -8.758 1.00 11.42 H new ATOM 0 HG3 PRO A 37 5.499 1.970 -9.210 1.00 11.42 H new ATOM 0 HD2 PRO A 37 5.926 4.162 -7.546 1.00 1.33 H new ATOM 0 HD3 PRO A 37 7.196 3.307 -8.398 1.00 1.33 H new ATOM 541 N THR A 38 3.318 5.462 -9.938 1.00 72.51 N ATOM 542 CA THR A 38 2.121 6.285 -9.811 1.00 5.33 C ATOM 543 C THR A 38 2.350 7.438 -8.843 1.00 31.43 C ATOM 544 O THR A 38 1.724 8.493 -8.960 1.00 73.30 O ATOM 545 CB THR A 38 0.941 5.442 -9.319 1.00 71.42 C ATOM 546 OG1 THR A 38 -0.194 6.256 -9.087 1.00 73.30 O ATOM 547 CG2 THR A 38 1.236 4.692 -8.039 1.00 44.04 C ATOM 0 H THR A 38 3.232 4.527 -9.539 1.00 72.51 H new ATOM 0 HA THR A 38 1.894 6.690 -10.797 1.00 5.33 H new ATOM 0 HB THR A 38 0.752 4.718 -10.111 1.00 71.42 H new ATOM 0 HG1 THR A 38 -0.960 5.691 -8.855 1.00 73.30 H new ATOM 0 HG21 THR A 38 0.359 4.115 -7.745 1.00 44.04 H new ATOM 0 HG22 THR A 38 2.078 4.018 -8.198 1.00 44.04 H new ATOM 0 HG23 THR A 38 1.484 5.402 -7.250 1.00 44.04 H new ATOM 555 N GLY A 39 3.228 7.222 -7.869 1.00 33.13 N ATOM 556 CA GLY A 39 3.494 8.245 -6.876 1.00 62.14 C ATOM 557 C GLY A 39 2.420 8.276 -5.803 1.00 14.14 C ATOM 558 O GLY A 39 2.482 9.074 -4.869 1.00 32.31 O ATOM 0 H GLY A 39 3.759 6.359 -7.750 1.00 33.13 H new ATOM 0 HA2 GLY A 39 4.464 8.062 -6.415 1.00 62.14 H new ATOM 0 HA3 GLY A 39 3.551 9.219 -7.362 1.00 62.14 H new ATOM 562 N TYR A 40 1.431 7.393 -5.946 1.00 12.43 N ATOM 563 CA TYR A 40 0.329 7.296 -5.001 1.00 72.12 C ATOM 564 C TYR A 40 0.393 5.965 -4.258 1.00 52.23 C ATOM 565 O TYR A 40 0.531 4.912 -4.878 1.00 63.24 O ATOM 566 CB TYR A 40 -1.006 7.404 -5.744 1.00 3.43 C ATOM 567 CG TYR A 40 -1.337 8.795 -6.244 1.00 2.20 C ATOM 568 CD1 TYR A 40 -0.411 9.541 -6.964 1.00 11.45 C ATOM 569 CD2 TYR A 40 -2.583 9.358 -6.000 1.00 71.14 C ATOM 570 CE1 TYR A 40 -0.718 10.807 -7.425 1.00 41.14 C ATOM 571 CE2 TYR A 40 -2.898 10.623 -6.457 1.00 4.45 C ATOM 572 CZ TYR A 40 -1.962 11.343 -7.169 1.00 61.44 C ATOM 573 OH TYR A 40 -2.272 12.603 -7.626 1.00 3.50 O ATOM 0 H TYR A 40 1.375 6.729 -6.719 1.00 12.43 H new ATOM 0 HA TYR A 40 0.409 8.112 -4.282 1.00 72.12 H new ATOM 0 HB2 TYR A 40 -0.991 6.721 -6.593 1.00 3.43 H new ATOM 0 HB3 TYR A 40 -1.804 7.071 -5.081 1.00 3.43 H new ATOM 0 HD1 TYR A 40 0.565 9.124 -7.166 1.00 11.45 H new ATOM 0 HD2 TYR A 40 -3.319 8.797 -5.443 1.00 71.14 H new ATOM 0 HE1 TYR A 40 0.013 11.374 -7.983 1.00 41.14 H new ATOM 0 HE2 TYR A 40 -3.872 