USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 257 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.248 K(o=0.25,f=-3.8!) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -5.78! C(o=-5.8!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 10 N CYS A 2 -8.250 6.799 1.868 1.00 0.00 N ATOM 11 CA CYS A 2 -8.921 5.571 2.280 1.00 0.00 C ATOM 12 C CYS A 2 -8.097 4.821 3.323 1.00 0.00 C ATOM 13 O CYS A 2 -8.625 4.392 4.349 1.00 0.00 O ATOM 14 CB CYS A 2 -9.193 4.673 1.067 1.00 0.00 C ATOM 15 SG CYS A 2 -7.697 4.033 0.243 1.00 0.00 S ATOM 0 HA CYS A 2 -9.875 5.844 2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -9.805 3.829 1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.780 5.235 0.340 1.00 0.00 H new ATOM 20 N LEU A 3 -6.800 4.668 3.060 1.00 0.00 N ATOM 21 CA LEU A 3 -5.910 3.970 3.982 1.00 0.00 C ATOM 22 C LEU A 3 -4.505 4.527 3.904 1.00 0.00 C ATOM 23 O LEU A 3 -4.067 5.002 2.856 1.00 0.00 O ATOM 24 CB LEU A 3 -5.897 2.469 3.687 1.00 0.00 C ATOM 25 CG LEU A 3 -7.206 1.735 3.984 1.00 0.00 C ATOM 26 CD1 LEU A 3 -7.336 0.504 3.102 1.00 0.00 C ATOM 27 CD2 LEU A 3 -7.278 1.350 5.454 1.00 0.00 C ATOM 0 H LEU A 3 -6.344 5.018 2.217 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.287 4.126 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.648 2.324 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.100 2.007 4.270 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.037 2.405 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.273 -0.007 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.328 0.805 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.501 -0.170 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.215 0.829 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.441 0.696 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.229 2.249 6.068 1.00 0.00 H new ATOM 39 N GLU A 4 -3.807 4.478 5.027 1.00 0.00 N ATOM 40 CA GLU A 4 -2.455 4.991 5.087 1.00 0.00 C ATOM 41 C GLU A 4 -1.447 3.944 4.625 1.00 0.00 C ATOM 42 O GLU A 4 -1.757 2.755 4.554 1.00 0.00 O ATOM 43 CB GLU A 4 -2.117 5.459 6.503 1.00 0.00 C ATOM 44 CG GLU A 4 -1.084 6.572 6.544 1.00 0.00 C ATOM 45 CD GLU A 4 -0.905 7.152 7.934 1.00 0.00 C ATOM 46 OE1 GLU A 4 -0.789 6.363 8.895 1.00 0.00 O ATOM 47 OE2 GLU A 4 -0.880 8.394 8.060 1.00 0.00 O ATOM 0 H GLU A 4 -4.155 4.090 5.904 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.394 5.844 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.029 5.803 6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.748 4.610 7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.128 6.188 6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.383 7.365 5.859 1.00 0.00 H new ATOM 54 N PHE A 5 -0.236 4.396 4.313 1.00 0.00 N ATOM 55 CA PHE A 5 0.824 3.504 3.857 1.00 0.00 C ATOM 56 C PHE A 5 1.044 2.363 4.850 1.00 0.00 C ATOM 57 O PHE A 5 0.433 2.329 5.917 1.00 0.00 O ATOM 58 CB PHE A 5 2.122 4.296 3.650 1.00 0.00 C ATOM 59 CG PHE A 5 3.028 4.318 4.851 1.00 0.00 C ATOM 60 CD1 PHE A 5 2.760 5.149 5.927 1.00 0.00 C ATOM 61 CD2 PHE A 5 4.147 3.506 4.898 1.00 0.00 C ATOM 62 CE1 PHE A 5 3.593 5.168 7.029 1.00 0.00 C ATOM 63 CE2 PHE A 5 4.985 3.520 5.997 1.00 0.00 C ATOM 64 CZ PHE A 5 4.708 4.352 7.064 1.00 0.00 C ATOM 0 H PHE A 5 0.036 5.378 4.368 1.00 0.00 H new ATOM 0 HA PHE A 5 0.522 3.066 2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.665 3.869 2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.870 5.321 3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.890 5.789 5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.368 2.854 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.373 5.819 7.862 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.855 2.881 6.021 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.361 4.365 7.924 1.00 0.00 H new ATOM 74 N TRP A 6 