USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 110:sc= -0.607 USER MOD Single : A 10 THR OG1 : rot -34:sc= 0.27 USER MOD Single : A 11 ASN : amide:sc= 0.274 K(o=0.27,f=-2.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -4.56! C(o=-4.6!,f=-7.6!) USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= 1.2 (180deg=-2.05!) USER MOD Single : A 31 THR OG1 : rot 83:sc= 0.809 USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= -1.42 (180deg=-1.86) USER MOD ----------------------------------------------------------------- ATOM 20 N CYS A 2 -3.091 -8.256 -6.637 1.00 55.35 N ATOM 21 CA CYS A 2 -2.151 -7.325 -6.004 1.00 41.55 C ATOM 22 C CYS A 2 -2.844 -5.972 -5.750 1.00 33.25 C ATOM 23 O CYS A 2 -3.346 -5.333 -6.686 1.00 24.13 O ATOM 24 CB CYS A 2 -0.899 -7.145 -6.884 1.00 1.44 C ATOM 25 SG CYS A 2 -0.086 -8.709 -7.346 1.00 74.21 S ATOM 0 HA CYS A 2 -1.833 -7.736 -5.046 1.00 41.55 H new ATOM 0 HB2 CYS A 2 -1.180 -6.611 -7.792 1.00 1.44 H new ATOM 0 HB3 CYS A 2 -0.182 -6.518 -6.354 1.00 1.44 H new ATOM 30 N TYR A 3 -2.859 -5.567 -4.469 1.00 24.33 N ATOM 31 CA TYR A 3 -3.543 -4.362 -3.974 1.00 73.24 C ATOM 32 C TYR A 3 -2.909 -3.090 -4.590 1.00 74.44 C ATOM 33 O TYR A 3 -1.750 -2.770 -4.301 1.00 2.12 O ATOM 34 CB TYR A 3 -3.437 -4.357 -2.423 1.00 22.14 C ATOM 35 CG TYR A 3 -4.528 -3.586 -1.650 1.00 21.10 C ATOM 36 CD1 TYR A 3 -5.749 -4.194 -1.342 1.00 13.14 C ATOM 37 CD2 TYR A 3 -4.325 -2.283 -1.209 1.00 31.24 C ATOM 38 CE1 TYR A 3 -6.718 -3.523 -0.627 1.00 33.32 C ATOM 39 CE2 TYR A 3 -5.291 -1.610 -0.491 1.00 12.40 C ATOM 40 CZ TYR A 3 -6.485 -2.231 -0.205 1.00 32.04 C ATOM 41 OH TYR A 3 -7.448 -1.553 0.514 1.00 25.35 O ATOM 0 H TYR A 3 -2.382 -6.083 -3.730 1.00 24.33 H new ATOM 0 HA TYR A 3 -4.593 -4.368 -4.268 1.00 73.24 H new ATOM 0 HB2 TYR A 3 -3.445 -5.391 -2.079 1.00 22.14 H new ATOM 0 HB3 TYR A 3 -2.468 -3.938 -2.151 1.00 22.14 H new ATOM 0 HD1 TYR A 3 -5.936 -5.206 -1.670 1.00 13.14 H new ATOM 0 HD2 TYR A 3 -3.392 -1.788 -1.433 1.00 31.24 H new ATOM 0 HE1 TYR A 3 -7.656 -4.007 -0.398 1.00 33.32 H new ATOM 0 HE2 TYR A 3 -5.111 -0.600 -0.155 1.00 12.40 H new ATOM 0 HH TYR A 3 -7.121 -0.655 0.733 1.00 25.35 H new ATOM 51 N THR A 4 -3.663 -2.413 -5.470 1.00 63.31 N ATOM 52 CA THR A 4 -3.207 -1.197 -6.167 1.00 44.53 C ATOM 53 C THR A 4 -3.817 0.051 -5.488 1.00 5.43 C ATOM 54 O THR A 4 -5.042 0.189 -5.413 1.00 50.02 O ATOM 55 CB THR A 4 -3.593 -1.257 -7.684 1.00 1.23 C ATOM 56 OG1 THR A 4 -3.166 -2.524 -8.217 1.00 12.40 O ATOM 57 CG2 THR A 4 -2.942 -0.111 -8.494 1.00 23.53 C ATOM 0 H THR A 4 -4.611 -2.694 -5.720 1.00 63.31 H new ATOM 0 HA THR A 4 -2.121 -1.133 -6.103 1.00 44.53 H new ATOM 0 HB THR A 4 -4.674 -1.144 -7.768 1.00 1.23 H new ATOM 0 HG1 THR A 4 -3.403 -2.576 -9.166 1.00 12.40 H new ATOM 0 HG21 THR A 4 -3.237 -0.192 -9.540 1.00 23.53 H new ATOM 0 HG22 THR A 4 -3.273 0.849 -8.097 1.00 23.53 H new ATOM 0 HG23 THR A 4 -1.857 -0.181 -8.416 1.00 23.53 H new ATOM 65 N PHE A 5 -2.948 0.930 -4.966 1.00 53.22 N ATOM 66 CA PHE A 5 -3.349 2.162 -4.262 1.00 52.02 C ATOM 67 C PHE A 5 -2.410 3.295 -4.664 1.00 12.22 C ATOM 68 O PHE A 5 -1.204 3.104 -4.734 1.00 51.52 O ATOM 69 CB PHE A 5 -3.327 1.950 -2.718 1.00 44.54 C ATOM 70 CG PHE A 5 -2.064 1.257 -2.173 1.00 55.22 C ATOM 71 CD1 PHE A 5 -1.909 -0.112 -2.313 1.00 63.55 C ATOM 72 CD2 PHE A 5 -1.053 1.955 -1.514 1.00 44.42 C ATOM 73 CE1 PHE A 5 -0.808 -0.760 -1.829 1.00 51.03 C ATOM 74 CE2 PHE A 5 0.058 1.296 -1.018 1.00 65.30 C ATOM 75 CZ PHE A 5 0.176 -0.069 -1.178 1.00 1.13 C ATOM 0 H PHE A 5 -1.937 0.806 -5.020 1.00 53.22 H new ATOM 0 HA PHE A 5 -4.369 2.421 -4.545 1.00 52.02 H new ATOM 0 HB2 PHE A 5 -3.429 2.920 -2.232 1.00 44.54 H new ATOM 0 HB3 PHE A 5 -4.198 1.359 -2.435 1.00 44.54 H new ATOM 0 HD1 PHE A 5 -2.677 -0.681 -2.817 1.00 63.55 H new ATOM 0 HD2 PHE A 5 -1.138 3.024 -1.389 1.00 44.42 H new ATOM 0 HE1 PHE A 5 -0.714 -1.828 -1.962 1.00 51.03 H new