11.046 -6.258 1.00 4.45 H new ATOM 0 HH TYR A 40 -3.188 12.831 -7.362 1.00 3.50 H new ATOM 583 N VAL A 41 0.291 6.008 -2.933 1.00 42.43 N ATOM 584 CA VAL A 41 0.340 4.788 -2.134 1.00 62.13 C ATOM 585 C VAL A 41 -0.975 4.547 -1.398 1.00 74.32 C ATOM 586 O VAL A 41 -1.531 5.457 -0.784 1.00 3.13 O ATOM 587 CB VAL A 41 1.490 4.822 -1.112 1.00 24.30 C ATOM 588 CG1 VAL A 41 2.830 4.957 -1.819 1.00 2.21 C ATOM 589 CG2 VAL A 41 1.290 5.953 -0.113 1.00 64.44 C ATOM 0 H VAL A 41 0.175 6.866 -2.394 1.00 42.43 H new ATOM 0 HA VAL A 41 0.513 3.970 -2.833 1.00 62.13 H new ATOM 0 HB VAL A 41 1.487 3.881 -0.562 1.00 24.30 H new ATOM 0 HG11 VAL A 41 3.631 4.979 -1.080 1.00 2.21 H new ATOM 0 HG12 VAL A 41 2.976 4.108 -2.487 1.00 2.21 H new ATOM 0 HG13 VAL A 41 2.845 5.881 -2.398 1.00 2.21 H new ATOM 0 HG21 VAL A 41 2.114 5.959 0.600 1.00 64.44 H new ATOM 0 HG22 VAL A 41 1.262 6.905 -0.642 1.00 64.44 H new ATOM 0 HG23 VAL A 41 0.350 5.806 0.420 1.00 64.44 H new ATOM 599 N GLU A 42 -1.464 3.311 -1.472 1.00 61.52 N ATOM 600 CA GLU A 42 -2.718 2.933 -0.827 1.00 3.23 C ATOM 601 C GLU A 42 -2.478 2.027 0.377 1.00 23.24 C ATOM 602 O GLU A 42 -1.340 1.691 0.702 1.00 50.54 O ATOM 603 CB GLU A 42 -3.632 2.217 -1.826 1.00 62.53 C ATOM 604 CG GLU A 42 -2.904 1.259 -2.753 1.00 13.02 C ATOM 605 CD GLU A 42 -2.400 0.022 -2.037 1.00 72.20 C ATOM 606 OE1 GLU A 42 -1.425 0.138 -1.266 1.00 2.41 O ATOM 607 OE2 GLU A 42 -2.981 -1.063 -2.248 1.00 31.14 O ATOM 0 H GLU A 42 -1.007 2.551 -1.976 1.00 61.52 H new ATOM 0 HA GLU A 42 -3.197 3.848 -0.479 1.00 3.23 H new ATOM 0 HB2 GLU A 42 -4.393 1.665 -1.275 1.00 62.53 H new ATOM 0 HB3 GLU A 42 -4.152 2.963 -2.427 1.00 62.53 H new ATOM 0 HG2 GLU A 42 -3.574 0.960 -3.559 1.00 13.02 H new ATOM 0 HG3 GLU A 42 -2.062 1.775 -3.214 1.00 13.02 H new ATOM 614 N LYS A 43 -3.570 1.630 1.023 1.00 11.22 N ATOM 615 CA LYS A 43 -3.501 0.754 2.186 1.00 62.41 C ATOM 616 C LYS A 43 -4.369 -0.484 1.974 1.00 53.12 C ATOM 617 O LYS A 43 -5.597 -0.407 2.004 1.00 1.11 O ATOM 618 CB LYS A 43 -3.950 1.499 3.445 1.00 42.13 C ATOM 619 CG LYS A 43 -3.006 1.325 4.623 1.00 13.50 C ATOM 620 CD LYS A 43 -3.149 2.460 5.626 1.00 11.04 C ATOM 621 CE LYS A 43 -3.114 1.948 7.056 1.00 11.11 C ATOM 622 NZ LYS A 43 -2.316 2.837 7.945 1.00 54.40 N ATOM 0 H LYS A 43 -4.517 1.903 0.759 1.00 11.22 H new ATOM 0 HA LYS A 43 -2.466 0.439 2.316 1.00 62.41 H new ATOM 0 HB2 LYS A 43 -4.040 2.561 