USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=6 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= 0.0119 USER MOD Set 1.2: A 15 THR OG1 : rot -89:sc= 0.0134 USER MOD Single : A 3 TYR OH : rot 85:sc= 0.053 USER MOD Single : A 7 SER OG : rot 120:sc= 0 USER MOD Single : A 10 THR OG1 : rot -29:sc= 0.0436 USER MOD Single : A 11 ASN : amide:sc= 0.314 K(o=0.31,f=-3.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.79! C(o=-1.8!,f=-9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N CYS A 2 -3.051 -8.785 -6.529 1.00 12.22 N ATOM 21 CA CYS A 2 -2.191 -7.940 -5.676 1.00 41.42 C ATOM 22 C CYS A 2 -2.997 -6.755 -5.072 1.00 12.25 C ATOM 23 O CYS A 2 -4.211 -6.880 -4.862 1.00 55.23 O ATOM 24 CB CYS A 2 -0.947 -7.488 -6.478 1.00 51.24 C ATOM 25 SG CYS A 2 0.016 -8.874 -7.167 1.00 4.42 S ATOM 0 HA CYS A 2 -1.834 -8.520 -4.825 1.00 41.42 H new ATOM 0 HB2 CYS A 2 -1.266 -6.837 -7.292 1.00 51.24 H new ATOM 0 HB3 CYS A 2 -0.302 -6.895 -5.830 1.00 51.24 H new ATOM 30 N TYR A 3 -2.331 -5.627 -4.768 1.00 24.21 N ATOM 31 CA TYR A 3 -3.004 -4.427 -4.229 1.00 13.22 C ATOM 32 C TYR A 3 -2.508 -3.192 -4.963 1.00 13.22 C ATOM 33 O TYR A 3 -1.434 -2.680 -4.650 1.00 32.04 O ATOM 34 CB TYR A 3 -2.727 -4.300 -2.705 1.00 0.13 C ATOM 35 CG TYR A 3 -3.847 -3.660 -1.862 1.00 61.45 C ATOM 36 CD1 TYR A 3 -5.032 -4.352 -1.622 1.00 25.41 C ATOM 37 CD2 TYR A 3 -3.698 -2.407 -1.254 1.00 44.11 C ATOM 38 CE1 TYR A 3 -6.022 -3.818 -0.829 1.00 5.30 C ATOM 39 CE2 TYR A 3 -4.685 -1.878 -0.448 1.00 74.44 C ATOM 40 CZ TYR A 3 -5.844 -2.589 -0.242 1.00 32.31 C ATOM 41 OH TYR A 3 -6.828 -2.080 0.583 1.00 14.33 O ATOM 0 H TYR A 3 -1.324 -5.519 -4.886 1.00 24.21 H new ATOM 0 HA TYR A 3 -4.080 -4.519 -4.378 1.00 13.22 H new ATOM 0 HB2 TYR A 3 -2.526 -5.295 -2.309 1.00 0.13 H new ATOM 0 HB3 TYR A 3 -1.818 -3.714 -2.569 1.00 0.13 H new ATOM 0 HD1 TYR A 3 -5.176 -5.326 -2.066 1.00 25.41 H new ATOM 0 HD2 TYR A 3 -2.792 -1.843 -1.420 1.00 44.11 H new ATOM 0 HE1 TYR A 3 -6.939 -4.365 -0.668 1.00 5.30 H new ATOM 0 HE2 TYR A 3 -4.548 -0.913 0.017 1.00 74.44 H new ATOM 0 HH TYR A 3 -6.704 -2.426 1.492 1.00 14.33 H new ATOM 51 N THR A 4 -3.262 -2.754 -5.973 1.00 61.34 N ATOM 52 CA THR A 4 -2.987 -1.500 -6.668 1.00 34.01 C ATOM 53 C THR A 4 -3.760 -0.365 -5.970 1.00 22.11 C ATOM 54 O THR A 4 -4.990 -0.421 -5.865 1.00 43.54 O ATOM 55 CB THR A 4 -3.380 -1.599 -8.179 1.00 14.13 C ATOM 56 OG1 THR A 4 -2.748 -2.753 -8.765 1.00 51.11 O ATOM 57 CG2 THR A 4 -2.967 -0.345 -8.970 1.00 24.44 C ATOM 0 H THR A 4 -4.075 -3.257 -6.329 1.00 61.34 H new ATOM 0 HA THR A 4 -1.918 -1.289 -6.626 1.00 34.01 H new ATOM 0 HB THR A 4 -4.465 -1.686 -8.230 1.00 14.13 H new ATOM 0 HG1 THR A 4 -2.995 -2.816 -9.711 1.00 51.11 H new ATOM 0 HG21 THR A 4 -3.260 -0.460 -10.013 1.00 24.44 H new ATOM 0 HG22 THR A 4 -3.461 0.530 -8.548 1.00 24.44 H new ATOM 0 HG23 THR A 4 -1.886 -0.216 -8.909 1.00 24.44 H new ATOM 65 N PHE A 5 -3.026 0.636 -5.468 1.00 51.35 N ATOM 66 CA PHE A 5 -3.597 1.787 -4.742 1.00 64.15 C ATOM 67 C PHE A 5 -2.757 3.034 -5.033 1.00 72.15 C ATOM 68 O PHE A 5 -1.554 2.931 -5.272 1.00 5.20 O ATOM 69 CB PHE A 5 -3.665 1.505 -3.211 1.00 62.14 C ATOM 70 CG PHE A 5 -2.319 1.167 -2.541 1.00 24.13 C ATOM 71 CD1 PHE A 5 -1.735 -0.085 -2.722 1.00 74.41 C ATOM 72 CD2 PHE A 5 -1.658 2.082 -1.716 1.00 5.22 C ATOM 73 CE1 PHE A 5 -0.545 -0.419 -2.113 1.00 34.22 C ATOM 74 CE2 PHE A 5 -0.462 1.745 -1.100 1.00 14.55 C ATOM 75 CZ PHE A 5 0.091 0.491 -1.301 1.00 50.41 C ATOM 0 H PHE A 5 -2.010 0.674 -5.553 1.00 51.35 H new ATOM 0 HA PHE A 5 -4.618 1.955 -5.086 1.00 64.15 H new ATOM 0 HB2 PHE A 5 -4.089 2.379 -2.716 1.00 62.14 H new ATOM 0 HB3 PHE A 5 -4.354 0.678 -3.041 1.00 62.14 H new ATOM 0 HD1 PHE A 5 -2.226 -0.810 -3.354 1.00 74.41 H new ATOM 0 HD2 PHE A 5 -2.083 3.062 -1.557 1.00 5.22 H new ATOM 0 HE1 PHE A 5 -0.112 -1.395 -2.273 1.00 34.22 H new ATOM 0 HE2 PHE A 5 0.038 2.460 -0.464 1.00 