ATOM 0 HE2 PHE A 5 0.832 1.849 -0.506 1.00 65.30 H new ATOM 0 HZ PHE A 5 1.040 -0.589 -0.791 1.00 1.13 H new ATOM 85 N ARG A 6 -2.972 4.486 -4.889 1.00 61.00 N ATOM 86 CA ARG A 6 -2.226 5.634 -5.409 1.00 21.44 C ATOM 87 C ARG A 6 -2.203 6.762 -4.382 1.00 32.32 C ATOM 88 O ARG A 6 -3.251 7.316 -4.031 1.00 30.31 O ATOM 89 CB ARG A 6 -2.855 6.113 -6.740 1.00 72.24 C ATOM 90 CG ARG A 6 -2.086 7.262 -7.435 1.00 72.11 C ATOM 91 CD ARG A 6 -2.659 7.611 -8.815 1.00 12.14 C ATOM 92 NE ARG A 6 -1.847 8.631 -9.500 1.00 2.02 N ATOM 93 CZ ARG A 6 -1.045 8.409 -10.547 1.00 43.35 C ATOM 94 NH1 ARG A 6 -0.907 7.191 -11.065 1.00 23.13 N ATOM 95 NH2 ARG A 6 -0.402 9.416 -11.094 1.00 22.30 N ATOM 0 H ARG A 6 -3.958 4.681 -4.715 1.00 61.00 H new ATOM 0 HA ARG A 6 -1.197 5.331 -5.602 1.00 21.44 H new ATOM 0 HB2 ARG A 6 -2.915 5.267 -7.424 1.00 72.24 H new ATOM 0 HB3 ARG A 6 -3.877 6.441 -6.548 1.00 72.24 H new ATOM 0 HG2 ARG A 6 -2.114 8.148 -6.800 1.00 72.11 H new ATOM 0 HG3 ARG A 6 -1.039 6.980 -7.542 1.00 72.11 H new ATOM 0 HD2 ARG A 6 -2.705 6.711 -9.428 1.00 12.14 H new ATOM 0 HD3 ARG A 6 -3.681 7.974 -8.704 1.00 12.14 H new ATOM 0 HE ARG A 6 -1.901 9.586 -9.146 1.00 2.02 H new ATOM 0 HH11 ARG A 6 -1.418 6.405 -10.663 1.00 23.13 H new ATOM 0 HH12 ARG A 6 -0.290 7.043 -11.864 1.00 23.13 H new ATOM 0 HH21 ARG A 6 -0.517 10.358 -10.720 1.00 22.30 H new ATOM 0 HH22 ARG A 6 0.212 9.256 -11.893 1.00 22.30 H new ATOM 109 N SER A 7 -1.005 7.078 -3.893 1.00 25.10 N ATOM 110 CA SER A 7 -0.784 8.215 -3.006 1.00 15.32 C ATOM 111 C SER A 7 -0.583 9.463 -3.870 1.00 53.13 C ATOM 112 O SER A 7 0.398 9.562 -4.615 1.00 21.55 O ATOM 113 CB SER A 7 0.427 7.966 -2.073 1.00 60.44 C ATOM 114 OG SER A 7 0.688 9.088 -1.239 1.00 31.52 O ATOM 0 H SER A 7 -0.158 6.550 -4.103 1.00 25.10 H new ATOM 0 HA SER A 7 -1.649 8.357 -2.359 1.00 15.32 H new ATOM 0 HB2 SER A 7 0.235 7.089 -1.454 1.00 60.44 H new ATOM 0 HB3 SER A 7 1.310 7.746 -2.673 1.00 60.44 H new ATOM 0 HG SER A 7 0.457 8.868 -0.312 1.00 31.52 H new ATOM 120 N GLU A 8 -1.553 10.388 -3.790 1.00 10.52 N ATOM 121 CA GLU A 8 -1.535 11.664 -4.531 1.00 41.11 C ATOM 122 C GLU A 8 -0.413 12.580 -4.004 1.00 72.21 C ATOM 123 O GLU A 8 0.073 13.458 -4.720 1.00 1.40 O ATOM 124 CB GLU A 8 -2.911 12.367 -4.405 1.00 41.40 C ATOM 125 CG GLU A 8 -4.109 11.471 -4.779 1.00 13.51 C ATOM 126 CD GLU A 8 -5.459 12.160 -4.527 1.00 34.33 C ATOM 127 OE1 GLU A 8 -5.845 12.291 -3.347 1.00 72.03 O ATOM 128 OE2 GLU A 8 -6.111 12.606 -5.493 1.00 22.44 O ATOM 0 H GLU A 8 -2.380 10.272 -3.204 1.00 10.52 H new ATOM 0 HA GLU A 8 -1.340 11.456 -5.583 1.00 41.11 H new ATOM 0 HB2 GLU A 8 -3.037 12.716 -3.380 1.00 41.40 H new ATOM 0 HB3 GLU A 8 -2.917 13.250 -5.045 1.00 41.40 H new ATOM 0 HG2 GLU A 8 -4.037 11.193 -5.831 1.00 13.51 H new ATOM 0 HG3 GLU A 8 -4.062 10.548 -4.202 1.00 13.51 H new ATOM 135 N CYS A 9 0.004 12.324 -2.748 1.00 70.20 N ATOM 136 CA CYS A 9 1.093 13.051 -2.061 1.00 13.22 C ATOM 137 C CYS A 9 2.459 12.910 -2.780 1.00 34.10 C ATOM 138 O CYS A 9 3.337 13.768 -2.648 1.00 43.30 O ATOM 139 CB CYS A 9 1.212 12.518 -0.620 1.00 74.33 C ATOM 140 SG CYS A 9 -0.338 12.585 0.327 1.00 12.13 S ATOM 0 H CYS A 9 -0.413 11.593 -2.171 1.00 70.20 H new ATOM 0 HA CYS A 9 0.840 14.111 -2.069 1.00 13.22 H new ATOM 0 HB2 CYS A 9 1.560 11.486 -0.654 1.00 74.33 H new ATOM 0 HB3 CYS A 9 1.972 13.094 -0.093 1.00 74.33 H new ATOM 145 N THR A 10 2.603 11.822 -3.540 1.00 33.52 N ATOM 146 CA THR A 10 3.819 11.492 -4.295 1.00 32.33 C ATOM 147 C THR A 10 3.458 11.286 -5.779 1.00 72.32 C ATOM 148 O THR A 10 4.352 11.117 -6.618 1.00 74.23 O ATOM 149 CB THR A 10 4.485 10.198 -3.717 1.00 72.52 C ATOM 150 OG1 THR A 10 5.698 9.890 -4.417 1.00 61.25 O ATOM 151 CG2 THR A 10 3.539 8.989 -3.782 1.00 63.22 C ATOM 0 H THR A 10 1.863 11.129 -3.652 1.00 33.52 H new ATOM 0 HA THR A 10 4.530 12.313 -4.206 1.00 32.33 H new ATOM 0 HB THR A 10 4.712 10.402 -2.671 1.00 72.52 H