3.216 1.00 42.13 H new ATOM 0 HB3 LYS A 43 -4.942 1.149 3.730 1.00 42.13 H new ATOM 0 HG2 LYS A 43 -3.210 0.375 5.116 1.00 13.50 H new ATOM 0 HG3 LYS A 43 -1.978 1.283 4.263 1.00 13.50 H new ATOM 0 HD2 LYS A 43 -2.346 3.182 5.477 1.00 11.04 H new ATOM 0 HD3 LYS A 43 -4.087 2.986 5.450 1.00 11.04 H new ATOM 0 HE2 LYS A 43 -4.132 1.871 7.439 1.00 11.11 H new ATOM 0 HE3 LYS A 43 -2.690 0.944 7.072 1.00 11.11 H new ATOM 0 HZ1 LYS A 43 -2.317 2.453 8.911 1.00 54.40 H new ATOM 0 HZ2 LYS A 43 -1.338 2.891 7.595 1.00 54.40 H new ATOM 0 HZ3 LYS A 43 -2.735 3.789 7.951 1.00 54.40 H new ATOM 636 N ILE A 44 -3.721 -1.623 1.759 1.00 32.43 N ATOM 637 CA ILE A 44 -4.435 -2.876 1.541 1.00 61.52 C ATOM 638 C ILE A 44 -4.208 -3.847 2.695 1.00 63.40 C ATOM 639 O ILE A 44 -3.077 -4.063 3.127 1.00 33.33 O ATOM 640 CB ILE A 44 -4.012 -3.553 0.217 1.00 31.32 C ATOM 641 CG1 ILE A 44 -2.488 -3.578 0.073 1.00 72.31 C ATOM 642 CG2 ILE A 44 -4.645 -2.837 -0.967 1.00 10.33 C ATOM 643 CD1 ILE A 44 -1.828 -4.712 0.826 1.00 31.45 C ATOM 0 H ILE A 44 -2.705 -1.705 1.731 1.00 32.43 H new ATOM 0 HA ILE A 44 -5.494 -2.626 1.483 1.00 61.52 H new ATOM 0 HB ILE A 44 -4.365 -4.584 0.235 1.00 31.32 H new ATOM 0 HG12 ILE A 44 -2.232 -3.657 -0.984 1.00 72.31 H new ATOM 0 HG13 ILE A 44 -2.082 -2.631 0.429 1.00 72.31 H new ATOM 0 HG21 ILE A 44 -4.339 -3.324 -1.893 1.00 10.33 H new ATOM 0 HG22 ILE A 44 -5.731 -2.877 -0.878 1.00 10.33 H new ATOM 0 HG23 ILE A 44 -4.320 -1.797 -0.979 1.00 10.33 H new ATOM 0 HD11 ILE A 44 -0.749 -4.667 0.679 1.00 31.45 H new ATOM 0 HD12 ILE A 44 -2.053 -4.623 1.889 1.00 31.45 H new ATOM 0 HD13 ILE A 44 -2.206 -5.664 0.454 1.00 31.45 H new ATOM 655 N THR A 45 -5.296 -4.426 3.195 1.00 55.41 N ATOM 656 CA THR A 45 -5.220 -5.373 4.303 1.00 51.25 C ATOM 657 C THR A 45 -5.292 -6.808 3.795 1.00 40.22 C ATOM 658 O THR A 45 -6.066 -7.117 2.889 1.00 1.12 O ATOM 659 CB THR A 45 -6.349 -5.115 5.300 1.00 15.12 C ATOM 660 OG1 THR A 45 -6.618 -3.728 5.407 1.00 3.01 O ATOM 661 CG2 THR A 45 -6.051 -5.632 6.691 1.00 42.42 C ATOM 0 H THR A 45 -6.241 -4.256 2.850 1.00 55.41 H new ATOM 0 HA THR A 45 -4.263 -5.231 4.805 1.00 51.25 H new ATOM 0 HB THR A 45 -7.209 -5.655 4.905 1.00 15.12 H new ATOM 0 HG1 THR A 45 -7.345 -3.584 6.049 1.00 3.01 H new ATOM 0 HG21 THR A 45 -6.894 -5.416 7.348 1.00 42.42 H new ATOM 0 HG22 THR A 45 -5.889 -6.709 6.652 1.00 42.42 H new ATOM 0 HG23 THR A 45 -5.156 -5.144 7.077 1.00 42.42 H new ATOM 669 N CYS A 46 -4.482 -7.683 4.383 1.00 64.32 N ATOM 670 CA CYS A 46 -4.458 -9.085 3.983 1.00 13.53 C ATOM 671 C CYS A 46 -5.351 -9.930 4.880 1.00 55.44 C ATOM 672 O CYS A 46 -5.119 -10.034 6.084 1.00 70.35 O ATOM 673 CB CYS A 46 -3.027 -9.627 4.015 1.00 22.14 C ATOM 674 SG CYS A 46 -1.950 -8.933 2.717 1.00 51.55 S ATOM 0 H CYS A 46 -3.836 -7.447 5.136 1.00 64.32 H new ATOM 0 HA CYS A 46 -4.840 -9.145 2.964 1.00 13.53 H new ATOM 0 HB2 CYS A 46 -2.589 -9.414 4.990 1.00 22.14 H new ATOM 0 HB3 CYS A 46 -3.056 -10.711 3.909 1.00 22.14 H new ATOM 679 N SER A 47 -6.369 -10.544 4.283 1.00 45.25 N ATOM 680 CA SER A 47 -7.292 -11.395 5.026 1.00 42.35 C ATOM 681 C SER A 47 -6.521 -12.389 5.886 1.00 14.03 C ATOM 682 O SER A 47 -6.987 -12.808 6.945 1.00 21.44 O ATOM 683 CB SER A 47 -8.218 -12.142 4.064 1.00 63.32 C ATOM 684 OG SER A 47 -8.959 -13.142 4.742 1.00 14.35 O ATOM 0 H SER A 47 -6.575 -10.468 3.287 1.00 45.25 H new ATOM 0 HA SER A 47 -7.897 -10.763 5.676 1.00 42.35 H new ATOM 0 HB2 SER A 47 -8.901 -11.437 3.591 1.00 63.32 H new ATOM 0 HB3 SER A 47 -7.629 -12.598 3.268 1.00 63.32 H new ATOM 0 HG SER A 47 -9.544 -13.604 4.106 1.00 14.35 H new ATOM 690 N SER A 48 -5.329 -12.749 5.422 1.00 3.45 N ATOM 691 CA SER A 48 -4.477 -13.678 6.144 1.00 4.33 C ATOM 692 C SER A 48 -3.637 -12.931 7.173 1.00 11.24 C ATOM 693 O SER A 48 -2.645 -12.287 6.832 1.00 45.14 O ATOM 694 CB SER A 48 -3.573 -14.439 5.173 1.00 32.31 C ATOM 695 OG SER A 48 -3.951 -15.803 5.086 1.00 44.11 O ATOM 0 H SER A 48 -4.933 -12.408 4.546 1.00 3.45 H new ATOM 0 HA SER A 48 -5.110 -14.398 6.664 1.00 4.33 H new ATOM 0 HB2 SER A 48 -3.626 -13.980 4.186 1.00 32.31 H new ATOM 0 HB3 SER A 48 -2.537 -14.366 5.503 1.00 32.31 H new ATOM 0 HG SER A 48 -3.359 -16.267 4.458 1.00 44.11 H new ATOM 701 N SER A 49 -4.059 -13.019 8.428 1.00 21.11 N ATOM 702 CA SER A 49 -3.379 -12.358 9.545 1.00 51.02 C ATOM 703 C SER A 49 -3.744 -10.878 9.620 1.00 25.33 C ATOM 704 O SER A 49 -3.157 -10.132 10.405 1.00 51.41 O ATOM 705 CB SER A 49 -1.854 -12.510 9.445 1.00 14.34 C ATOM 706 OG SER A 49 -1.375 -13.462 10.379 1.00 42.14 O ATOM 0 H SER A 49 -4.884 -13.551 8.705 1.00 21.11 H new ATOM 0 HA SER A 49 -3.718 -12.850 10.457 1.00 51.02 H new ATOM 0 HB2 SER A 49 -1.581 -12.817 8.435 1.00 14.34 H new ATOM 0 HB3 SER A 49 -1.377 -11.547 9.625 1.00 14.34 H new ATOM 0 HG SER A 49 -0.402 -13.542 