14.55 H new ATOM 0 HZ PHE A 5 1.022 0.228 -0.820 1.00 50.41 H new ATOM 85 N ARG A 6 -3.395 4.206 -4.992 1.00 42.32 N ATOM 86 CA ARG A 6 -2.761 5.484 -5.345 1.00 5.11 C ATOM 87 C ARG A 6 -2.623 6.373 -4.099 1.00 22.32 C ATOM 88 O ARG A 6 -3.542 6.456 -3.272 1.00 21.11 O ATOM 89 CB ARG A 6 -3.624 6.203 -6.420 1.00 51.02 C ATOM 90 CG ARG A 6 -3.077 7.579 -6.860 1.00 34.51 C ATOM 91 CD ARG A 6 -4.025 8.345 -7.809 1.00 22.31 C ATOM 92 NE ARG A 6 -3.546 9.713 -8.057 1.00 44.34 N ATOM 93 CZ ARG A 6 -4.282 10.829 -7.952 1.00 72.54 C ATOM 94 NH1 ARG A 6 -5.571 10.785 -7.601 1.00 3.32 N ATOM 95 NH2 ARG A 6 -3.717 11.991 -8.202 1.00 42.12 N ATOM 0 H ARG A 6 -4.371 4.298 -4.712 1.00 42.32 H new ATOM 0 HA ARG A 6 -1.765 5.294 -5.744 1.00 5.11 H new ATOM 0 HB2 ARG A 6 -3.702 5.559 -7.296 1.00 51.02 H new ATOM 0 HB3 ARG A 6 -4.633 6.334 -6.030 1.00 51.02 H new ATOM 0 HG2 ARG A 6 -2.893 8.188 -5.975 1.00 34.51 H new ATOM 0 HG3 ARG A 6 -2.116 7.438 -7.355 1.00 34.51 H new ATOM 0 HD2 ARG A 6 -4.106 7.809 -8.755 1.00 22.31 H new ATOM 0 HD3 ARG A 6 -5.025 8.381 -7.376 1.00 22.31 H new ATOM 0 HE ARG A 6 -2.570 9.822 -8.333 1.00 44.34 H new ATOM 0 HH11 ARG A 6 -6.016 9.888 -7.406 1.00 3.32 H new ATOM 0 HH12 ARG A 6 -6.109 11.648 -7.528 1.00 3.32 H new ATOM 0 HH21 ARG A 6 -2.734 12.033 -8.471 1.00 42.12 H new ATOM 0 HH22 ARG A 6 -4.262 12.850 -8.127 1.00 42.12 H new ATOM 109 N SER A 7 -1.462 7.035 -3.976 1.00 2.14 N ATOM 110 CA SER A 7 -1.224 8.091 -2.990 1.00 70.53 C ATOM 111 C SER A 7 -1.122 9.439 -3.726 1.00 60.12 C ATOM 112 O SER A 7 -0.154 9.681 -4.443 1.00 21.34 O ATOM 113 CB SER A 7 0.070 7.804 -2.192 1.00 11.23 C ATOM 114 OG SER A 7 0.281 8.783 -1.183 1.00 13.01 O ATOM 0 H SER A 7 -0.654 6.846 -4.569 1.00 2.14 H new ATOM 0 HA SER A 7 -2.050 8.126 -2.280 1.00 70.53 H new ATOM 0 HB2 SER A 7 0.007 6.816 -1.736 1.00 11.23 H new ATOM 0 HB3 SER A 7 0.923 7.788 -2.871 1.00 11.23 H new ATOM 0 HG SER A 7 0.298 8.349 -0.305 1.00 13.01 H new ATOM 120 N GLU A 8 -2.161 10.276 -3.564 1.00 35.52 N ATOM 121 CA GLU A 8 -2.239 11.648 -4.131 1.00 30.43 C ATOM 122 C GLU A 8 -1.132 12.579 -3.576 1.00 34.54 C ATOM 123 O GLU A 8 -0.752 13.554 -4.224 1.00 44.41 O ATOM 124 CB GLU A 8 -3.638 12.243 -3.814 1.00 70.45 C ATOM 125 CG GLU A 8 -3.970 12.253 -2.307 1.00 51.31 C ATOM 126 CD GLU A 8 -5.378 12.754 -1.990 1.00 25.45 C ATOM 127 OE1 GLU A 8 -5.579 13.984 -1.944 1.00 1.05 O ATOM 128 OE2 GLU A 8 -6.285 11.924 -1.760 1.00 35.24 O ATOM 0 H GLU A 8 -2.989 10.020 -3.027 1.00 35.52 H new ATOM 0 HA GLU A 8 -2.086 11.578 -5.208 1.00 30.43 H new ATOM 0 HB2 GLU A 8 -3.687 13.263 -4.196 1.00 70.45 H new ATOM 0 HB3 GLU A 8 -4.398 11.668 -4.343 1.00 70.45 H new ATOM 0 HG2 GLU A 8 -3.856 11.243 -1.913 1.00 51.31 H new ATOM 0 HG3 GLU A 8 -3.245 12.881 -1.789 1.00 51.31 H new ATOM 135 N CYS A 9 -0.614 12.226 -2.387 1.00 21.23 N ATOM 136 CA CYS A 9 0.443 12.977 -1.672 1.00 44.11 C ATOM 137 C CYS A 9 1.792 13.003 -2.443 1.00 61.41 C ATOM 138 O CYS A 9 2.687 13.798 -2.137 1.00 13.40 O ATOM 139 CB CYS A 9 0.645 12.321 -0.304 1.00 44.12 C ATOM 140 SG CYS A 9 -0.851 12.214 0.739 1.00 25.14 S ATOM 0 H CYS A 9 -0.922 11.395 -1.882 1.00 21.23 H new ATOM 0 HA CYS A 9 0.120 14.014 -1.576 1.00 44.11 H new ATOM 0 HB2 CYS A 9 1.035 11.314 -0.456 1.00 44.12 H new ATOM 0 HB3 CYS A 9 1.407 12.879 0.239 1.00 44.12 H new ATOM 145 N THR A 10 1.914 12.105 -3.421 1.00 13.31 N ATOM 146 CA THR A 10 3.118 11.913 -4.248 1.00 75.31 C ATOM 147 C THR A 10 2.698 11.682 -5.714 1.00 20.14 C ATOM 148 O THR A 10 3.526 11.733 -6.626 1.00 55.33 O ATOM 149 CB THR A 10 3.919 10.690 -3.703 1.00 74.10 C ATOM 150 OG1 THR A 10 5.111 10.440 -4.474 1.00 44.33 O ATOM 151 CG2 THR A 10 3.046 9.428 -3.677 1.00 21.20 C ATOM 0 H THR A 10 1.157 11.469 -3.672 1.00 13.31 H new ATOM 0 HA THR A 10 3.753 12.798 -4.204 1.00 75.31 H new ATOM 0 HB THR A 10 4.219 10.939 -2.685 1.00 74.10 H new ATOM 0 HG1 THR A 10 4.972 10.738 -5.397 