1.924 1.430 4.492 1.00 0.00 N ATOM 75 CA TRP A 6 2.231 0.288 5.351 1.00 0.00 C ATOM 76 C TRP A 6 1.070 -0.704 5.396 1.00 0.00 C ATOM 77 O TRP A 6 1.235 -1.875 5.055 1.00 0.00 O ATOM 78 CB TRP A 6 2.570 0.759 6.768 1.00 0.00 C ATOM 79 CG TRP A 6 3.282 -0.277 7.583 1.00 0.00 C ATOM 80 CD1 TRP A 6 4.073 -1.287 7.116 1.00 0.00 C ATOM 81 CD2 TRP A 6 3.268 -0.405 9.009 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.552 -2.035 8.164 1.00 0.00 N ATOM 83 CE2 TRP A 6 4.072 -1.513 9.336 1.00 0.00 C ATOM 84 CE3 TRP A 6 2.655 0.310 10.041 1.00 0.00 C ATOM 85 CZ2 TRP A 6 4.277 -1.921 10.652 1.00 0.00 C ATOM 86 CZ3 TRP A 6 2.858 -0.097 11.347 1.00 0.00 C ATOM 87 CH2 TRP A 6 3.665 -1.203 11.642 1.00 0.00 C ATOM 0 H TRP A 6 2.438 1.443 3.611 1.00 0.00 H new ATOM 0 HA TRP A 6 3.097 -0.220 4.926 1.00 0.00 H new ATOM 0 HB2 TRP A 6 3.191 1.653 6.707 1.00 0.00 H new ATOM 0 HB3 TRP A 6 1.650 1.044 7.279 1.00 0.00 H new ATOM 0 HD1 TRP A 6 4.291 -1.471 6.074 1.00 0.00 H new ATOM 0 HE1 TRP A 6 5.165 -2.846 8.083 1.00 0.00 H new ATOM 0 HE3 TRP A 6 2.033 1.166 9.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 4.897 -2.774 10.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 2.387 0.447 12.152 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.807 -1.495 12.672 1.00 0.00 H new ATOM 98 N TRP A 7 -0.099 -0.231 5.827 1.00 0.00 N ATOM 99 CA TRP A 7 -1.287 -1.078 5.924 1.00 0.00 C ATOM 100 C TRP A 7 -1.440 -1.972 4.694 1.00 0.00 C ATOM 101 O TRP A 7 -0.947 -1.648 3.614 1.00 0.00 O ATOM 102 CB TRP A 7 -2.538 -0.214 6.101 1.00 0.00 C ATOM 103 CG TRP A 7 -2.651 0.402 7.464 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.853 0.156 8.546 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.620 1.367 7.891 1.00 0.00 C ATOM 106 NE1 TRP A 7 -2.268 0.909 9.618 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.349 1.661 9.241 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.688 2.012 7.263 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -4.109 2.571 9.972 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.442 2.915 7.989 1.00 0.00 C ATOM 111 CH2 TRP A 7 -5.150 3.188 9.332 1.00 0.00 C ATOM 0 H TRP A 7 -0.249 0.736 6.115 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.166 -1.722 6.795 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.532 0.578 5.352 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.421 -0.824 5.912 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.019 -0.530 8.557 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.840 0.908 10.544 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.921 1.809 6.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.885 2.782 11.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.270 3.419 7.513 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.758 3.899 9.872 1.00 0.00 H new ATOM 122 N LYS A 8 -2.122 -3.099 4.871 1.00 0.00 N ATOM 123 CA LYS A 8 -2.339 -4.048 3.783 1.00 0.00 C ATOM 124 C LYS A 8 -2.926 -3.359 2.554 1.00 0.00 C ATOM 125 O LYS A 8 -3.362 -2.209 2.623 1.00 0.00 O ATOM 126 CB LYS A 8 -3.268 -5.174 4.239 1.00 0.00 C ATOM 127 CG LYS A 8 -4.546 -4.681 4.898 1.00 0.00 C ATOM 128 CD LYS A 8 -5.476 -5.832 5.240 1.00 0.00 C ATOM 129 CE LYS A 8 -6.178 -5.606 6.570 1.00 0.00 C ATOM 130 NZ LYS A 8 -6.628 -6.886 7.186 1.00 0.00 N ATOM 0 H LYS A 8 -2.535 -3.379 5.761 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.371 -4.467 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.528 -5.790 3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.732 -5.814 4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.299 -4.129 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.056 -3.986 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.219 -5.948 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.907 -6.761 5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.503 -5.092 7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.038 -4.953 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.102 -6.688 8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.292 -7.365 6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.805 -7.499 7.353 1.00 0.00 H new ATOM 144 N CYS A 9 -2.933 -4.070 1.431 1.00 0.00 N ATOM 145 CA CYS A 9 -3.468 -3.531 0.186 1.00 0.00 C ATOM 146 C CYS A 9 -3.579 -4.620 -0.876 1.00 0.00 C ATOM 147 O CYS A 9 -2.872 -5.627 -0.823 1.00 0.00 O ATOM 148 CB CYS A 9 -2.582 -2.392 -0.324 1.00 0.00 C ATOM 149 SG CYS A 9 -3.155 -1.649 -1.888 1.00 0.00 S ATOM 0 H CYS A 9 -2.574 -5.022 1.358 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.466 -3.143 0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.532 -1.615 0.439 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.568 -2.768 -0.462 1.00 0.00 H new ATOM 154 N ASN A 10 -4.469 -4.411 -1.840 1.00 0.00 N ATOM 155 CA ASN A 10 -4.673 -5.372 -2.915 1.00 0.00 C ATOM 156 C ASN A 10 -4.870 -4.659 -4.251 1.00 0.00 C ATOM 157 O ASN A 10 -5.290 -3.502 -4.290 1.00 0.00 O ATOM 158 CB ASN A 10 -5.879 -6.264 -2.611 1.00 0.00 C ATOM 159 CG ASN A 10 -5.475 -7.673 -2.228 1.00 0.00 C ATOM 160 OD1 ASN A 10 -4.359 -8.109 -2.509 1.00 0.00 O ATOM 161 ND2 ASN A 10 -6.384 -8.395 -1.582 1.00 0.00 N ATOM 0 H ASN A 10 -5.061 -3.583 -1.898 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.782 -5.996 -2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.459 -5.822 -1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.530 -6.301 -3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.169 -9.351 -1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.297 -7.993 -1.369 1.00 0.00 H new ATOM 168 N PRO A 11 -4.568 -5.342 -5.369 1.00 0.00 N ATOM 169 CA PRO A 11 -4.713 -4.767 -6.710 1.00 0.00 C ATOM 170 C PRO A 11 -6.174 -4.556 -7.097 1.00 0.00 C ATOM 171 O PRO A 11 -6.490 -3.694 -7.917 1.00 0.00 O ATOM 172 CB PRO A 11 -4.066 -5.814 -7.620 1.00 0.00 C ATOM 173 CG PRO A 11 -4.175 -7.093 -6.865 1.00 0.00 C ATOM 174 CD PRO A 11 -4.060 -6.726 -5.412 1.00 0.00 C ATOM 0 HA PRO A 11 -4.255 -3.781 -6.780 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.580 -5.876 -8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.026 -5.566 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.125 -7.587 -7.069 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.386 -7.787 -7.156 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.650 -7.391 -4.782 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.029 -6.787 -5.062 1.00 0.00 H new ATOM 182 N ASN A 12 -7.060 -5.350 -6.504 1.00 0.00 N ATOM 183 CA ASN A 12 -8.487 -5.248 -6.791 1.00 0.00 C ATOM 184 C ASN A 12 -9.216 -4.495 -5.683 1.00 0.00 C ATOM 185 O ASN A 12 -10.217 -3.823 -5.930 1.00 0.00 O ATOM 186 CB ASN A 12 -9.094 -6.641 -6.960 1.00 0.00 C ATOM 187 CG ASN A 12 -8.487 -7.399 -8.123 1.00 0.00 C ATOM 188 OD1 ASN A 12 -7.876 -6.809 -9.014 1.00 0.00 O ATOM 189 ND2 ASN A 12 -8.651 -8.718 -8.121 1.00 0.00 N ATOM 0 H ASN A 12 -6.816 -6.070 -5.823 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.605 -4.691 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.948 -7.211 -6.043 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.170 -6.550 -7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.263 -9.281 -8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.164 -9.167 -7.363 1.00 0.00 H new ATOM 196 N ASP A 13 -8.707 -4.611 -4.460 1.00 0.00 N ATOM 197 CA ASP A 13 -9.313 -3.941 -3.314 1.00 0.00 C ATOM 198 C ASP A 13 -8.769 -2.524 -3.161 1.00 0.00 C ATOM 199 O ASP A 13 -9.504 -1.602 -2.810 1.00 0.00 O ATOM 200 CB ASP A 13 -9.055 -4.739 -2.034 1.00 0.00 C ATOM 201 CG ASP A 13 -9.348 -6.218 -2.205 1.00 0.00 C ATOM 202 OD1 ASP A 13 -10.130 -6.567 -3.115 1.00 0.00 O ATOM 203 OD2 ASP A 13 -8.795 -7.025 -1.429 1.00 0.00 O ATOM 0 H ASP A 13 -7.878 -5.162 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.388 -3.882 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.016 -4.610 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.673 -4.340 -1.230 1.00 0.00 H new ATOM 208 N ASP A 14 -7.477 -2.359 -3.425 1.00 0.00 N ATOM 209 CA ASP A 14 -6.834 -1.054 -3.315 1.00 0.00 C ATOM 210 C ASP A 14 -6.875 -0.548 -1.876 1.00 0.00 C ATOM 211 O ASP A 14 -7.842 -0.783 -1.153 1.00 0.00 O ATOM 212 CB ASP A 14 -7.514 -0.045 -4.243 1.00 0.00 C ATOM 213 CG ASP A 14 -6.541 0.971 -4.807 1.00 0.00 C ATOM 214 OD1 ASP A 14 -5.685 1.461 -4.040 1.00 0.00 O ATOM 215 OD2 ASP A 14 -6.633 1.277 -6.014 1.00 0.00 O ATOM 0 H ASP A 14 -6.854 -3.112 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.792 -1.164 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.995 -0.577 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.301 0.475 -3.696 1.00 0.00 H new ATOM 220 N LYS A 15 -5.819 0.148 -1.469 1.00 0.00 N ATOM 221 CA LYS A 15 -5.735 0.687 -0.116 1.00 0.00 C ATOM 222 C LYS A 15 -4.768 1.868 -0.056 1.00 0.00 C ATOM 223 O LYS A 15 -5.055 2.885 0.579 1.00 0.00 O ATOM 224 CB LYS A 15 -5.297 -0.404 0.863 1.00 0.00 C ATOM 225 CG LYS A 15 -6.295 -1.547 0.981 1.00 0.00 C ATOM 226 CD LYS A 15 -6.080 -2.351 2.254 1.00 0.00 C ATOM 227 CE LYS A 15 -7.400 -2.720 2.909 1.00 0.00 C ATOM 228 NZ LYS A 15 -8.035 -3.897 2.254 1.00 0.00 N ATOM 0 H LYS A 15 -5.010 0.352 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.725 1.043 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.335 -0.804 0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.147 0.040 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.309 -1.148 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.201 -2.203 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.521 -3.258 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.475 -1.773 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.233 -2.938 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.079 -1.869 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.933 -4.117 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.218 -3.681 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.398 -4.717 2.321 1.00 0.00 H new ATOM 242 N CYS A 16 -3.627 1.732 -0.724 1.00 0.00 N ATOM 243 CA CYS A 16 -2.627 2.795 -0.748 1.00 0.00 C ATOM 244 C CYS A 16 -3.202 4.046 -1.401 1.00 0.00 C ATOM 245 O CYS A 16 -3.044 4.261 -2.604 1.00 0.00 O ATOM 246 CB CYS A 16 -1.375 2.341 -1.507 1.00 0.00 C ATOM 247 SG CYS A 16 -0.830 0.647 -1.112 1.00 0.00 S ATOM 0 H CYS A 16 -3.372 0.899 -1.255 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.349 3.026 0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.570 2.407 -2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.561 3.032 -1.288 1.00 0.00 H new ATOM 252 N CYS A 17 -3.880 4.865 -0.604 1.00 0.00 N ATOM 253 CA CYS A 17 -4.491 6.090 -1.106 1.00 0.00 C ATOM 254 C CYS A 17 -3.573 7.294 -0.910 1.00 0.00 C ATOM 255 O CYS A 17 -4.039 8.394 -0.618 1.00 0.00 O ATOM 256 CB CYS A 17 -5.825 6.338 -0.400 1.00 0.00 C ATOM 257 SG CYS A 17 -7.240 5.454 -1.135 1.00 0.00 S ATOM 0 H CYS A 17 -4.020 4.702 0.393 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.661 5.963 -2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.730 6.042 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.035 7.408 -0.411 1.00 0.00 H new ATOM 262 N ARG A 18 -2.270 7.086 -1.076 1.00 0.00 N ATOM 263 CA ARG A 18 -1.306 8.166 -0.922 1.00 0.00 C ATOM 264 C ARG A 18 -0.459 8.312 -2.182 1.00 0.00 C ATOM 265 O ARG A 18 -0.115 7.320 -2.824 1.00 0.00 O ATOM 266 CB ARG A 18 -0.406 7.912 0.291 1.00 0.00 C ATOM 267 CG ARG A 18 -0.655 8.870 1.444 1.00 0.00 C ATOM 268 CD ARG A 18 -1.673 8.312 2.426 1.00 0.00 C ATOM 269 NE ARG A 18 -2.987 8.926 2.260 