new ATOM 0 HG1 THR A 10 5.609 10.151 -5.357 1.00 61.25 H new ATOM 0 HG21 THR A 10 4.040 8.112 -3.371 1.00 63.22 H new ATOM 0 HG22 THR A 10 2.640 9.199 -3.202 1.00 63.22 H new ATOM 0 HG23 THR A 10 3.264 8.797 -4.819 1.00 63.22 H new ATOM 159 N ASN A 11 2.128 11.251 -6.067 1.00 43.32 N ATOM 160 CA ASN A 11 1.568 11.089 -7.431 1.00 43.55 C ATOM 161 C ASN A 11 1.885 9.673 -8.004 1.00 62.41 C ATOM 162 O ASN A 11 1.798 9.435 -9.205 1.00 15.21 O ATOM 163 CB ASN A 11 2.090 12.254 -8.334 1.00 55.14 C ATOM 164 CG ASN A 11 1.454 12.344 -9.726 1.00 52.33 C ATOM 165 OD1 ASN A 11 0.277 12.045 -9.905 1.00 24.43 O ATOM 166 ND2 ASN A 11 2.232 12.759 -10.711 1.00 0.41 N ATOM 0 H ASN A 11 1.410 11.336 -5.348 1.00 43.32 H new ATOM 0 HA ASN A 11 0.480 11.153 -7.401 1.00 43.55 H new ATOM 0 HB2 ASN A 11 1.921 13.197 -7.814 1.00 55.14 H new ATOM 0 HB3 ASN A 11 3.168 12.144 -8.452 1.00 55.14 H new ATOM 0 HD21 ASN A 11 1.858 12.839 -11.657 1.00 0.41 H new ATOM 0 HD22 ASN A 11 3.206 12.999 -10.525 1.00 0.41 H new ATOM 173 N LYS A 12 2.197 8.723 -7.106 1.00 33.50 N ATOM 174 CA LYS A 12 2.620 7.357 -7.473 1.00 71.31 C ATOM 175 C LYS A 12 1.569 6.343 -7.043 1.00 64.23 C ATOM 176 O LYS A 12 0.960 6.485 -5.978 1.00 42.54 O ATOM 177 CB LYS A 12 3.981 7.022 -6.801 1.00 11.43 C ATOM 178 CG LYS A 12 5.201 7.742 -7.415 1.00 14.34 C ATOM 179 CD LYS A 12 5.520 7.215 -8.837 1.00 71.54 C ATOM 180 CE LYS A 12 6.813 7.797 -9.420 1.00 2.24 C ATOM 181 NZ LYS A 12 7.128 7.212 -10.750 1.00 70.10 N ATOM 0 H LYS A 12 2.163 8.880 -6.099 1.00 33.50 H new ATOM 0 HA LYS A 12 2.734 7.308 -8.556 1.00 71.31 H new ATOM 0 HB2 LYS A 12 3.921 7.278 -5.743 1.00 11.43 H new ATOM 0 HB3 LYS A 12 4.144 5.946 -6.860 1.00 11.43 H new ATOM 0 HG2 LYS A 12 5.007 8.814 -7.459 1.00 14.34 H new ATOM 0 HG3 LYS A 12 6.069 7.601 -6.771 1.00 14.34 H new ATOM 0 HD2 LYS A 12 5.600 6.128 -8.805 1.00 71.54 H new ATOM 0 HD3 LYS A 12 4.689 7.454 -9.501 1.00 71.54 H new ATOM 0 HE2 LYS A 12 6.716 8.879 -9.512 1.00 2.24 H new ATOM 0 HE3 LYS A 12 7.639 7.608 -8.734 1.00 2.24 H new ATOM 0 HZ1 LYS A 12 8.009 7.629 -11.113 1.00 70.10 H new ATOM 0 HZ2 LYS A 12 7.245 6.183 -10.658 1.00 70.10 H new ATOM 0 HZ3 LYS A 12 6.351 7.414 -11.411 1.00 70.10 H new ATOM 195 N GLU A 13 1.366 5.330 -7.892 1.00 33.34 N ATOM 196 CA GLU A 13 0.527 4.159 -7.595 1.00 24.51 C ATOM 197 C GLU A 13 1.438 2.971 -7.210 1.00 70.34 C ATOM 198 O GLU A 13 2.527 2.806 -7.772 1.00 43.44 O ATOM 199 CB GLU A 13 -0.389 3.820 -8.807 1.00 45.23 C ATOM 200 CG GLU A 13 0.345 3.712 -10.154 1.00 73.41 C ATOM 201 CD GLU A 13 -0.612 3.448 -11.323 1.00 50.34 C ATOM 202 OE1 GLU A 13 -1.309 4.401 -11.760 1.00 63.12 O ATOM 203 OE2 GLU A 13 -0.684 2.299 -11.810 1.00 71.44 O ATOM 0 H GLU A 13 1.786 5.298 -8.821 1.00 33.34 H new ATOM 0 HA GLU A 13 -0.130 4.378 -6.753 1.00 24.51 H new ATOM 0 HB2 GLU A 13 -0.897 2.876 -8.609 1.00 45.23 H new ATOM 0 HB3 GLU A 13 -1.160 4.586 -8.889 1.00 45.23 H new ATOM 0 HG2 GLU A 13 0.895 4.635 -10.340 1.00 73.41 H new ATOM 0 HG3 GLU A 13 1.079 2.908 -10.101 1.00 73.41 H new ATOM 210 N PHE A 14 0.980 2.161 -6.245 1.00 22.14 N ATOM 211 CA PHE A 14 1.748 1.072 -5.628 1.00 53.21 C ATOM 212 C PHE A 14 0.942 -0.224 -5.773 1.00 63.33 C ATOM 213 O PHE A 14 -0.227 -0.266 -5.398 1.00 51.24 O ATOM 214 CB PHE A 14 1.993 1.382 -4.124 1.00 51.20 C ATOM 215 CG PHE A 14 2.600 2.757 -3.869 1.00 54.25 C ATOM 216 CD1 PHE A 14 3.963 2.969 -4.020 1.00 50.42 C ATOM 217 CD2 PHE A 14 1.801 3.838 -3.483 1.00 35.23 C ATOM 218 CE1 PHE A 14 4.515 4.213 -3.806 1.00 64.14 C ATOM 219 CE2 PHE A 14 2.352 5.079 -3.273 1.00 11.55 C ATOM 220 CZ PHE A 14 3.710 5.265 -3.429 1.00 34.42 C ATOM 0 H PHE A 14 0.039 2.248 -5.862 1.00 22.14 H new ATOM 0 HA PHE A 14 2.716 0.968 -6.119 1.00 53.21 H new ATOM 0 HB2 PHE A 14 1.046 1.308 -3.589 1.00 51.20 H new ATOM 0 HB3 PHE A 14 2.654 0.621 -3.709 1.00 51.20 H new ATOM 0 HD1 PHE A 14 4.600 2.147 -4.310 1.00 50.42 H new ATOM 