1.00 44.33 H new ATOM 0 HG21 THR A 10 3.628 8.590 -3.293 1.00 21.20 H new ATOM 0 HG22 THR A 10 2.183 9.596 -3.032 1.00 21.20 H new ATOM 0 HG23 THR A 10 2.705 9.200 -4.687 1.00 21.20 H new ATOM 159 N ASN A 11 1.373 11.452 -5.899 1.00 23.53 N ATOM 160 CA ASN A 11 0.737 11.122 -7.181 1.00 51.13 C ATOM 161 C ASN A 11 1.338 9.817 -7.754 1.00 43.34 C ATOM 162 O ASN A 11 1.463 9.643 -8.966 1.00 63.33 O ATOM 163 CB ASN A 11 0.827 12.347 -8.148 1.00 21.31 C ATOM 164 CG ASN A 11 -0.048 12.233 -9.407 1.00 4.21 C ATOM 165 OD1 ASN A 11 -1.217 12.620 -9.407 1.00 64.53 O ATOM 166 ND2 ASN A 11 0.504 11.706 -10.489 1.00 20.01 N ATOM 0 H ASN A 11 0.705 11.495 -5.130 1.00 23.53 H new ATOM 0 HA ASN A 11 -0.325 10.923 -7.041 1.00 51.13 H new ATOM 0 HB2 ASN A 11 0.540 13.246 -7.602 1.00 21.31 H new ATOM 0 HB3 ASN A 11 1.865 12.477 -8.453 1.00 21.31 H new ATOM 0 HD21 ASN A 11 -0.041 11.614 -11.346 1.00 20.01 H new ATOM 0 HD22 ASN A 11 1.474 11.392 -10.465 1.00 20.01 H new ATOM 173 N LYS A 12 1.657 8.863 -6.859 1.00 4.30 N ATOM 174 CA LYS A 12 2.296 7.590 -7.236 1.00 70.50 C ATOM 175 C LYS A 12 1.338 6.426 -6.958 1.00 13.34 C ATOM 176 O LYS A 12 0.583 6.451 -5.984 1.00 2.34 O ATOM 177 CB LYS A 12 3.623 7.385 -6.448 1.00 51.03 C ATOM 178 CG LYS A 12 4.604 6.383 -7.092 1.00 24.42 C ATOM 179 CD LYS A 12 5.190 6.945 -8.403 1.00 53.20 C ATOM 180 CE LYS A 12 6.157 5.995 -9.106 1.00 64.04 C ATOM 181 NZ LYS A 12 6.826 6.676 -10.252 1.00 3.33 N ATOM 0 H LYS A 12 1.480 8.953 -5.859 1.00 4.30 H new ATOM 0 HA LYS A 12 2.529 7.620 -8.300 1.00 70.50 H new ATOM 0 HB2 LYS A 12 4.123 8.348 -6.347 1.00 51.03 H new ATOM 0 HB3 LYS A 12 3.383 7.043 -5.441 1.00 51.03 H new ATOM 0 HG2 LYS A 12 5.412 6.161 -6.395 1.00 24.42 H new ATOM 0 HG3 LYS A 12 4.089 5.444 -7.293 1.00 24.42 H new ATOM 0 HD2 LYS A 12 4.372 7.183 -9.083 1.00 53.20 H new ATOM 0 HD3 LYS A 12 5.707 7.880 -8.187 1.00 53.20 H new ATOM 0 HE2 LYS A 12 6.907 5.642 -8.398 1.00 64.04 H new ATOM 0 HE3 LYS A 12 5.618 5.117 -9.463 1.00 64.04 H new ATOM 0 HZ1 LYS A 12 7.479 6.013 -10.716 1.00 3.33 H new ATOM 0 HZ2 LYS A 12 6.108 6.991 -10.936 1.00 3.33 H new ATOM 0 HZ3 LYS A 12 7.358 7.499 -9.904 1.00 3.33 H new ATOM 195 N GLU A 13 1.407 5.411 -7.811 1.00 55.11 N ATOM 196 CA GLU A 13 0.609 4.181 -7.694 1.00 22.44 C ATOM 197 C GLU A 13 1.537 3.032 -7.273 1.00 13.03 C ATOM 198 O GLU A 13 2.655 2.904 -7.781 1.00 71.51 O ATOM 199 CB GLU A 13 -0.131 3.853 -9.032 1.00 14.32 C ATOM 200 CG GLU A 13 0.750 3.649 -10.293 1.00 71.40 C ATOM 201 CD GLU A 13 1.452 4.933 -10.793 1.00 13.43 C ATOM 202 OE1 GLU A 13 0.779 5.785 -11.413 1.00 31.40 O ATOM 203 OE2 GLU A 13 2.672 5.108 -10.543 1.00 34.12 O ATOM 0 H GLU A 13 2.028 5.413 -8.620 1.00 55.11 H new ATOM 0 HA GLU A 13 -0.163 4.320 -6.937 1.00 22.44 H new ATOM 0 HB2 GLU A 13 -0.720 2.948 -8.880 1.00 14.32 H new ATOM 0 HB3 GLU A 13 -0.834 4.660 -9.237 1.00 14.32 H new ATOM 0 HG2 GLU A 13 1.507 2.896 -10.075 1.00 71.40 H new ATOM 0 HG3 GLU A 13 0.129 3.252 -11.096 1.00 71.40 H new ATOM 210 N PHE A 14 1.075 2.222 -6.324 1.00 2.13 N ATOM 211 CA PHE A 14 1.855 1.121 -5.742 1.00 41.22 C ATOM 212 C PHE A 14 1.087 -0.182 -5.957 1.00 4.30 C ATOM 213 O PHE A 14 -0.147 -0.183 -5.932 1.00 61.21 O ATOM 214 CB PHE A 14 2.078 1.364 -4.224 1.00 71.00 C ATOM 215 CG PHE A 14 2.658 2.734 -3.905 1.00 21.42 C ATOM 216 CD1 PHE A 14 4.034 2.956 -3.956 1.00 52.33 C ATOM 217 CD2 PHE A 14 1.824 3.806 -3.578 1.00 3.54 C ATOM 218 CE1 PHE A 14 4.558 4.201 -3.690 1.00 61.30 C ATOM 219 CE2 PHE A 14 2.351 5.049 -3.316 1.00 64.21 C ATOM 220 CZ PHE A 14 3.715 5.245 -3.369 1.00 62.52 C ATOM 0 H PHE A 14 0.138 2.308 -5.930 1.00 2.13 H new ATOM 0 HA PHE A 14 2.831 1.063 -6.225 1.00 41.22 H new ATOM 0 HB2 PHE A 14 1.127 1.251 -3.703 1.00 71.00 H new ATOM 0 HB3 PHE A 14 2.747 0.596 -3.836 1.00 71.00 H new ATOM 0 HD1 PHE A 14 4.697 2.141 -4.207 1.00 52.33 H new ATOM 0 HD2 PHE A 14 0.755 3.657 -3.531 1.00 3.54 