1.00 0.00 N ATOM 270 CZ ARG A 18 -3.944 8.890 3.186 1.00 0.00 C ATOM 271 NH1 ARG A 18 -3.737 8.271 4.341 1.00 0.00 N ATOM 272 NH2 ARG A 18 -5.111 9.477 2.955 1.00 0.00 N ATOM 0 H ARG A 18 -1.861 6.183 -1.316 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.855 9.094 -0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.559 6.890 0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.636 7.991 -0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.283 9.066 1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.009 9.824 1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.757 7.234 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.322 8.477 3.445 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.184 9.411 1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.841 7.819 4.524 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.474 8.247 5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.275 9.955 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.844 9.450 3.663 1.00 0.00 H new ATOM 286 N PRO A 19 -0.107 9.554 -2.554 1.00 0.00 N ATOM 287 CA PRO A 19 0.705 9.818 -3.742 1.00 0.00 C ATOM 288 C PRO A 19 2.161 9.463 -3.549 1.00 0.00 C ATOM 289 O PRO A 19 2.981 9.667 -4.443 1.00 0.00 O ATOM 290 CB PRO A 19 0.538 11.321 -3.956 1.00 0.00 C ATOM 291 CG PRO A 19 0.283 11.867 -2.595 1.00 0.00 C ATOM 292 CD PRO A 19 -0.471 10.798 -1.847 1.00 0.00 C ATOM 0 HA PRO A 19 0.387 9.214 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.432 11.760 -4.398 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.290 11.536 -4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.219 12.108 -2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.297 12.788 -2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.179 10.762 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.546 10.974 -1.873 1.00 0.00 H new ATOM 300 N LYS A 20 2.487 8.943 -2.380 1.00 0.00 N ATOM 301 CA LYS A 20 3.851 8.581 -2.093 1.00 0.00 C ATOM 302 C LYS A 20 4.031 7.064 -1.986 1.00 0.00 C ATOM 303 O LYS A 20 5.157 6.567 -2.005 1.00 0.00 O ATOM 304 CB LYS A 20 4.293 9.318 -0.839 1.00 0.00 C ATOM 305 CG LYS A 20 4.757 8.436 0.315 1.00 0.00 C ATOM 306 CD LYS A 20 4.628 9.158 1.645 1.00 0.00 C ATOM 307 CE LYS A 20 3.197 9.608 1.887 1.00 0.00 C ATOM 308 NZ LYS A 20 2.920 9.836 3.333 1.00 0.00 N ATOM 0 H LYS A 20 1.827 8.765 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 20 4.492 8.884 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.105 9.995 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.465 9.935 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.166 7.520 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.795 8.142 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.947 8.499 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.292 10.023 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.007 10.527 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.510 8.855 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.933 10.142 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.076 8.953 3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.557 10.573 3.697 1.00 0.00 H new ATOM 322 N LEU A 21 2.922 6.326 -1.882 1.00 0.00 N ATOM 323 CA LEU A 21 2.994 4.868 -1.784 1.00 0.00 C ATOM 324 C LEU A 21 2.424 4.206 -3.033 1.00 0.00 C ATOM 325 O LEU A 21 1.782 4.855 -3.859 1.00 0.00 O ATOM 326 CB LEU A 21 2.258 4.349 -0.542 1.00 0.00 C ATOM 327 CG LEU A 21 1.250 5.307 0.085 1.00 0.00 C ATOM 328 CD1 LEU A 21 0.115 4.534 0.739 1.00 0.00 C ATOM 329 CD2 LEU A 21 1.940 6.206 1.097 1.00 0.00 C ATOM 0 H LEU A 21 1.977 6.709 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 21 4.048 4.607 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.738 3.429 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.999 4.088 0.213 1.00 0.00 H new ATOM 