10.295 1.00 42.14 H new ATOM 712 N LYS A 50 -4.710 -10.453 8.803 1.00 72.14 N ATOM 713 CA LYS A 50 -5.138 -9.056 8.783 1.00 20.52 C ATOM 714 C LYS A 50 -3.927 -8.131 8.828 1.00 2.24 C ATOM 715 O LYS A 50 -3.630 -7.526 9.859 1.00 33.43 O ATOM 716 CB LYS A 50 -6.065 -8.767 9.966 1.00 22.21 C ATOM 717 CG LYS A 50 -7.541 -8.798 9.603 1.00 61.25 C ATOM 718 CD LYS A 50 -7.964 -7.529 8.882 1.00 54.41 C ATOM 719 CE LYS A 50 -8.648 -6.554 9.826 1.00 54.43 C ATOM 720 NZ LYS A 50 -9.770 -5.833 9.163 1.00 32.11 N ATOM 0 H LYS A 50 -5.209 -11.056 8.149 1.00 72.14 H new ATOM 0 HA LYS A 50 -5.684 -8.874 7.857 1.00 20.52 H new ATOM 0 HB2 LYS A 50 -5.877 -9.499 10.752 1.00 22.21 H new ATOM 0 HB3 LYS A 50 -5.821 -7.788 10.378 1.00 22.21 H new ATOM 0 HG2 LYS A 50 -7.743 -9.662 8.970 1.00 61.25 H new ATOM 0 HG3 LYS A 50 -8.137 -8.920 10.508 1.00 61.25 H new ATOM 0 HD2 LYS A 50 -7.090 -7.054 8.437 1.00 54.41 H new ATOM 0 HD3 LYS A 50 -8.640 -7.781 8.065 1.00 54.41 H new ATOM 0 HE2 LYS A 50 -9.026 -7.094 10.694 1.00 54.43 H new ATOM 0 HE3 LYS A 50 -7.919 -5.832 10.193 1.00 54.43 H new ATOM 0 HZ1 LYS A 50 -10.210 -5.178 9.840 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 -9.406 -5.297 8.350 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 -10.479 -6.520 8.835 1.00 32.11 H new ATOM 734 N ARG A 51 -3.221 -8.041 7.708 1.00 1.11 N ATOM 735 CA ARG A 51 -2.031 -7.210 7.626 1.00 14.13 C ATOM 736 C ARG A 51 -2.195 -6.108 6.584 1.00 53.14 C ATOM 737 O ARG A 51 -2.424 -6.378 5.406 1.00 22.30 O ATOM 738 CB ARG A 51 -0.812 -8.074 7.300 1.00 42.52 C ATOM 739 CG ARG A 51 0.268 -8.031 8.370 1.00 52.54 C ATOM 740 CD ARG A 51 1.461 -8.894 7.992 1.00 73.22 C ATOM 741 NE ARG A 51 2.502 -8.867 9.017 1.00 64.03 N ATOM 742 CZ ARG A 51 3.467 -9.779 9.117 1.00 42.13 C ATOM 743 NH1 ARG A 51 3.528 -10.789 8.258 1.00 21.42 N ATOM 744 NH2 ARG A 51 4.375 -9.680 10.079 1.00 50.42 N ATOM 0 H ARG A 51 -3.453 -8.534 6.846 1.00 1.11 H new ATOM 0 HA ARG A 51 -1.882 -6.732 8.594 1.00 14.13 H new ATOM 0 HB2 ARG A 51 -1.135 -9.106 7.163 1.00 42.52 H new ATOM 0 HB3 ARG A 51 -0.386 -7.744 6.352 1.00 42.52 H new ATOM 0 HG2 ARG A 51 0.594 -7.002 8.518 1.00 52.54 H new ATOM 0 HG3 ARG A 51 -0.144 -8.374 9.319 1.00 52.54 H new ATOM 0 HD2 ARG A 51 1.131 -9.921 7.837 1.00 73.22 H new ATOM 0 HD3 ARG A 51 1.875 -8.546 7.046 1.00 73.22 H new ATOM 0 HE ARG A 51 2.489 -8.105 9.695 1.00 64.03 H new ATOM 0 HH11 