H new ATOM 0 HE1 PHE A 14 5.625 4.360 -3.732 1.00 61.30 H new ATOM 0 HE2 PHE A 14 1.697 5.872 -3.069 1.00 64.21 H new ATOM 0 HZ PHE A 14 4.126 6.221 -3.158 1.00 62.52 H new ATOM 230 N THR A 15 1.816 -1.278 -6.191 1.00 2.11 N ATOM 231 CA THR A 15 1.240 -2.614 -6.348 1.00 34.24 C ATOM 232 C THR A 15 2.067 -3.603 -5.510 1.00 61.21 C ATOM 233 O THR A 15 3.252 -3.815 -5.780 1.00 13.23 O ATOM 234 CB THR A 15 1.211 -3.030 -7.855 1.00 63.52 C ATOM 235 OG1 THR A 15 0.488 -2.035 -8.612 1.00 34.02 O ATOM 236 CG2 THR A 15 0.551 -4.405 -8.077 1.00 22.51 C ATOM 0 H THR A 15 2.832 -1.261 -6.277 1.00 2.11 H new ATOM 0 HA THR A 15 0.208 -2.618 -5.996 1.00 34.24 H new ATOM 0 HB THR A 15 2.245 -3.101 -8.191 1.00 63.52 H new ATOM 0 HG1 THR A 15 -0.465 -2.265 -8.628 1.00 34.02 H new ATOM 0 HG21 THR A 15 0.558 -4.644 -9.140 1.00 22.51 H new ATOM 0 HG22 THR A 15 1.106 -5.167 -7.530 1.00 22.51 H new ATOM 0 HG23 THR A 15 -0.478 -4.377 -7.718 1.00 22.51 H new ATOM 244 N VAL A 16 1.428 -4.188 -4.488 1.00 61.20 N ATOM 245 CA VAL A 16 2.099 -5.049 -3.496 1.00 15.21 C ATOM 246 C VAL A 16 1.324 -6.373 -3.341 1.00 42.53 C ATOM 247 O VAL A 16 0.085 -6.377 -3.291 1.00 43.34 O ATOM 248 CB VAL A 16 2.242 -4.276 -2.131 1.00 52.40 C ATOM 249 CG1 VAL A 16 0.889 -3.782 -1.575 1.00 40.23 C ATOM 250 CG2 VAL A 16 3.008 -5.103 -1.080 1.00 34.21 C ATOM 0 H VAL A 16 0.427 -4.079 -4.323 1.00 61.20 H new ATOM 0 HA VAL A 16 3.103 -5.299 -3.837 1.00 15.21 H new ATOM 0 HB VAL A 16 2.833 -3.387 -2.352 1.00 52.40 H new ATOM 0 HG11 VAL A 16 1.052 -3.257 -0.634 1.00 40.23 H new ATOM 0 HG12 VAL A 16 0.426 -3.105 -2.293 1.00 40.23 H new ATOM 0 HG13 VAL A 16 0.232 -4.635 -1.406 1.00 40.23 H new ATOM 0 HG21 VAL A 16 3.084 -4.533 -0.154 1.00 34.21 H new ATOM 0 HG22 VAL A 16 2.474 -6.034 -0.890 1.00 34.21 H new ATOM 0 HG23 VAL A 16 4.008 -5.327 -1.452 1.00 34.21 H new ATOM 260 N CYS A 17 2.065 -7.497 -3.300 1.00 3.22 N ATOM 261 CA CYS A 17 1.489 -8.859 -3.327 1.00 52.02 C ATOM 262 C CYS A 17 2.077 -9.710 -2.176 1.00 52.25 C ATOM 263 O CYS A 17 3.196 -10.227 -2.284 1.00 13.04 O ATOM 264 CB CYS A 17 1.752 -9.518 -4.729 1.00 42.31 C ATOM 265 SG CYS A 17 0.256 -10.126 -5.586 1.00 65.32 S ATOM 0 H CYS A 17 3.084 -7.488 -3.247 1.00 3.22 H new ATOM 0 HA CYS A 17 0.411 -8.803 -3.177 1.00 52.02 H new ATOM 0 HB2 CYS A 17 2.249 -8.789 -5.369 1.00 42.31 H new ATOM 0 HB3 CYS A 17 2.442 -10.351 -4.599 1.00 42.31 H new ATOM 270 N ARG A 18 1.334 -9.796 -1.058 1.00 42.51 N ATOM 271 CA ARG A 18 1.680 -10.645 0.114 1.00 14.04 C ATOM 272 C ARG A 18 0.968 -12.023 -0.003 1.00 4.54 C ATOM 273 O ARG A 18 0.084 -12.178 -0.850 1.00 63.03 O ATOM 274 CB ARG A 18 1.286 -9.905 1.441 1.00 33.01 C ATOM 275 CG ARG A 18 2.415 -9.087 2.114 1.00 31.04 C ATOM 276 CD ARG A 18 3.040 -8.001 1.220 1.00 2.52 C ATOM 277 NE ARG A 18 3.982 -7.152 1.986 1.00 54.44 N ATOM 278 CZ ARG A 18 5.131 -6.636 1.518 1.00 23.53 C ATOM 279 NH1 ARG A 18 5.540 -6.865 0.274 1.00 65.32 N ATOM 280 NH2 ARG A 18 5.854 -5.846 2.297 1.00 21.32 N ATOM 0 H ARG A 18 0.466 -9.275 -0.934 1.00 42.51 H new ATOM 0 HA ARG A 18 2.755 -10.823 0.134 1.00 14.04 H new ATOM 0 HB2 ARG A 18 0.454 -9.234 1.228 1.00 33.01 H new ATOM 0 HB3 ARG A 18 0.924 -10.645 2.154 1.00 33.01 H new ATOM 0 HG2 ARG A 18 2.018 -8.615 3.013 1.00 31.04 H new ATOM 0 HG3 ARG A 18 3.200 -9.772 2.434 1.00 31.04 H new ATOM 0 HD2 ARG A 18 3.564 -8.469 0.387 1.00 2.52 H new ATOM 0 HD3 ARG A 18 2.252 -7.380 0.793 1.00 2.52 H new ATOM 0 HE ARG A 18 3.737 -6.941 2.953 1.00 54.44 H new ATOM 0 HH11 ARG A 18 4.977 -7.444 -0.349 1.00 65.32 H new ATOM 0 HH12 ARG A 18 6.416 -6.462 -0.057 1.00 65.32 H new ATOM 0 HH21 ARG A 18 5.537 -5.634 3.243 1.00 21.32 H new ATOM 0 HH22 ARG A 18 6.728 -5.449 1.951 1.00 21.32 H new ATOM 294 N PRO A 19 1.314 -13.051 0.855 1.00 32.31 N ATOM 295 CA PRO A 19 0.596 -14.365 0.858 1.00 10.21 C ATOM 296 C PRO A 19 -0.861 -14.263 1.377 1.00 74.33 C ATOM 297 O PRO A 19 -1.654 -15.198 1.195 1.00 44.11 O ATOM 298 CB PRO A 19 1.473 -15.240 1.781 1.00 14.11 C ATOM 299 CG PRO A 19 2.130 -14.262 2.706 1.00 75.23 C ATOM 300 CD PRO A 19 2.438 -13.057 1.852 1.00 22.23 C ATOM 0 HA PRO A 19 0.480 -14.772 -0.147 1.00 10.21 H new ATOM 0 HB2 PRO A 19 0.872 -15.965 2.330 1.00 14.11 H new ATOM 0 HB3 PRO A 19 2.210 -15.805 1.210 1.00 14.11 H new ATOM 0 HG2 PRO A 19 1.472 -14.000 3.534 1.00 75.23 H new ATOM 0 HG3 PRO A 19 3.038 -14.680 3.140 1.00 75.23 H new ATOM 0 HD2 PRO A 19 2.459 -12.140 2.441 1.00 22.23 H new ATOM 0 HD3 PRO A 19 3.409 -13.146 1.365 1.00 22.23 H new ATOM 308 N ASN A 20 -1.197 -13.125 2.019 1.00 31.03 N ATOM 309 CA ASN A 20 -2.556 -12.842 2.530 1.00 2.51 C ATOM 310 C ASN A 20 -2.817 -11.305 2.563 1.00 73.42 C ATOM 311 O ASN A 20 -1.886 -10.530 2.832 1.00 12.32 O ATOM 312 CB ASN A 20 -2.759 -13.453 3.947 1.00 52.13 C ATOM 313 CG ASN A 20 -1.753 -12.946 4.977 1.00 0.12 C ATOM 314 OD1 ASN A 20 -1.919 -11.882 5.556 1.00 22.41 O ATOM 315 ND2 ASN A 20 -0.712 -13.705 5.215 1.00 44.44 N ATOM 0 H ASN A 20 -0.531 -12.373 2.199 1.00 31.03 H new ATOM 0 HA ASN A 20 -3.273 -13.306 1.853 1.00 2.51 H new ATOM 0 HB2 ASN A 20 -3.767 -13.224 4.292 1.00 52.13 H new ATOM 0 HB3 ASN A 20 -2.684 -14.538 3.881 1.00 52.13 H new ATOM 0 HD21 ASN A 20 -0.014 -13.413 5.899 1.00 44.44 H new ATOM 0 HD22 ASN A 20 -0.600 -14.588 4.717 1.00 44.44 H new ATOM 322 N PRO A 21 -4.092 -10.846 2.299 1.00 24.22 N ATOM 323 CA PRO A 21 -4.483 -9.403 2.343 1.00 33.11 C ATOM 324 C PRO A 21 -4.361 -8.751 3.747 1.00 35.03 C ATOM 325 O PRO A 21 -4.316 -7.519 3.842 1.00 75.25 O ATOM 326 CB PRO A 21 -5.953 -9.404 1.834 1.00 40.42 C ATOM 327 CG PRO A 21 -6.441 -10.797 2.088 1.00 74.32 C ATOM 328 CD PRO A 21 -5.242 -11.686 1.860 1.00 4.32 C ATOM 0 HA PRO A 21 -3.811 -8.797 1.735 1.00 33.11 H new ATOM 0 HB2 PRO A 21 -6.557 -8.669 2.366 1.00 40.42 H new ATOM 0 HB3 PRO A 21 -6.006 -9.153 0.775 1.00 40.42 H new ATOM 0 HG2 PRO A 21 -6.821 -10.902 3.104 1.00 74.32 H new ATOM 0 HG3 PRO A 21 -7.257 -11.057 1.414 1.00 74.32 H new ATOM 0 HD2 PRO A 21 -5.310 -12.607 2.440 1.00 4.32 H new ATOM 0 HD3 PRO A 21 -5.151 -11.975 0.813 1.00 4.32 H new ATOM 336 N GLU A 22 -4.282 -9.581 4.818 1.00 43.25 N ATOM 337 CA GLU A 22 -4.115 -9.109 6.217 1.00 72.33 C ATOM 338 C GLU A 22 -2.830 -8.266 6.355 1.00 35.32 C ATOM 339 O GLU A 22 -2.849 -7.146 6.889 1.00 12.25 O ATOM 340 CB GLU A 22 -4.032 -10.320 7.186 1.00 30.24 C ATOM 341 CG GLU A 22 -4.070 -9.979 8.690 1.00 74.40 C ATOM 342 CD GLU A 22 -5.451 -9.508 9.170 1.00 51.54 C ATOM 343 OE1 GLU A 22 -6.328 -10.368 9.413 1.00 53.42 O ATOM 344 OE2 GLU A 22 -5.674 -8.286 9.303 1.00 1.15 O ATOM 0 H GLU A 22 -4.332 -10.596 4.736 1.00 43.25 H new ATOM 0 HA GLU A 22 -4.978 -8.494 6.472 1.00 72.33 H new ATOM 0 HB2 GLU A 22 -4.858 -10.996 6.965 1.00 30.24 H new ATOM 0 HB3 GLU A 22 -3.111 -10.865 6.979 1.00 30.24 H new ATOM 0 HG2 GLU A 22 -3.774 -10.858 9.263 1.00 74.40 H new ATOM 0 HG3 GLU A 22 -3.336 -9.201 8.898 1.00 74.40 H new ATOM 351 N GLU A 23 -1.721 -8.843 5.840 1.00 75.42 N ATOM 352 CA GLU A 23 -0.399 -8.204 5.819 1.00 14.33 C ATOM 353 C GLU A 23 -0.396 -6.969 4.923 1.00 3.43 C ATOM 354 O GLU A 23 0.245 -5.970 5.242 1.00 4.41 O ATOM 355 CB GLU A 23 0.679 -9.190 5.319 1.00 24.44 C ATOM 356 CG GLU A 23 0.957 -10.377 6.250 1.00 22.33 C ATOM 357 CD GLU A 23 2.071 -11.283 5.712 1.00 32.44 C ATOM 358 OE1 GLU A 23 3.162 -10.763 5.392 1.00 2.14 O ATOM 359 OE2 GLU A 23 1.873 -12.507 5.611 1.00 13.54 O ATOM 0 H GLU A 23 -1.726 -9.775 5.425 1.00 75.42 H new ATOM 0 HA GLU A 23 -0.171 -7.903 6.841 1.00 14.33 H new ATOM 0 HB2 GLU A 23 0.374 -9.575 4.346 1.00 24.44 H new ATOM 0 HB3 GLU A 23 1.609 -8.642 5.167 1.00 24.44 H new ATOM 0 HG2 GLU A 23 1.236 -10.006 7.236 1.00 22.33 H new ATOM 0 HG3 GLU A 23 0.045 -10.960 6.376 1.00 22.33 H new ATOM 366 N VAL A 24 -1.142 -7.049 3.814 1.00 11.43 N ATOM 367 CA VAL A 24 -1.146 -5.999 2.792 