0 HG LEU A 21 0.827 5.932 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.594 5.234 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.393 3.928 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.517 3.885 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.210 6.885 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.387 5.595 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.719 6.784 0.599 1.00 0.00 H new ATOM 341 N LYS A 22 2.662 2.903 -3.160 1.00 0.00 N ATOM 342 CA LYS A 22 2.173 2.139 -4.301 1.00 0.00 C ATOM 343 C LYS A 22 1.860 0.704 -3.892 1.00 0.00 C ATOM 344 O LYS A 22 2.716 0.000 -3.353 1.00 0.00 O ATOM 345 CB LYS A 22 3.207 2.148 -5.429 1.00 0.00 C ATOM 346 CG LYS A 22 2.594 2.253 -6.816 1.00 0.00 C ATOM 347 CD LYS A 22 1.895 0.964 -7.216 1.00 0.00 C ATOM 348 CE LYS A 22 2.878 -0.050 -7.777 1.00 0.00 C ATOM 349 NZ LYS A 22 3.176 0.201 -9.215 1.00 0.00 N ATOM 0 H LYS A 22 3.192 2.354 -2.484 1.00 0.00 H new ATOM 0 HA LYS A 22 1.256 2.607 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.889 2.984 -5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.802 1.237 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.881 3.077 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.373 2.486 -7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.387 0.540 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.129 1.180 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.804 -0.014 -7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.470 -1.054 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.850 -0.512 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.297 0.142 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.589 1.149 -9.323 1.00 0.00 H new ATOM 363 N CYS A 23 0.628 0.275 -4.145 1.00 0.00 N ATOM 364 CA CYS A 23 0.201 -1.076 -3.797 1.00 0.00 C ATOM 365 C CYS A 23 1.101 -2.123 -4.445 1.00 0.00 C ATOM 366 O CYS A 23 1.219 -2.186 -5.668 1.00 0.00 O ATOM 367 CB CYS A 23 -1.251 -1.301 -4.224 1.00 0.00 C ATOM 368 SG CYS A 23 -2.095 -2.634 -3.311 1.00 0.00 S ATOM 0 H CYS A 23 -0.093 0.843 -4.590 1.00 0.00 H new ATOM 0 HA CYS A 23 0.277 -1.182 -2.715 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.807 -0.373 -4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.274 -1.533 -5.289 1.00 0.00 H new ATOM 373 N SER A 24 1.729 -2.949 -3.613 1.00 0.00 N ATOM 374 CA SER A 24 2.615 -3.999 -4.099 1.00 0.00 C ATOM 375 C SER A 24 2.269 -5.336 -3.450 1.00 0.00 C ATOM 376 O SER A 24 1.660 -5.379 -2.379 1.00 0.00 O ATOM 377 CB SER A 24 4.073 -3.638 -3.818 1.00 0.00 C ATOM 378 OG SER A 24 4.956 -4.467 -4.555 1.00 0.00 O ATOM 0 H SER A 24 1.640 -2.910 -2.598 1.00 0.00 H new ATOM 0 HA SER A 24 2.479 -4.091 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.249 -2.594 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.277 -3.741 -2.752 1.00 0.00 H new ATOM 0 HG SER A 24 5.882 -4.214 -4.359 1.00 0.00 H new ATOM 384 N LYS A 25 2.653 -6.427 -4.107 1.00 0.00 N ATOM 385 CA LYS A 25 2.370 -7.765 -3.596 1.00 0.00 C ATOM 386 C LYS A 25 3.591 -8.391 -2.923 1.00 0.00 C ATOM 387 O LYS A 25 3.581 -9.580 -2.600 1.00 0.00 O ATOM 388 CB LYS A 25 1.877 -8.674 -4.726 1.00 0.00 C ATOM 389 CG LYS A 25 2.638 -8.501 -6.032 1.00 0.00 C ATOM 390 CD LYS A 25 4.131 -8.702 -5.839 1.00 0.00 C ATOM 391 CE LYS A 25 4.819 -9.052 -7.149 1.00 0.00 C ATOM 392 NZ LYS A 25 5.911 -10.045 -6.956 1.00 0.00 N ATOM 0 H LYS A 25 3.160 -6.411 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 25 1.589 -7.664 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.957 -9.713 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.820 -8.476 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.266 -9.214 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.453 -7.504 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.571 -7.794 