ARG A 51 2.833 -10.870 7.516 1.00 21.42 H new ATOM 0 HH12 ARG A 51 4.270 -11.484 8.340 1.00 21.42 H new ATOM 0 HH21 ARG A 51 4.334 -8.906 10.742 1.00 50.42 H new ATOM 0 HH22 ARG A 51 5.114 -10.378 10.156 1.00 50.42 H new ATOM 758 N ASN A 52 -2.072 -4.865 7.035 1.00 34.42 N ATOM 759 CA ASN A 52 -2.201 -3.712 6.153 1.00 23.12 C ATOM 760 C ASN A 52 -0.839 -3.302 5.604 1.00 31.12 C ATOM 761 O ASN A 52 -0.003 -2.764 6.329 1.00 2.31 O ATOM 762 CB ASN A 52 -2.839 -2.538 6.897 1.00 20.24 C ATOM 763 CG ASN A 52 -2.008 -2.082 8.080 1.00 4.31 C ATOM 764 OD1 ASN A 52 -1.176 -1.183 7.959 1.00 5.34 O ATOM 765 ND2 ASN A 52 -2.228 -2.703 9.233 1.00 3.21 N ATOM 0 H ASN A 52 -1.883 -4.630 8.009 1.00 34.42 H new ATOM 0 HA ASN A 52 -2.845 -3.992 5.319 1.00 23.12 H new ATOM 0 HB2 ASN A 52 -2.973 -1.704 6.208 1.00 20.24 H new ATOM 0 HB3 ASN A 52 -3.831 -2.827 7.244 1.00 20.24 H new ATOM 0 HD21 ASN A 52 -1.697 -2.440 10.063 1.00 3.21 H new ATOM 0 HD22 ASN A 52 -2.928 -3.443 9.288 1.00 3.21 H new ATOM 772 N GLU A 53 -0.623 -3.564 4.321 1.00 41.33 N ATOM 773 CA GLU A 53 0.639 -3.227 3.676 1.00 4.05 C ATOM 774 C GLU A 53 0.518 -1.933 2.881 1.00 61.35 C ATOM 775 O GLU A 53 -0.586 -1.461 2.606 1.00 75.32 O ATOM 776 CB GLU A 53 1.084 -4.368 2.759 1.00 12.24 C ATOM 777 CG GLU A 53 2.251 -5.173 3.308 1.00 2.20 C ATOM 778 CD GLU A 53 3.429 -4.301 3.700 1.00 62.15 C ATOM 779 OE1 GLU A 53 4.116 -3.789 2.791 1.00 35.21 O ATOM 780 OE2 GLU A 53 3.663 -4.130 4.914 1.00 30.34 O ATOM 0 H GLU A 53 -1.305 -4.009 3.707 1.00 41.33 H new ATOM 0 HA GLU A 53 1.389 -3.081 4.453 1.00 4.05 H new ATOM 0 HB2 GLU A 53 0.240 -5.037 2.590 1.00 12.24 H new ATOM 0 HB3 GLU A 53 1.363 -3.955 1.789 1.00 12.24 H new ATOM 0 HG2 GLU A 53 1.919 -5.741 4.177 1.00 2.20 H new ATOM 0 HG3 GLU A 53 2.573 -5.896 2.559 1.00 2.20 H new ATOM 787 N PHE A 54 1.661 -1.365 2.514 1.00 62.12 N ATOM 788 CA PHE A 54 1.688 -0.126 1.747 1.00 52.31 C ATOM 789 C PHE A 54 2.028 -0.404 0.287 1.00 20.21 C ATOM 790 O PHE A 54 3.153 -0.782 -0.038 1.00 71.11 O ATOM 791 CB PHE A 54 2.707 0.846 2.344 1.00 31.23 C ATOM 792 CG PHE A 54 2.198 1.583 3.551 1.00 44.21 C ATOM 793 CD1 PHE A 54 1.068 2.379 3.466 1.00 60.55 C ATOM 794 CD2 PHE A 54 2.851 1.480 4.768 1.00 53.04 C ATOM 795 CE1 PHE A 54 0.597 3.058 4.573 1.00 31.14 C ATOM 796 CE2 PHE A 54 2.385 2.155 5.880 1.00 20.43 C ATOM 797 CZ PHE A 54 1.257 2.947 5.782 1.00 5.43 C ATOM 0 H PHE A 54 2.582 -1.743 2.736 1.00 62.12 H new ATOM 0 HA PHE A 54 0.697 0.326 1.794 1.00 52.31 H new ATOM 0 HB2 PHE A 54 3.606 0.294 2.618 1.00 31.23 H new ATOM 0 HB3 PHE A 54 2.997 1.570 1.582 1.00 31.23 H new ATOM 0 HD1 PHE A 54 0.549 2.470 2.523 1.00 60.55 H new ATOM 0 HD2 PHE A 54 3.735 0.865 4.849 1.00 53.04 H new ATOM 0 HE1 PHE A 54 -0.286 3.675 4.494 1.00 31.14 H new ATOM 0 HE2 PHE A 54 2.902 2.064 6.824 1.00 20.43 H new ATOM 0 HZ PHE A 54 0.892 3.478 6.649 1.00 5.43 H new ATOM 807 N LYS A 55 1.044 -0.221 -0.588 1.00 44.01 N ATOM 808 CA LYS A 55 1.236 -0.457 -2.013 1.00 73.11 C ATOM 809 C LYS A 55 0.980 0.813 -2.817 1.00 63.12 C ATOM 810 O LYS A 55 0.611 1.845 -2.261 1.00 60.32 O ATOM 811 CB LYS A 55 0.306 -1.575 -2.493 1.00 13.23 C ATOM 812 CG LYS A 55 1.013 -2.645 -3.308 1.00 41.25 C ATOM 813 CD LYS A 55 0.262 -3.966 -3.269 1.00 62.10 C ATOM 814 CE LYS A 55 -1.053 -3.886 -4.027 1.00 31.24 C ATOM 815 NZ LYS A 55 -1.098 -4.846 -5.163 1.00 13.13 N ATOM 0 H LYS A 55 0.106 0.090 -0.334 1.00 44.01 H new ATOM 0 HA LYS A 55 2.271 -0.759 -2.170 1.00 73.11 H new ATOM 0 HB2 LYS A 55 -0.165 -2.041 -1.628 1.00 13.23 H new ATOM 0 HB3 LYS A 55 -0.492 -1.140 -3.095 1.00 13.23 H new ATOM 0 HG2 LYS A 55 1.110 -2.311 -4.341 1.00 41.25 H new ATOM 0 HG3 LYS A 55 2.023 -2.788 -2.923 1.00 41.25 H new ATOM 0 HD2 LYS A 55 0.883 -4.751 -3.700 1.00 62.10 H new ATOM 0 HD3 LYS A 55 0.069 -4.245 -2.233 1.00 62.10 H new ATOM 0 HE2 LYS A 55 -1.878 -4.092 -3.345 1.00 31.24 H new ATOM 0 HE3 LYS A 55 -1.195 -2.873 -4.402 1.00 31.24 H new ATOM 0 HZ1 LYS A 55 -1.109 -4.321 -6.061 1.00 13.13 H new ATOM 0 HZ2 LYS A 55 -0.260 -5.461 -5.131 1.00 13.13 H new ATOM 0 HZ3 LYS A 55 -1.957 -5.428 -5.092 1.00 13.13 H new ATOM 829 N SER A 56 1.175 0.726 -4.128 1.00 61.14 N ATOM 830 CA SER A 56 0.959 1.865 -5.015 1.00 14.20 C ATOM 831 C SER A 56 -0.130 1.541 -6.034 1.00 33.41 C ATOM 832 O SER A 56 -0.118 0.472 -6.643 1.00 61.31 O ATOM 833 CB SER A 56 2.260 2.229 -5.735 1.00 42.24 C ATOM 834 OG SER A 56 2.414 3.633 -5.832 1.00 4.04 O ATOM 0 H SER A 56 1.483 -0.123 -4.602 1.00 61.14 H new ATOM 0 HA SER A 56 0.638 2.717 -4.416 1.00 14.20 H new ATOM 0 HB2 SER A 56 3.108 1.803 -5.198 1.00 42.24 H new ATOM 0 HB3 SER A 56 2.262 1.790 -6.733 1.00 42.24 H new ATOM 0 HG SER A 56 3.301 3.888 -5.503 1.00 4.04 H new ATOM 840 N CYS A 57 -1.078 2.460 -6.213 1.00 64.24 N ATOM 841 CA CYS A 57 -2.166 2.235 -7.162 1.00 63.31 