1.00 3.21 C ATOM 368 C VAL A 24 -1.702 -4.683 3.360 1.00 72.22 C ATOM 369 O VAL A 24 -1.172 -3.626 3.063 1.00 62.30 O ATOM 370 CB VAL A 24 -1.960 -6.402 1.518 1.00 64.05 C ATOM 371 CG1 VAL A 24 -1.852 -5.307 0.445 1.00 23.44 C ATOM 372 CG2 VAL A 24 -1.498 -7.759 0.958 1.00 61.30 C ATOM 0 H VAL A 24 -1.754 -7.837 3.602 1.00 11.43 H new ATOM 0 HA VAL A 24 -0.107 -5.859 2.493 1.00 3.21 H new ATOM 0 HB VAL A 24 -3.005 -6.506 1.809 1.00 64.05 H new ATOM 0 HG11 VAL A 24 -2.424 -5.602 -0.435 1.00 23.44 H new ATOM 0 HG12 VAL A 24 -2.249 -4.371 0.839 1.00 23.44 H new ATOM 0 HG13 VAL A 24 -0.806 -5.170 0.169 1.00 23.44 H new ATOM 0 HG21 VAL A 24 -2.085 -8.007 0.074 1.00 61.30 H new ATOM 0 HG22 VAL A 24 -0.443 -7.701 0.689 1.00 61.30 H new ATOM 0 HG23 VAL A 24 -1.638 -8.531 1.714 1.00 61.30 H new ATOM 382 N GLU A 25 -2.750 -4.780 4.210 1.00 42.14 N ATOM 383 CA GLU A 25 -3.359 -3.596 4.855 1.00 31.14 C ATOM 384 C GLU A 25 -2.340 -2.882 5.749 1.00 54.45 C ATOM 385 O GLU A 25 -2.296 -1.656 5.767 1.00 3.54 O ATOM 386 CB GLU A 25 -4.605 -3.972 5.690 1.00 3.22 C ATOM 387 CG GLU A 25 -5.691 -4.733 4.922 1.00 3.50 C ATOM 388 CD GLU A 25 -6.148 -4.047 3.613 1.00 33.21 C ATOM 389 OE1 GLU A 25 -6.876 -3.029 3.681 1.00 13.02 O ATOM 390 OE2 GLU A 25 -5.798 -4.539 2.515 1.00 25.20 O ATOM 0 H GLU A 25 -3.190 -5.664 4.464 1.00 42.14 H new ATOM 0 HA GLU A 25 -3.674 -2.925 4.056 1.00 31.14 H new ATOM 0 HB2 GLU A 25 -4.287 -4.579 6.537 1.00 3.22 H new ATOM 0 HB3 GLU A 25 -5.040 -3.059 6.097 1.00 3.22 H new ATOM 0 HG2 GLU A 25 -5.320 -5.730 4.685 1.00 3.50 H new ATOM 0 HG3 GLU A 25 -6.557 -4.861 5.572 1.00 3.50 H new ATOM 397 N LYS A 26 -1.519 -3.683 6.466 1.00 52.31 N ATOM 398 CA LYS A 26 -0.443 -3.171 7.343 1.00 15.30 C ATOM 399 C LYS A 26 0.549 -2.319 6.521 1.00 62.20 C ATOM 400 O LYS A 26 0.841 -1.181 6.873 1.00 35.01 O ATOM 401 CB LYS A 26 0.335 -4.344 8.017 1.00 62.45 C ATOM 402 CG LYS A 26 -0.531 -5.411 8.713 1.00 12.34 C ATOM 403 CD LYS A 26 -1.328 -4.891 9.928 1.00 11.32 C ATOM 404 CE LYS A 26 -2.138 -6.012 10.604 1.00 1.01 C ATOM 405 NZ LYS A 26 -2.866 -5.526 11.809 1.00 10.11 N ATOM 0 H LYS A 26 -1.584 -4.701 6.452 1.00 52.31 H new ATOM 0 HA LYS A 26 -0.906 -2.560 8.118 1.00 15.30 H new ATOM 0 HB2 LYS A 26 0.943 -4.836 7.257 1.00 62.45 H new ATOM 0 HB3 LYS A 26 1.022 -3.924 8.752 1.00 62.45 H new ATOM 0 HG2 LYS A 26 -1.229 -5.826 7.986 1.00 12.34 H new ATOM 0 HG3 LYS A 26 0.113 -6.228 9.039 1.00 12.34 H new ATOM 0 HD2 LYS A 26 -0.641 -4.452 10.652 1.00 11.32 H new ATOM 0 HD3 LYS A 26 -2.003 -4.098 9.607 1.00 11.32 H new ATOM 0 HE2 LYS A 26 -2.852 -6.424 9.891 1.00 1.01 H new ATOM 0 HE3 LYS A 26 -1.467 -6.823 10.888 1.00 1.01 H new ATOM 0 HZ1 LYS A 26 -3.398 -6.312 12.234 1.00 10.11 H new ATOM 0 HZ2 LYS A 26 -2.184 -5.156 12.501 1.00 10.11 H new ATOM 0 HZ3 LYS A 26 -3.525 -4.770 11.535 1.00 10.11 H new ATOM 419 N GLU A 27 1.000 -2.894 5.389 1.00 21.32 N ATOM 420 CA GLU A 27 2.037 -2.311 4.524 1.00 10.23 C ATOM 421 C GLU A 27 1.491 -1.100 3.749 1.00 70.44 C ATOM 422 O GLU A 27 2.171 -0.096 3.610 1.00 24.25 O ATOM 423 CB GLU A 27 2.564 -3.381 3.524 1.00 3.12 C ATOM 424 CG GLU A 27 3.024 -4.702 4.174 1.00 30.21 C ATOM 425 CD GLU A 27 4.183 -4.553 5.178 1.00 51.22 C ATOM 426 OE1 GLU A 27 5.335 -4.362 4.741 1.00 70.54 O ATOM 427 OE2 GLU A 27 3.954 -4.650 6.401 1.00 21.23 O ATOM 0 H GLU A 27 0.648 -3.788 5.048 1.00 21.32 H new ATOM 0 HA GLU A 27 2.857 -1.974 5.158 1.00 10.23 H new ATOM 0 HB2 GLU A 27 1.778 -3.602 2.802 1.00 3.12 H new ATOM 0 HB3 GLU A 27 3.399 -2.957 2.966 1.00 3.12 H new ATOM 0 HG2 GLU A 27 2.174 -5.156 4.685 1.00 30.21 H new ATOM 0 HG3 GLU A 27 3.329 -5.392 3.387 1.00 30.21 H new ATOM 434 N ALA A 28 0.239 -1.215 3.282 1.00 43.31 N ATOM 435 CA ALA A 28 -0.387 -0.236 2.374 1.00 2.45 C ATOM 436 C ALA A 28 -0.746 1.062 3.098 1.00 10.24 C ATOM 437 O ALA A 28 -0.536 2.150 2.557 1.00 73.01 O ATOM 438 CB ALA A 28 -1.635 -0.848 1.708 