0 HD2 PHE A 14 0.739 3.696 -3.348 1.00 35.23 H new ATOM 0 HE1 PHE A 14 5.577 4.363 -3.934 1.00 64.14 H new ATOM 0 HE2 PHE A 14 1.722 5.908 -2.986 1.00 11.55 H new ATOM 0 HZ PHE A 14 4.143 6.239 -3.255 1.00 34.42 H new ATOM 230 N THR A 15 1.572 -1.255 -6.335 1.00 0.23 N ATOM 231 CA THR A 15 0.961 -2.572 -6.545 1.00 53.03 C ATOM 232 C THR A 15 1.699 -3.582 -5.647 1.00 70.15 C ATOM 233 O THR A 15 2.891 -3.825 -5.850 1.00 72.23 O ATOM 234 CB THR A 15 1.090 -2.948 -8.056 1.00 22.03 C ATOM 235 OG1 THR A 15 0.533 -1.892 -8.861 1.00 13.43 O ATOM 236 CG2 THR A 15 0.390 -4.269 -8.402 1.00 54.13 C ATOM 0 H THR A 15 2.536 -1.200 -6.663 1.00 0.23 H new ATOM 0 HA THR A 15 -0.097 -2.573 -6.285 1.00 53.03 H new ATOM 0 HB THR A 15 2.152 -3.078 -8.265 1.00 22.03 H new ATOM 0 HG1 THR A 15 0.615 -2.126 -9.809 1.00 13.43 H new ATOM 0 HG21 THR A 15 0.513 -4.479 -9.465 1.00 54.13 H new ATOM 0 HG22 THR A 15 0.831 -5.078 -7.819 1.00 54.13 H new ATOM 0 HG23 THR A 15 -0.672 -4.190 -8.168 1.00 54.13 H new ATOM 244 N VAL A 16 0.997 -4.149 -4.642 1.00 21.21 N ATOM 245 CA VAL A 16 1.639 -4.994 -3.602 1.00 13.51 C ATOM 246 C VAL A 16 0.961 -6.378 -3.506 1.00 25.21 C ATOM 247 O VAL A 16 -0.271 -6.484 -3.502 1.00 1.33 O ATOM 248 CB VAL A 16 1.648 -4.261 -2.202 1.00 31.22 C ATOM 249 CG1 VAL A 16 0.232 -4.083 -1.609 1.00 53.32 C ATOM 250 CG2 VAL A 16 2.584 -4.967 -1.194 1.00 3.12 C ATOM 0 H VAL A 16 -0.010 -4.040 -4.526 1.00 21.21 H new ATOM 0 HA VAL A 16 2.675 -5.157 -3.899 1.00 13.51 H new ATOM 0 HB VAL A 16 2.041 -3.261 -2.388 1.00 31.22 H new ATOM 0 HG11 VAL A 16 0.301 -3.574 -0.648 1.00 53.32 H new ATOM 0 HG12 VAL A 16 -0.376 -3.489 -2.291 1.00 53.32 H new ATOM 0 HG13 VAL A 16 -0.229 -5.061 -1.469 1.00 53.32 H new ATOM 0 HG21 VAL A 16 2.563 -4.434 -0.243 1.00 3.12 H new ATOM 0 HG22 VAL A 16 2.248 -5.993 -1.042 1.00 3.12 H new ATOM 0 HG23 VAL A 16 3.602 -4.973 -1.585 1.00 3.12 H new ATOM 260 N CYS A 17 1.779 -7.443 -3.425 1.00 61.21 N ATOM 261 CA CYS A 17 1.298 -8.840 -3.412 1.00 33.51 C ATOM 262 C CYS A 17 2.009 -9.655 -2.317 1.00 54.30 C ATOM 263 O CYS A 17 3.062 -10.251 -2.551 1.00 32.21 O ATOM 264 CB CYS A 17 1.446 -9.486 -4.826 1.00 15.43 C ATOM 265 SG CYS A 17 -0.148 -9.810 -5.648 1.00 74.31 S ATOM 0 H CYS A 17 2.794 -7.361 -3.367 1.00 61.21 H new ATOM 0 HA CYS A 17 0.236 -8.843 -3.168 1.00 33.51 H new ATOM 0 HB2 CYS A 17 2.044 -8.828 -5.457 1.00 15.43 H new ATOM 0 HB3 CYS A 17 1.995 -10.423 -4.733 1.00 15.43 H new ATOM 270 N ARG A 18 1.436 -9.607 -1.109 1.00 23.32 N ATOM 271 CA ARG A 18 1.768 -10.525 -0.004 1.00 73.50 C ATOM 272 C ARG A 18 0.834 -11.766 -0.103 1.00 14.43 C ATOM 273 O ARG A 18 -0.244 -11.662 -0.703 1.00 54.34 O ATOM 274 CB ARG A 18 1.612 -9.797 1.379 1.00 35.14 C ATOM 275 CG ARG A 18 2.843 -8.989 1.867 1.00 14.12 C ATOM 276 CD ARG A 18 3.306 -7.874 0.913 1.00 43.10 C ATOM 277 NE ARG A 18 4.298 -6.996 1.567 1.00 44.30 N ATOM 278 CZ ARG A 18 5.322 -6.360 0.966 1.00 1.12 C ATOM 279 NH1 ARG A 18 5.552 -6.480 -0.337 1.00 10.20 N ATOM 280 NH2 ARG A 18 6.098 -5.570 1.688 1.00 11.05 N ATOM 0 H ARG A 18 0.720 -8.923 -0.864 1.00 23.32 H new ATOM 0 HA ARG A 18 2.806 -10.849 -0.080 1.00 73.50 H new ATOM 0 HB2 ARG A 18 0.760 -9.120 1.316 1.00 35.14 H new ATOM 0 HB3 ARG A 18 1.370 -10.544 2.135 1.00 35.14 H new ATOM 0 HG2 ARG A 18 2.608 -8.545 2.834 1.00 14.12 H new ATOM 0 HG3 ARG A 18 3.672 -9.679 2.026 1.00 14.12 H new ATOM 0 HD2 ARG A 18 3.741 -8.315 0.016 1.00 43.10 H new ATOM 0 HD3 ARG A 18 2.447 -7.284 0.594 1.00 43.10 H new ATOM 0 HE ARG A 18 4.198 -6.858 2.573 1.00 44.30 H new ATOM 0 HH11 ARG A 18 4.945 -7.066 -0.910 1.00 10.20 H new ATOM 0 HH12 ARG A 18 6.335 -5.986 -0.764 1.00 10.20 H new ATOM 0 HH21 ARG A 18 5.917 -5.450 2.685 1.00 11.05 H new ATOM 0 HH22 ARG A 18 6.878 -5.081 1.249 1.00 11.05 H new ATOM 294 N PRO A 19 1.219 -12.961 0.469 1.00 35.02 N ATOM 295 CA PRO A 19 0.385 -14.205 0.373 1.00 73.05 C ATOM 296 C PRO A 19 -0.916 -14.136 1.209 1.00 25.21 C ATOM 297 O PRO A 19 -1.855 -14.905 0.977 1.00 74.04 O ATOM 298 CB PRO A 19 1.346 -15.309 0.901 1.00 71.52 C ATOM 299 CG PRO A 19 2.272 -14.586 1.840 1.00 61.12 C ATOM 300 CD PRO A 19 2.480 -13.208 1.229 1.00 11.55 C ATOM 0 HA PRO A 19 0.027 -14.381 -0.641 1.00 73.05 H new ATOM 0 HB2 PRO A 19 0.798 -16.099 1.414 1.00 71.52 H new ATOM 0 HB3 PRO A 19 1.896 -15.780 0.086 1.00 71.52 H new ATOM 0 HG2 PRO A 19 1.839 -14.511 2.837 1.00 61.12 H new ATOM 0 HG3 PRO A 19 3.219 -15.116 1.943 1.00 61.12 H new ATOM 0 HD2 PRO A 19 2.640 -12.450 1.996 1.00 11.55 H new ATOM 0 HD3 PRO A 19 3.352 -13.188 0.575 1.00 11.55 H new ATOM 308 N ASN A 20 -0.959 -13.200 2.168 1.00 73.43 N ATOM 309 CA ASN A 20 -2.117 -12.979 3.060 1.00 1.22 C ATOM 310 C ASN A 20 -2.509 -11.482 3.060 1.00 75.25 C ATOM 311 O ASN A 20 -1.620 -10.609 3.065 1.00 21.41 O ATOM 312 CB ASN A 20 -1.803 -13.462 4.510 1.00 31.55 C ATOM 313 CG ASN A 20 -0.570 -12.800 5.144 1.00 45.41 C ATOM 314 OD1 ASN A 20 0.403 -12.481 4.456 1.00 11.11 O ATOM 315 ND2 ASN A 20 -0.598 -12.592 6.452 1.00 0.30 N ATOM 0 H ASN A 20 -0.183 -12.565 2.352 1.00 73.43 H new ATOM 0 HA ASN A 20 -2.957 -13.563 2.685 1.00 1.22 H new ATOM 0 HB2 ASN A 20 -2.670 -13.267 5.141 1.00 31.55 H new ATOM 0 HB3 ASN A 20 -1.655 -14.542 4.497 1.00 31.55 H new ATOM 0 HD21 ASN A 20 0.199 -12.157 6.916 1.00 0.30 H new ATOM 0 HD22 ASN A 20 -1.417 -12.867 6.995 1.00 0.30 H new ATOM 322 N PRO A 21 -3.853 -11.159 3.015 1.00 15.42 N ATOM 323 CA PRO A 21 -4.365 -9.763 3.125 1.00 35.33 C ATOM 324 C PRO A 21 -3.909 -9.037 4.407 1.00 32.14 C ATOM 325 O PRO A 21 -3.791 -7.823 4.400 1.00 71.45 O ATOM 326 CB PRO A 21 -5.904 -9.937 3.119 1.00 3.42 C ATOM 327 CG PRO A 21 -6.129 -11.229 2.397 1.00 42.42 C ATOM 328 CD PRO A 21 -4.973 -12.122 2.795 1.00 63.33 C ATOM 0 HA PRO A 21 -3.984 -9.142 2.315 1.00 35.33 H new ATOM 0 HB2 PRO A 21 -6.304 -9.973 4.132 1.00 3.42 H new ATOM 0 HB3 PRO A 21 -6.396 -9.107 2.612 1.00 3.42 H new ATOM 0 HG2 PRO A 21 -7.083 -11.674 2.678 1.00 42.42 H new ATOM 0 HG3 PRO A 21 -6.154 -11.076 1.318 1.00 42.42 H new ATOM 0 HD2 PRO A 21 -5.197 -12.691 3.697 1.00 63.33 H new ATOM 0 HD3 PRO A 21 -4.735 -12.844 2.014 1.00 63.33 H new ATOM 336 N GLU A 22 -3.641 -9.814 5.484 1.00 40.12 N ATOM 337 CA GLU A 22 -3.179 -9.296 6.795 1.00 31.10 C ATOM 338 C GLU A 22 -1.954 -8.380 6.620 1.00 42.41 C ATOM 339 O GLU A 22 -1.964 -7.223 7.067 1.00 45.31 O ATOM 340 CB GLU A 22 -2.827 -10.491 7.733 1.00 5.12 C ATOM 341 CG GLU A 22 -2.141 -10.139 9.085 1.00 64.21 C ATOM 342 CD GLU A 22 -3.016 -9.300 10.034 1.00 24.10 C ATOM 343 OE1 GLU A 22 -3.896 -9.870 10.712 1.00 44.13 O ATOM 344 OE2 GLU A 22 -2.832 -8.068 10.105 1.00 50.44 O ATOM 0 H GLU A 22 -3.741 -10.829 5.467 1.00 40.12 H new ATOM 0 HA GLU A 22 -3.981 -8.708 7.242 1.00 31.10 H new ATOM 0 HB2 GLU A 22 -3.746 -11.036 7.949 1.00 5.12 H new ATOM 0 HB3 GLU A 22 -2.174 -11.171 7.187 1.00 5.12 H new ATOM 0 HG2 GLU A 22 -1.860 -11.064 9.589 1.00 64.21 H new ATOM 0 HG3 GLU A 22 -1.219 -9.594 8.881 1.00 64.21 H new ATOM 351 N GLU A 23 -0.920 -8.900 5.937 1.00 75.31 N ATOM 352 CA GLU A 23 0.315 -8.150 5.684 1.00 3.33 C ATOM 353 C GLU A 23 0.073 -6.990 4.709 1.00 40.30 C ATOM 354 O GLU A 23 0.627 -5.911 4.899 1.00 31.51 O ATOM 355 CB GLU A 23 1.426 -9.087 5.165 1.00 10.01 C ATOM 356 CG GLU A 23 1.854 -10.182 6.157 1.00 71.20 C ATOM 357 CD GLU A 23 2.289 -9.651 7.535 1.00 52.42 C ATOM 358 OE1 GLU A 23 3.351 -8.995 7.626 1.00 62.24 O ATOM 359 OE2 GLU A 23 1.569 -9.883 8.535 1.00 64.11 O ATOM 0 H GLU A 23 -0.919 -9.843 5.549 1.00 75.31 H new ATOM 0 HA GLU A 23 0.646 -7.721 6.630 1.00 3.33 H new ATOM 0 HB2 GLU A 23 1.083 -9.562 4.246 1.00 10.01 H new ATOM 0 HB3 GLU A 23 2.299 -8.487 4.908 1.00 10.01 H new ATOM 0 HG2 GLU A 23 1.025 -10.877 6.293 1.00 71.20 H new ATOM 0 HG3 GLU A 23 2.677 -10.749 5.722 1.00 71.20 H new ATOM 366 N VAL A 24 -0.788 -7.231 3.694 1.00 21.14 N