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.302 -9.497 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.085 -9.451 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.227 -8.146 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.354 -10.256 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.625 -9.654 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.518 -10.919 -6.552 1.00 0.00 H new ATOM 406 N LEU A 26 4.638 -7.600 -2.707 1.00 0.00 N ATOM 407 CA LEU A 26 5.846 -8.111 -2.065 1.00 0.00 C ATOM 408 C LEU A 26 5.531 -8.639 -0.665 1.00 0.00 C ATOM 409 O LEU A 26 6.235 -9.504 -0.145 1.00 0.00 O ATOM 410 CB LEU A 26 6.931 -7.027 -2.004 1.00 0.00 C ATOM 411 CG LEU A 26 6.790 -6.004 -0.873 1.00 0.00 C ATOM 412 CD1 LEU A 26 8.143 -5.400 -0.531 1.00 0.00 C ATOM 413 CD2 LEU A 26 5.803 -4.916 -1.261 1.00 0.00 C ATOM 0 H LEU A 26 4.676 -6.614 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 26 6.226 -8.938 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.901 -7.515 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.937 -6.492 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 26 6.408 -6.516 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.025 -4.675 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.824 -6.189 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.552 -4.902 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.715 -4.197 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.157 -4.407 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.828 -5.362 -1.458 1.00 0.00 H new ATOM 425 N PHE A 27 4.461 -8.119 -0.069 1.00 0.00 N ATOM 426 CA PHE A 27 4.042 -8.546 1.263 1.00 0.00 C ATOM 427 C PHE A 27 2.590 -8.174 1.547 1.00 0.00 C ATOM 428 O PHE A 27 2.173 -8.138 2.703 1.00 0.00 O ATOM 429 CB PHE A 27 4.960 -7.964 2.350 1.00 0.00 C ATOM 430 CG PHE A 27 4.900 -6.466 2.520 1.00 0.00 C ATOM 431 CD1 PHE A 27 4.613 -5.622 1.457 1.00 0.00 C ATOM 432 CD2 PHE A 27 5.157 -5.905 3.760 1.00 0.00 C ATOM 433 CE1 PHE A 27 4.588 -4.250 1.631 1.00 0.00 C ATOM 434 CE2 PHE A 27 5.128 -4.535 3.940 1.00 0.00 C ATOM 435 CZ PHE A 27 4.846 -3.706 2.873 1.00 0.00 C ATOM 0 H PHE A 27 3.869 -7.402 -0.487 1.00 0.00 H new ATOM 0 HA PHE A 27 4.122 -9.633 1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.707 -8.430 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.988 -8.245 2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.407 -6.041 0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.383 -6.547 4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.366 -3.604 0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.326 -4.114 4.914 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.827 -2.635 3.010 1.00 0.00 H new ATOM 445 N LYS A 28 1.815 -7.917 0.493 1.00 0.00 N ATOM 446 CA LYS A 28 0.404 -7.569 0.646 1.00 0.00 C ATOM 447 C LYS A 28 0.232 -6.285 1.443 1.00 0.00 C ATOM 448 O LYS A 28 -0.715 -6.149 2.215 1.00 0.00 O ATOM 449 CB LYS A 28 -0.339 -8.699 1.353 1.00 0.00 C ATOM 450 CG LYS A 28 -0.360 -9.995 0.563 1.00 0.00 C ATOM 451 CD LYS A 28 -1.776 -10.510 0.364 1.00 0.00 C ATOM 452 CE LYS A 28 -2.211 -11.403 1.515 1.00 0.00 C ATOM 453 NZ LYS A 28 -3.650 -11.214 1.852 1.00 0.00 N ATOM 0 H LYS A 28 2.140 -7.943 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.009 -7.417 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.127 -8.880 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.364 -8.384 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.109 -9.837 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.231 -10.748 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.462 -9.667 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.834 -11.066 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.034 -12.446 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.601 -11.187 