1.00 4.40 C ATOM 0 H ALA A 28 -0.373 -1.994 3.524 1.00 43.31 H new ATOM 0 HA ALA A 28 0.341 0.013 1.602 1.00 2.45 H new ATOM 0 HB1 ALA A 28 -2.088 -0.115 1.040 1.00 4.40 H new ATOM 0 HB2 ALA A 28 -1.347 -1.730 1.136 1.00 4.40 H new ATOM 0 HB3 ALA A 28 -2.355 -1.132 2.476 1.00 4.40 H new ATOM 444 N ARG A 29 -1.275 0.931 4.331 1.00 34.25 N ATOM 445 CA ARG A 29 -1.656 2.093 5.156 1.00 10.15 C ATOM 446 C ARG A 29 -0.408 2.890 5.569 1.00 1.40 C ATOM 447 O ARG A 29 -0.441 4.125 5.632 1.00 73.55 O ATOM 448 CB ARG A 29 -2.475 1.648 6.401 1.00 13.43 C ATOM 449 CG ARG A 29 -1.681 0.880 7.489 1.00 41.44 C ATOM 450 CD ARG A 29 -2.579 0.305 8.601 1.00 30.11 C ATOM 451 NE ARG A 29 -1.806 -0.492 9.574 1.00 34.32 N ATOM 452 CZ ARG A 29 -2.328 -1.198 10.592 1.00 35.13 C ATOM 453 NH1 ARG A 29 -3.643 -1.241 10.798 1.00 54.01 N ATOM 454 NH2 ARG A 29 -1.518 -1.839 11.421 1.00 13.22 N ATOM 0 H ARG A 29 -1.448 0.030 4.777 1.00 34.25 H new ATOM 0 HA ARG A 29 -2.293 2.744 4.558 1.00 10.15 H new ATOM 0 HB2 ARG A 29 -2.917 2.533 6.857 1.00 13.43 H new ATOM 0 HB3 ARG A 29 -3.298 1.017 6.065 1.00 13.43 H new ATOM 0 HG2 ARG A 29 -1.128 0.066 7.020 1.00 41.44 H new ATOM 0 HG3 ARG A 29 -0.946 1.550 7.934 1.00 41.44 H new ATOM 0 HD2 ARG A 29 -3.083 1.121 9.119 1.00 30.11 H new ATOM 0 HD3 ARG A 29 -3.355 -0.318 8.156 1.00 30.11 H new ATOM 0 HE ARG A 29 -0.792 -0.508 9.465 1.00 34.32 H new ATOM 0 HH11 ARG A 29 -4.273 -0.733 10.178 1.00 54.01 H new ATOM 0 HH12 ARG A 29 -4.020 -1.782 11.576 1.00 54.01 H new ATOM 0 HH21 ARG A 29 -0.508 -1.794 11.284 1.00 13.22 H new ATOM 0 HH22 ARG A 29 -1.904 -2.377 12.197 1.00 13.22 H new ATOM 468 N ARG A 30 0.701 2.155 5.801 1.00 35.51 N ATOM 469 CA ARG A 30 2.008 2.751 6.105 1.00 73.44 C ATOM 470 C ARG A 30 2.576 3.454 4.857 1.00 0.40 C ATOM 471 O ARG A 30 3.005 4.596 4.952 1.00 64.32 O ATOM 472 CB ARG A 30 3.010 1.683 6.625 1.00 43.41 C ATOM 473 CG ARG A 30 2.704 1.067 8.010 1.00 3.11 C ATOM 474 CD ARG A 30 2.767 2.067 9.183 1.00 2.22 C ATOM 475 NE ARG A 30 1.505 2.797 9.393 1.00 20.03 N ATOM 476 CZ ARG A 30 1.385 4.124 9.545 1.00 3.21 C ATOM 477 NH1 ARG A 30 2.448 4.929 9.501 1.00 44.13 N ATOM 478 NH2 ARG A 30 0.195 4.640 9.797 1.00 42.43 N ATOM 0 H ARG A 30 0.709 1.135 5.782 1.00 35.51 H new ATOM 0 HA ARG A 30 1.865 3.488 6.895 1.00 73.44 H new ATOM 0 HB2 ARG A 30 3.057 0.875 5.895 1.00 43.41 H new ATOM 0 HB3 ARG A 30 4.001 2.135 6.664 1.00 43.41 H new ATOM 0 HG2 ARG A 30 1.710 0.620 7.983 1.00 3.11 H new ATOM 0 HG3 ARG A 30 3.412 0.260 8.199 1.00 3.11 H new ATOM 0 HD2 ARG A 30 3.025 1.530 10.096 1.00 2.22 H new ATOM 0 HD3 ARG A 30 3.567 2.784 8.998 1.00 2.22 H new ATOM 0 HE ARG A 30 0.648 2.245 9.426 1.00 20.03 H new ATOM 0 HH11 ARG A 30 3.378 4.538 9.349 1.00 44.13 H new ATOM 0 HH12 ARG A 30 2.331 5.935 9.619 1.00 44.13 H new ATOM 0 HH21 ARG A 30 -0.619 4.031 9.874 1.00 42.43 H new ATOM 0 HH22 ARG A 30 0.091 5.648 9.915 1.00 42.43 H new ATOM 492 N THR A 31 2.511 2.764 3.687 1.00 22.01 N ATOM 493 CA THR A 31 3.023 3.285 2.387 1.00 4.42 C ATOM 494 C THR A 31 2.397 4.651 2.045 1.00 5.34 C ATOM 495 O THR A 31 3.103 5.596 1.673 1.00 32.13 O ATOM 496 CB THR A 31 2.770 2.251 1.220 1.00 52.04 C ATOM 497 OG1 THR A 31 3.464 1.028 1.500 1.00 50.22 O ATOM 498 CG2 THR A 31 3.228 2.766 -0.160 1.00 41.41 C ATOM 0 H THR A 31 2.103 1.832 3.617 1.00 22.01 H new ATOM 0 HA THR A 31 4.099 3.424 2.492 1.00 4.42 H new ATOM 0 HB THR A 31 1.692 2.096 1.175 1.00 52.04 H new ATOM 0 HG1 THR A 31 2.967 0.516 2.172 1.00 50.22 H new ATOM 0 HG21 THR A 31 3.026 2.008 -0.917 1.00 41.41 H new ATOM 0 HG22 THR A 31 2.685 3.678 -0.406 1.00 41.41 H new ATOM 0 HG23 THR A 31 4.297 2.976 -0.133 1.00 41.41 H new ATOM 506 N LYS A 32 1.074 4.734 2.248 1.00 11.21 N ATOM 507 CA LYS A 32 0.286 5.961 2.068 1.00 4.22 C ATOM 508 C LYS A 32 0.809 7.103 2.971 1.00 14.41 C ATOM 509 O LYS A 32 1.042 8.218 2.489 1.00 51.34 O ATOM 510 CB LYS A 32 -1.209 5.661 2.363 