ATOM 367 CA VAL A 24 -1.122 -6.233 2.652 1.00 15.43 C ATOM 368 C VAL A 24 -1.728 -4.950 3.261 1.00 34.22 C ATOM 369 O VAL A 24 -1.317 -3.853 2.891 1.00 41.23 O ATOM 370 CB VAL A 24 -2.127 -6.813 1.585 1.00 33.51 C ATOM 371 CG1 VAL A 24 -2.553 -5.728 0.576 1.00 65.42 C ATOM 372 CG2 VAL A 24 -1.534 -8.033 0.850 1.00 3.43 C ATOM 0 H VAL A 24 -1.270 -8.122 3.574 1.00 21.14 H new ATOM 0 HA VAL A 24 -0.181 -5.986 2.160 1.00 15.43 H new ATOM 0 HB VAL A 24 -3.013 -7.147 2.125 1.00 33.51 H new ATOM 0 HG11 VAL A 24 -3.246 -6.156 -0.148 1.00 65.42 H new ATOM 0 HG12 VAL A 24 -3.041 -4.910 1.106 1.00 65.42 H new ATOM 0 HG13 VAL A 24 -1.673 -5.349 0.056 1.00 65.42 H new ATOM 0 HG21 VAL A 24 -2.255 -8.405 0.123 1.00 3.43 H new ATOM 0 HG22 VAL A 24 -0.619 -7.739 0.336 1.00 3.43 H new ATOM 0 HG23 VAL A 24 -1.308 -8.818 1.572 1.00 3.43 H new ATOM 382 N GLU A 25 -2.696 -5.120 4.193 1.00 43.02 N ATOM 383 CA GLU A 25 -3.410 -3.999 4.849 1.00 61.10 C ATOM 384 C GLU A 25 -2.428 -3.083 5.590 1.00 43.31 C ATOM 385 O GLU A 25 -2.607 -1.866 5.614 1.00 62.33 O ATOM 386 CB GLU A 25 -4.505 -4.525 5.825 1.00 32.13 C ATOM 387 CG GLU A 25 -5.622 -5.353 5.144 1.00 33.35 C ATOM 388 CD GLU A 25 -6.428 -4.583 4.071 1.00 51.34 C ATOM 389 OE1 GLU A 25 -7.419 -3.913 4.430 1.00 71.43 O ATOM 390 OE2 GLU A 25 -6.076 -4.638 2.865 1.00 31.34 O ATOM 0 H GLU A 25 -3.004 -6.039 4.511 1.00 43.02 H new ATOM 0 HA GLU A 25 -3.901 -3.418 4.068 1.00 61.10 H new ATOM 0 HB2 GLU A 25 -4.029 -5.139 6.590 1.00 32.13 H new ATOM 0 HB3 GLU A 25 -4.959 -3.675 6.335 1.00 32.13 H new ATOM 0 HG2 GLU A 25 -5.174 -6.233 4.682 1.00 33.35 H new ATOM 0 HG3 GLU A 25 -6.310 -5.711 5.910 1.00 33.35 H new ATOM 397 N LYS A 26 -1.372 -3.704 6.160 1.00 15.01 N ATOM 398 CA LYS A 26 -0.288 -2.996 6.845 1.00 53.53 C ATOM 399 C LYS A 26 0.538 -2.171 5.843 1.00 21.51 C ATOM 400 O LYS A 26 0.820 -1.004 6.098 1.00 0.15 O ATOM 401 CB LYS A 26 0.593 -4.014 7.608 1.00 45.20 C ATOM 402 CG LYS A 26 1.714 -3.395 8.480 1.00 52.01 C ATOM 403 CD LYS A 26 2.412 -4.436 9.405 1.00 61.15 C ATOM 404 CE LYS A 26 3.460 -5.324 8.694 1.00 24.34 C ATOM 405 NZ LYS A 26 2.872 -6.185 7.632 1.00 25.34 N ATOM 0 H LYS A 26 -1.255 -4.717 6.153 1.00 15.01 H new ATOM 0 HA LYS A 26 -0.711 -2.298 7.567 1.00 53.53 H new ATOM 0 HB2 LYS A 26 -0.050 -4.619 8.247 1.00 45.20 H new ATOM 0 HB3 LYS A 26 1.049 -4.689 6.884 1.00 45.20 H new ATOM 0 HG2 LYS A 26 2.460 -2.936 7.831 1.00 52.01 H new ATOM 0 HG3 LYS A 26 1.292 -2.598 9.093 1.00 52.01 H new ATOM 0 HD2 LYS A 26 2.899 -3.907 10.224 1.00 61.15 H new ATOM 0 HD3 LYS A 26 1.651 -5.078 9.848 1.00 61.15 H new ATOM 0 HE2 LYS A 26 4.228 -4.688 8.254 1.00 24.34 H new ATOM 0 HE3 LYS A 26 3.954 -5.955 9.433 1.00 24.34 H new ATOM 0 HZ1 LYS A 26 3.374 -7.096 7.606 1.00 25.34 H new ATOM 0 HZ2 LYS A 26 1.866 -6.350 7.836 1.00 25.34 H new ATOM 0 HZ3 LYS A 26 2.965 -5.712 6.711 1.00 25.34 H new ATOM 419 N GLU A 27 0.874 -2.774 4.681 1.00 11.11 N ATOM 420 CA GLU A 27 1.710 -2.117 3.647 1.00 11.35 C ATOM 421 C GLU A 27 0.971 -0.929 3.030 1.00 72.54 C ATOM 422 O GLU A 27 1.557 0.109 2.768 1.00 34.44 O ATOM 423 CB GLU A 27 2.109 -3.113 2.519 1.00 60.02 C ATOM 424 CG GLU A 27 2.653 -4.469 3.004 1.00 24.14 C ATOM 425 CD GLU A 27 3.718 -4.355 4.110 1.00 15.23 C ATOM 426 OE1 GLU A 27 4.879 -4.021 3.803 1.00 73.02 O ATOM 427 OE2 GLU A 27 3.406 -4.629 5.289 1.00 25.44 O ATOM 0 H GLU A 27 0.578 -3.718 4.434 1.00 11.11 H new ATOM 0 HA GLU A 27 2.616 -1.766 4.141 1.00 11.35 H new ATOM 0 HB2 GLU A 27 1.237 -3.293 1.890 1.00 60.02 H new ATOM 0 HB3 GLU A 27 2.864 -2.641 1.890 1.00 60.02 H new ATOM 0 HG2 GLU A 27 1.823 -5.071 3.373 1.00 24.14 H new ATOM 0 HG3 GLU A 27 3.081 -5.002 2.155 1.00 24.14 H new ATOM 434 N ALA A 28 -0.335 -1.126 2.825 1.00 73.35 N ATOM 435 CA ALA A 28 -1.214 -0.152 2.188 1.00 53.41 C ATOM 436 C ALA A 28 -1.363 1.097 3.058 1.00 22.23 C ATOM 437 O ALA A 28 -1.093 2.212 2.592 1.00 13.34 O ATOM 438 