2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.907 -11.841 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.815 -10.225 2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.234 -11.445 1.023 1.00 0.00 H new ATOM 467 N LEU A 29 1.151 -5.348 1.264 1.00 0.00 N ATOM 468 CA LEU A 29 1.089 -4.089 1.992 1.00 0.00 C ATOM 469 C LEU A 29 1.533 -2.920 1.114 1.00 0.00 C ATOM 470 O LEU A 29 2.000 -3.115 -0.008 1.00 0.00 O ATOM 471 CB LEU A 29 1.961 -4.180 3.243 1.00 0.00 C ATOM 472 CG LEU A 29 1.243 -4.620 4.521 1.00 0.00 C ATOM 473 CD1 LEU A 29 0.848 -6.086 4.444 1.00 0.00 C ATOM 474 CD2 LEU A 29 2.136 -4.375 5.727 1.00 0.00 C ATOM 0 H LEU A 29 1.943 -5.434 0.626 1.00 0.00 H new ATOM 0 HA LEU A 29 0.055 -3.907 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.775 -4.878 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.414 -3.204 3.420 1.00 0.00 H new ATOM 0 HG LEU A 29 0.332 -4.030 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.339 -6.375 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.180 -6.239 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.741 -6.697 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.619 -4.690 6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.058 -4.946 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.372 -3.313 5.795 1.00 0.00 H new ATOM 486 N CYS A 30 1.378 -1.704 1.634 1.00 0.00 N ATOM 487 CA CYS A 30 1.755 -0.501 0.900 1.00 0.00 C ATOM 488 C CYS A 30 3.238 -0.186 1.076 1.00 0.00 C ATOM 489 O CYS A 30 3.857 -0.588 2.060 1.00 0.00 O ATOM 490 CB CYS A 30 0.916 0.690 1.368 1.00 0.00 C ATOM 491 SG CYS A 30 -0.847 0.586 0.917 1.00 0.00 S ATOM 0 H CYS A 30 0.993 -1.527 2.562 1.00 0.00 H new ATOM 0 HA CYS A 30 1.566 -0.684 -0.158 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.998 0.774 2.452 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.334 1.603 0.945 1.00 0.00 H new ATOM 496 N ASN A 31 3.799 0.544 0.113 1.00 0.00 N ATOM 497 CA ASN A 31 5.208 0.922 0.157 1.00 0.00 C ATOM 498 C ASN A 31 5.420 2.288 -0.486 1.00 0.00 C ATOM 499 O ASN A 31 4.894 2.563 -1.563 1.00 0.00 O ATOM 500 CB ASN A 31 6.071 -0.121 -0.559 1.00 0.00 C ATOM 501 CG ASN A 31 5.598 -1.539 -0.315 1.00 0.00 C ATOM 502 OD1 ASN A 31 6.084 -2.221 0.587 1.00 0.00 O ATOM 503 ND2 ASN A 31 4.646 -1.991 -1.123 1.00 0.00 N ATOM 0 H ASN A 31 3.298 0.885 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 31 5.507 0.972 1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.063 0.081 -1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.104 -0.024 -0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.288 -2.939 -1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.273 -1.390 -1.857 1.00 0.00 H new ATOM 510 N PHE A 32 6.197 3.139 0.178 1.00 0.00 N ATOM 511 CA PHE A 32 6.477 4.474 -0.338 1.00 0.00 C ATOM 512 C PHE A 32 7.176 4.397 -1.691 1.00 0.00 C ATOM 513 O PHE A 32 6.568 4.652 -2.731 1.00 0.00 O ATOM 514 CB PHE A 32 7.341 5.259 0.651 1.00 0.00 C ATOM 515 CG PHE A 32 6.651 5.578 1.950 1.00 0.00 C ATOM 516 CD1 PHE A 32 5.292 5.854 1.985 1.00 0.00 C ATOM 517 CD2 PHE A 32 7.366 5.604 3.136 1.00 0.00 C ATOM 518 CE1 PHE A 32 4.663 6.149 3.180 1.00 0.00 C ATOM 519 CE2 PHE A 32 6.742 5.900 4.333 1.00 0.00 C ATOM 520 CZ PHE A 32 5.388 6.172 4.354 1.00 0.00 C ATOM 0 H PHE A 32 6.642 2.928 1.071 1.00 0.00 H new ATOM 0 HA PHE A 32 5.527 4.992 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.244 4.686 0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.657 6.190 0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.720 5.838 1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.425 5.390 3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.604 6.361 3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.312 5.919 5.250 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.897 6.402 5.288 1.00 0.00 H new