C ATOM 842 C CYS A 57 -2.288 3.393 -8.147 1.00 53.51 C ATOM 843 O CYS A 57 -1.479 4.321 -8.132 1.00 2.13 O ATOM 844 CB CYS A 57 -3.495 2.005 -6.417 1.00 44.32 C ATOM 845 SG CYS A 57 -4.501 3.497 -6.080 1.00 74.43 S ATOM 0 H CYS A 57 -1.115 3.353 -5.722 1.00 64.24 H new ATOM 0 HA CYS A 57 -1.933 1.337 -7.735 1.00 63.31 H new ATOM 0 HB2 CYS A 57 -4.099 1.309 -7.000 1.00 44.32 H new ATOM 0 HB3 CYS A 57 -3.275 1.518 -5.467 1.00 44.32 H new ATOM 850 N ARG A 58 -3.301 3.330 -9.001 1.00 31.41 N ATOM 851 CA ARG A 58 -3.527 4.373 -9.992 1.00 62.35 C ATOM 852 C ARG A 58 -4.674 5.283 -9.569 1.00 33.04 C ATOM 853 O ARG A 58 -5.793 4.823 -9.339 1.00 54.43 O ATOM 854 CB ARG A 58 -3.826 3.753 -11.360 1.00 21.10 C ATOM 855 CG ARG A 58 -3.083 2.451 -11.621 1.00 44.23 C ATOM 856 CD ARG A 58 -4.014 1.251 -11.548 1.00 3.11 C ATOM 857 NE ARG A 58 -3.948 0.585 -10.249 1.00 31.04 N ATOM 858 CZ ARG A 58 -4.835 -0.314 -9.831 1.00 14.44 C ATOM 859 NH1 ARG A 58 -5.858 -0.657 -10.604 1.00 70.32 N ATOM 860 NH2 ARG A 58 -4.701 -0.872 -8.635 1.00 52.21 N ATOM 0 H ARG A 58 -3.979 2.568 -9.027 1.00 31.41 H new ATOM 0 HA ARG A 58 -2.620 4.973 -10.066 1.00 62.35 H new ATOM 0 HB2 ARG A 58 -4.898 3.571 -11.439 1.00 21.10 H new ATOM 0 HB3 ARG A 58 -3.566 4.471 -12.138 1.00 21.10 H new ATOM 0 HG2 ARG A 58 -2.615 2.490 -12.604 1.00 44.23 H new ATOM 0 HG3 ARG A 58 -2.282 2.336 -10.891 1.00 44.23 H new ATOM 0 HD2 ARG A 58 -5.037 1.574 -11.738 1.00 3.11 H new ATOM 0 HD3 ARG A 58 -3.753 0.541 -12.333 1.00 3.11 H new ATOM 0 HE ARG A 58 -3.176 0.823 -9.626 1.00 31.04 H new ATOM 0 HH11 ARG A 58 -5.967 -0.231 -11.524 1.00 70.32 H new ATOM 0 HH12 ARG A 58 -6.535 -1.347 -10.278 1.00 70.32 H new ATOM 0 HH21 ARG A 58 -3.918 -0.612 -8.036 1.00 52.21 H new ATOM 0 HH22 ARG A 58 -5.381 -1.561 -8.315 1.00 52.21 H new ATOM 874 N SER A 59 -4.389 6.577 -9.466 1.00 52.53 N ATOM 875 CA SER A 59 -5.397 7.552 -9.068 1.00 74.44 C ATOM 876 C SER A 59 -6.282 7.942 -10.249 1.00 41.43 C ATOM 877 O SER A 59 -7.403 8.416 -10.066 1.00 4.30 O ATOM 878 CB SER A 59 -4.724 8.797 -8.482 1.00 45.24 C ATOM 879 OG SER A 59 -5.060 8.963 -7.115 1.00 1.43 O ATOM 0 H SER A 59 -3.468 6.974 -9.653 1.00 52.53 H new ATOM 0 HA SER A 59 -6.029 7.094 -8.307 1.00 74.44 H new ATOM 0 HB2 SER A 59 -3.642 8.712 -8.586 1.00 45.24 H new ATOM 0 HB3 SER A 59 -5.030 9.679 -9.045 1.00 45.24 H new ATOM 0 HG SER A 59 -4.296 9.345 -6.635 1.00 1.43 H new