CB ALA A 28 -2.569 -0.796 1.885 1.00 75.04 C ATOM 0 H ALA A 28 -0.815 -1.982 3.103 1.00 73.35 H new ATOM 0 HA ALA A 28 -0.770 0.166 1.245 1.00 53.41 H new ATOM 0 HB1 ALA A 28 -3.222 -0.064 1.409 1.00 75.04 H new ATOM 0 HB2 ALA A 28 -2.427 -1.645 1.216 1.00 75.04 H new ATOM 0 HB3 ALA A 28 -3.025 -1.139 2.814 1.00 75.04 H new ATOM 444 N ARG A 29 -1.720 0.890 4.337 1.00 72.45 N ATOM 445 CA ARG A 29 -1.974 1.996 5.273 1.00 5.30 C ATOM 446 C ARG A 29 -0.673 2.749 5.605 1.00 3.35 C ATOM 447 O ARG A 29 -0.693 3.965 5.766 1.00 52.55 O ATOM 448 CB ARG A 29 -2.677 1.498 6.564 1.00 2.03 C ATOM 449 CG ARG A 29 -1.822 0.607 7.497 1.00 2.32 C ATOM 450 CD ARG A 29 -2.625 0.082 8.696 1.00 60.20 C ATOM 451 NE ARG A 29 -1.805 -0.775 9.579 1.00 72.23 N ATOM 452 CZ ARG A 29 -2.103 -2.027 9.946 1.00 42.54 C ATOM 453 NH1 ARG A 29 -3.208 -2.613 9.509 1.00 1.25 N ATOM 454 NH2 ARG A 29 -1.295 -2.691 10.762 1.00 70.53 N ATOM 0 H ARG A 29 -1.839 -0.037 4.746 1.00 72.45 H new ATOM 0 HA ARG A 29 -2.650 2.695 4.781 1.00 5.30 H new ATOM 0 HB2 ARG A 29 -3.013 2.367 7.130 1.00 2.03 H new ATOM 0 HB3 ARG A 29 -3.569 0.940 6.277 1.00 2.03 H new ATOM 0 HG2 ARG A 29 -1.427 -0.236 6.930 1.00 2.32 H new ATOM 0 HG3 ARG A 29 -0.966 1.178 7.857 1.00 2.32 H new ATOM 0 HD2 ARG A 29 -3.015 0.924 9.268 1.00 60.20 H new ATOM 0 HD3 ARG A 29 -3.484 -0.484 8.337 1.00 60.20 H new ATOM 0 HE ARG A 29 -0.937 -0.378 9.939 1.00 72.23 H new ATOM 0 HH11 ARG A 29 -3.841 -2.110 8.887 1.00 1.25 H new ATOM 0 HH12 ARG A 29 -3.426 -3.568 9.795 1.00 1.25 H new ATOM 0 HH21 ARG A 29 -0.445 -2.247 11.111 1.00 70.53 H new ATOM 0 HH22 ARG A 29 -1.523 -3.645 11.041 1.00 70.53 H new ATOM 468 N ARG A 30 0.459 2.013 5.683 1.00 2.11 N ATOM 469 CA ARG A 30 1.756 2.613 6.022 1.00 13.41 C ATOM 470 C ARG A 30 2.315 3.421 4.859 1.00 22.01 C ATOM 471 O ARG A 30 2.641 4.575 5.061 1.00 60.25 O ATOM 472 CB ARG A 30 2.787 1.550 6.501 1.00 61.11 C ATOM 473 CG ARG A 30 2.503 0.964 7.911 1.00 1.23 C ATOM 474 CD ARG A 30 2.686 1.987 9.062 1.00 71.34 C ATOM 475 NE ARG A 30 1.633 3.027 9.091 1.00 24.11 N ATOM 476 CZ ARG A 30 1.814 4.295 9.468 1.00 54.24 C ATOM 477 NH1 ARG A 30 2.999 4.739 9.872 1.00 1.01 N ATOM 478 NH2 ARG A 30 0.804 5.140 9.427 1.00 61.01 N ATOM 0 H ARG A 30 0.494 1.007 5.515 1.00 2.11 H new ATOM 0 HA ARG A 30 1.578 3.293 6.855 1.00 13.41 H new ATOM 0 HB2 ARG A 30 2.808 0.733 5.780 1.00 61.11 H new ATOM 0 HB3 ARG A 30 3.780 2.000 6.502 1.00 61.11 H new ATOM 0 HG2 ARG A 30 1.483 0.581 7.936 1.00 1.23 H new ATOM 0 HG3 ARG A 30 3.166 0.116 8.082 1.00 1.23 H new ATOM 0 HD2 ARG A 30 2.690 1.456 10.014 1.00 71.34 H new ATOM 0 HD3 ARG A 30 3.659 2.467 8.961 1.00 71.34 H new ATOM 0 HE ARG A 30 0.695 2.753 8.800 1.00 24.11 H new ATOM 0 HH11 ARG A 30 3.798 4.106 9.900 1.00 1.01 H new ATOM 0 HH12 ARG A 30 3.109 5.713 10.155 1.00 1.01 H new ATOM 0 HH21 ARG A 30 -0.112 4.825 9.108 1.00 61.01 H new ATOM 0 HH22 ARG A 30 0.938 6.109 9.714 1.00 61.01 H new ATOM 492 N THR A 31 2.380 2.824 3.652 1.00 42.44 N ATOM 493 CA THR A 31 2.992 3.471 2.465 1.00 2.13 C ATOM 494 C THR A 31 2.248 4.766 2.087 1.00 25.04 C ATOM 495 O THR A 31 2.883 5.784 1.828 1.00 71.32 O ATOM 496 CB THR A 31 3.059 2.508 1.233 1.00 41.44 C ATOM 497 OG1 THR A 31 3.810 1.343 1.602 1.00 11.44 O ATOM 498 CG2 THR A 31 3.714 3.160 -0.012 1.00 73.04 C ATOM 0 H THR A 31 2.015 1.889 3.469 1.00 42.44 H new ATOM 0 HA THR A 31 4.015 3.724 2.744 1.00 2.13 H new ATOM 0 HB THR A 31 2.035 2.254 0.959 1.00 41.44 H new ATOM 0 HG1 THR A 31 3.226 0.713 2.074 1.00 11.44 H new ATOM 0 HG21 THR A 31 3.731 2.442 -0.832 1.00 73.04 H new ATOM 0 HG22 THR A 31 3.138 4.037 -0.309 1.00 73.04 H new ATOM 0 HG23 THR A 31 4.734 3.460 0.229 1.00 73.04 H new ATOM 506 N LYS A 32 0.898 4.717 2.112 1.00 65.14 N ATOM 507 CA LYS A 32 0.040 5.886 1.824 1.00 55.22 C ATOM 508 C LYS A 32 0.350 7.056 2.776 1.00 75.12 C ATOM 509 O LYS A 32 0.464 8.202 2.325 1.00 34.42 O ATOM 510 CB LYS A 32 -1.461 5.483 1.912 1.00 4.45 C ATOM 511 CG LYS A 32 -1.951 4.623 0.727 1.00 31.40 C ATOM 512 CD LYS A 32 -2.016 5.402 -0.614 1.00 74.40 C ATOM 513 CE LYS A 32 -3.291 6.259 -0.774 1.00 21.13 C ATOM 514 NZ LYS A 32 -3.536 7.206 0.350 1.00 50.22 N ATOM 0 H LYS A 32 0.375 3.869 2.332 1.00 65.14 H new ATOM 0 HA LYS A 32 0.253 6.224 0.810 1.00 55.22 H new ATOM 0 HB2 LYS A 32 -1.625 4.933 2.839 1.00 4.45 H new ATOM 0 HB3 LYS A 32 -2.067 6.387 1.966 1.00 4.45 H new ATOM 0 HG2 LYS A 32 -1.287 3.767 0.610 1.00 31.40 H new ATOM 0 HG3 LYS A 32 -2.941 4.229 0.958 1.00 31.40 H new ATOM 0 HD2 LYS A 32 -1.142 6.049 -0.691 1.00 74.40 H new ATOM 0 HD3 LYS A 32 -1.960 4.692 -1.439 1.00 74.40 H new ATOM 0 HE2 LYS A 32 -3.220 6.825 -1.703 1.00 21.13 H new ATOM 0 HE3 LYS A 32 -4.151 5.596 -0.870 1.00 21.13 H new ATOM 0 HZ1 LYS A 32 -4.233 7.920 0.057 1.00 50.22 H new ATOM 0 HZ2 LYS A 32 -3.901 6.683 1.171 1.00 50.22 H new ATOM 0 HZ3 LYS A 32 -2.645 7.677 0.608 1.00 50.22 H new ATOM 528 N GLU A 33 0.509 6.748 4.085 1.00 52.13 N ATOM 529 CA GLU A 33 0.882 7.752 5.098 1.00 75.13 C ATOM 530 C GLU A 33 2.346 8.194 4.936 1.00 3.44 C ATOM 531 O GLU A 33 2.650 9.359 5.140 1.00 4.30 O ATOM 532 CB GLU A 33 0.649 7.218 6.535 1.00 24.42 C ATOM 533 CG GLU A 33 -0.829 6.941 6.890 1.00 63.03 C ATOM 534 CD GLU A 33 -1.766 8.157 6.697 1.00 41.01 C ATOM 535 OE1 GLU A 33 -1.529 9.210 7.327 1.00 10.01 O ATOM 536 OE2 GLU A 33 -2.744 8.061 5.920 1.00 10.34 O ATOM 0 H GLU A 33 0.383 5.808 4.461 1.00 52.13 H new ATOM 0 HA GLU A 33 0.238 8.618 4.941 1.00 75.13 H new ATOM 0 HB2 GLU A 33 1.218 6.297 6.662 1.00 24.42 H new ATOM 0 HB3 GLU A 33 1.050 7.941 7.246 1.00 24.42 H new ATOM 0 HG2 GLU A 33 -1.190 6.117 6.275 1.00 63.03 H new ATOM 0 HG3 GLU A 33 -0.886 6.613 7.928 1.00 63.03 H new ATOM 543 N GLU A 34 3.227 7.249 4.537 1.00 53.34 N ATOM 544 CA GLU A 34 4.683 7.472 4.420 1.00 3.10 C ATOM 545 C GLU A 34 5.003 8.495 3.344 1.00 20.20 C ATOM 546 O GLU A 34 5.956 9.252 3.484 1.00 42.23 O ATOM 547 CB GLU A 34 5.451 6.138 4.157 1.00 21.44 C ATOM 548 CG GLU A 34 5.715 5.289 5.417 1.00 12.05 C ATOM 549 CD GLU A 34 6.636 6.003 6.429 1.00 72.11 C ATOM 550 OE1 GLU A 34 6.131 6.742 7.301 1.00 30.33 O ATOM 551 OE2 GLU A 34 7.871 5.859 6.336 1.00 4.31 O ATOM 0 H GLU A 34 2.943 6.302 4.285 1.00 53.34 H new ATOM 0 HA GLU A 34 5.022 7.870 5.377 1.00 3.10 H new ATOM 0 HB2 GLU A 34 4.881 5.540 3.445 1.00 21.44 H new ATOM 0 HB3 GLU A 34 6.406 6.371 3.685 1.00 21.44 H new ATOM 0 HG2 GLU A 34 4.766 5.054 5.898 1.00 12.05 H new ATOM 0 HG3 GLU A 34 6.168 4.342 5.124 1.00 12.05 H new ATOM 558 N GLU A 35 4.205 8.510 2.277 1.00 50.42 N ATOM 559 CA GLU A 35 4.360 9.476 1.186 1.00 2.04 C ATOM 560 C GLU A 35 3.759 10.848 1.571 1.00 35.41 C ATOM 561 O GLU A 35 4.156 11.885 1.023 1.00 61.33 O ATOM 562 CB GLU A 35 3.689 8.936 -0.099 1.00 30.23 C ATOM 563 CG GLU A 35 4.100 7.499 -0.512 1.00 73.02 C ATOM 564 CD GLU A 35 5.610 7.306 -0.742 1.00 74.22 C ATOM 565 OE1 GLU A 35 6.154 7.857 -1.728 1.00 34.30 O ATOM 566 OE2 GLU A 35 6.271 6.602 0.056 1.00 0.24 O ATOM 0 H GLU A 35 3.434 7.855 2.143 1.00 50.42 H new ATOM 0 HA GLU A 35 5.425 9.615 0.999 1.00 2.04 H new ATOM 0 HB2 GLU A 35 2.608 8.961 0.038 1.00 30.23 H new ATOM 0 HB3 GLU A 35 3.922 9.612 -0.921 1.00 30.23 H new ATOM 0 HG2 GLU A 35 3.772 6.805 0.262 1.00 73.02 H new ATOM 0 HG3 GLU A 35 3.569 7.232 -1.426 1.00 73.02 H new ATOM 573 N CYS A 36 2.798 10.839 2.517 1.00 75.11 N ATOM 574 CA CYS A 36 2.019 12.038 2.895 1.00 54.30 C ATOM 575 C CYS A 36 2.551 12.739 4.157 1.00 51.02 C ATOM 576 O CYS A 36 2.187 13.889 4.416 1.00 52.42 O ATOM 577 CB CYS A 36 0.543 11.633 3.081 1.00 1.35 C ATOM 578 SG CYS A 36 -0.228 10.983 1.563 1.00 60.01 S ATOM 0 H CYS A 36 2.540 10.002 3.040 1.00 75.11 H new ATOM 0 HA CYS A 36 2.119 12.765 2.089 1.00 54.30 H new ATOM 0 HB2 CYS A 36 0.477 10.878 3.865 1.00 1.35 H new ATOM 0 HB3 CYS A 36 -0.023 12.499 3.425 1.00 1.35 H new