1.00 13.44 C ATOM 511 CG LYS A 32 -1.928 4.785 1.299 1.00 11.01 C ATOM 512 CD LYS A 32 -2.096 5.496 -0.064 1.00 32.35 C ATOM 513 CE LYS A 32 -2.854 6.838 0.038 1.00 2.22 C ATOM 514 NZ LYS A 32 -4.202 6.711 0.643 1.00 10.31 N ATOM 0 H LYS A 32 0.513 3.937 2.547 1.00 11.21 H new ATOM 0 HA LYS A 32 0.388 6.295 1.035 1.00 4.22 H new ATOM 0 HB2 LYS A 32 -1.280 5.162 3.330 1.00 13.44 H new ATOM 0 HB3 LYS A 32 -1.743 6.607 2.453 1.00 13.44 H new ATOM 0 HG2 LYS A 32 -1.363 3.864 1.154 1.00 11.01 H new ATOM 0 HG3 LYS A 32 -2.910 4.500 1.676 1.00 11.01 H new ATOM 0 HD2 LYS A 32 -1.112 5.674 -0.497 1.00 32.35 H new ATOM 0 HD3 LYS A 32 -2.630 4.836 -0.747 1.00 32.35 H new ATOM 0 HE2 LYS A 32 -2.263 7.536 0.631 1.00 2.22 H new ATOM 0 HE3 LYS A 32 -2.951 7.268 -0.959 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 -4.655 7.646 0.681 1.00 10.31 H new ATOM 0 HZ2 LYS A 32 -4.782 6.069 0.066 1.00 10.31 H new ATOM 0 HZ3 LYS A 32 -4.116 6.328 1.606 1.00 10.31 H new ATOM 528 N GLU A 33 1.028 6.791 4.266 1.00 63.33 N ATOM 529 CA GLU A 33 1.547 7.759 5.258 1.00 13.30 C ATOM 530 C GLU A 33 2.944 8.283 4.880 1.00 50.41 C ATOM 531 O GLU A 33 3.171 9.493 4.905 1.00 4.15 O ATOM 532 CB GLU A 33 1.589 7.123 6.670 1.00 53.22 C ATOM 533 CG GLU A 33 0.211 6.788 7.275 1.00 63.31 C ATOM 534 CD GLU A 33 -0.671 8.015 7.572 1.00 32.11 C ATOM 535 OE1 GLU A 33 -0.491 8.642 8.642 1.00 60.41 O ATOM 536 OE2 GLU A 33 -1.566 8.337 6.757 1.00 35.44 O ATOM 0 H GLU A 33 0.851 5.864 4.653 1.00 63.33 H new ATOM 0 HA GLU A 33 0.863 8.607 5.263 1.00 13.30 H new ATOM 0 HB2 GLU A 33 2.180 6.209 6.623 1.00 53.22 H new ATOM 0 HB3 GLU A 33 2.109 7.804 7.344 1.00 53.22 H new ATOM 0 HG2 GLU A 33 -0.323 6.130 6.589 1.00 63.31 H new ATOM 0 HG3 GLU A 33 0.360 6.231 8.200 1.00 63.31 H new ATOM 543 N GLU A 34 3.851 7.368 4.492 1.00 21.55 N ATOM 544 CA GLU A 34 5.257 7.708 4.190 1.00 63.33 C ATOM 545 C GLU A 34 5.362 8.657 2.984 1.00 22.12 C ATOM 546 O GLU A 34 6.318 9.424 2.875 1.00 5.31 O ATOM 547 CB GLU A 34 6.100 6.437 3.918 1.00 3.32 C ATOM 548 CG GLU A 34 6.027 5.329 4.990 1.00 32.32 C ATOM 549 CD GLU A 34 6.169 5.835 6.439 1.00 21.10 C ATOM 550 OE1 GLU A 34 7.313 6.072 6.889 1.00 42.41 O ATOM 551 OE2 GLU A 34 5.137 5.989 7.137 1.00 74.23 O ATOM 0 H GLU A 34 3.634 6.378 4.379 1.00 21.55 H new ATOM 0 HA GLU A 34 5.652 8.214 5.071 1.00 63.33 H new ATOM 0 HB2 GLU A 34 5.783 6.013 2.965 1.00 3.32 H new ATOM 0 HB3 GLU A 34 7.142 6.735 3.804 1.00 3.32 H new ATOM 0 HG2 GLU A 34 5.075 4.807 4.892 1.00 32.32 H new ATOM 0 HG3 GLU A 34 6.812 4.599 4.794 1.00 32.32 H new ATOM 558 N GLU A 35 4.391 8.559 2.071 1.00 10.12 N ATOM 559 CA GLU A 35 4.290 9.435 0.896 1.00 44.54 C ATOM 560 C GLU A 35 3.653 10.784 1.246 1.00 71.41 C ATOM 561 O GLU A 35 3.918 11.795 0.586 1.00 12.45 O ATOM 562 CB GLU A 35 3.479 8.726 -0.196 1.00 34.40 C ATOM 563 CG GLU A 35 4.106 7.414 -0.690 1.00 53.34 C ATOM 564 CD GLU A 35 5.554 7.563 -1.211 1.00 53.32 C ATOM 565 OE1 GLU A 35 5.743 8.028 -2.357 1.00 54.24 O ATOM 566 OE2 GLU A 35 6.513 7.228 -0.476 1.00 12.32 O ATOM 0 H GLU A 35 3.646 7.864 2.126 1.00 10.12 H new ATOM 0 HA GLU A 35 5.297 9.640 0.532 1.00 44.54 H new ATOM 0 HB2 GLU A 35 2.480 8.517 0.186 1.00 34.40 H new ATOM 0 HB3 GLU A 35 3.362 9.402 -1.043 1.00 34.40 H new ATOM 0 HG2 GLU A 35 4.097 6.690 0.125 1.00 53.34 H new ATOM 0 HG3 GLU A 35 3.485 7.004 -1.487 1.00 53.34 H new ATOM 573 N CYS A 36 2.796 10.784 2.273 1.00 1.30 N ATOM 574 CA CYS A 36 2.132 11.999 2.770 1.00 44.25 C ATOM 575 C CYS A 36 3.004 12.743 3.803 1.00 11.02 C ATOM 576 O CYS A 36 2.595 13.784 4.329 1.00 63.14 O ATOM 577 CB CYS A 36 0.744 11.639 3.338 1.00 71.12 C ATOM 578 SG CYS A 36 -0.368 10.808 2.138 1.00 14.42 S ATOM 0 H CYS A 36 2.541 9.940 2.786 1.00 1.30 H new ATOM 0 HA CYS A 36 1.993 12.687 1.936 1.00 44.25 H new ATOM 0 HB2 CYS A 36 0.875 10.990 4.204 1.00 71.12 H new ATOM 0 HB3 CYS A 36 0.262 12.550 3.693 1.00 71.12 H new