USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 262 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 1 GLU N :NH3+ 146:sc= -0.379 (180deg=-1.26) USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00451) USER MOD Single : A 6 MET CE :methyl -152:sc= -0.528 (180deg=-2.14!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= -0.043 (180deg=-0.043) USER MOD Single : A 11 ASN : amide:sc= -0.315 K(o=-0.31,f=-2.7!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0215 X(o=-0.022,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -110:sc= -0.045 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= -2.17! (180deg=-3.77!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -8.261 4.740 -3.952 1.00 0.00 N ATOM 2 CA GLU A 1 -8.373 5.608 -2.743 1.00 0.00 C ATOM 3 C GLU A 1 -7.204 5.350 -1.793 1.00 0.00 C ATOM 4 O GLU A 1 -6.239 4.696 -2.139 1.00 0.00 O ATOM 5 CB GLU A 1 -9.694 5.211 -2.081 1.00 0.00 C ATOM 6 CG GLU A 1 -9.711 3.701 -1.837 1.00 0.00 C ATOM 7 CD GLU A 1 -10.900 3.344 -0.942 1.00 0.00 C ATOM 8 OE1 GLU A 1 -11.572 4.257 -0.491 1.00 0.00 O ATOM 9 OE2 GLU A 1 -11.118 2.164 -0.723 1.00 0.00 O ATOM 0 H1 GLU A 1 -9.212 4.470 -4.275 1.00 0.00 H new ATOM 0 H2 GLU A 1 -7.773 5.260 -4.709 1.00 0.00 H new ATOM 0 H3 GLU A 1 -7.720 3.884 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 1 -8.348 6.667 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -9.814 5.744 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -10.532 5.496 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -9.783 3.169 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -8.780 3.387 -1.366 1.00 0.00 H new ATOM 18 N CYS A 2 -7.287 5.859 -0.596 1.00 0.00 N ATOM 19 CA CYS A 2 -6.184 5.649 0.387 1.00 0.00 C ATOM 20 C CYS A 2 -6.747 5.053 1.681 1.00 0.00 C ATOM 21 O CYS A 2 -7.531 5.673 2.372 1.00 0.00 O ATOM 22 CB CYS A 2 -5.605 7.047 0.630 1.00 0.00 C ATOM 23 SG CYS A 2 -4.618 7.071 2.155 1.00 0.00 S ATOM 0 H CYS A 2 -8.072 6.413 -0.254 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.423 4.956 0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.985 7.342 -0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.414 7.774 0.702 1.00 0.00 H new ATOM 28 N GLY A 3 -6.348 3.855 2.013 1.00 0.00 N ATOM 29 CA GLY A 3 -6.855 3.224 3.263 1.00 0.00 C ATOM 30 C GLY A 3 -5.709 3.092 4.265 1.00 0.00 C ATOM 31 O GLY A 3 -5.064 4.059 4.615 1.00 0.00 O ATOM 0 H GLY A 3 -5.694 3.288 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.657 3.827 3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.276 2.243 3.043 1.00 0.00 H new ATOM 35 N LYS A 4 -5.448 1.901 4.729 1.00 0.00 N ATOM 36 CA LYS A 4 -4.340 1.711 5.706 1.00 0.00 C ATOM 37 C LYS A 4 -3.518 0.476 5.338 1.00 0.00 C ATOM 38 O LYS A 4 -4.031 -0.487 4.803 1.00 0.00 O ATOM 39 CB LYS A 4 -5.030 1.514 7.054 1.00 0.00 C ATOM 40 CG LYS A 4 -4.348 2.389 8.107 1.00 0.00 C ATOM 41 CD LYS A 4 -3.286 1.569 8.844 1.00 0.00 C ATOM 42 CE LYS A 4 -2.025 2.417 9.031 1.00 0.00 C ATOM 43 NZ LYS A 4 -1.021 1.493 9.634 1.00 0.00 N ATOM 0 H LYS A 4 -5.953 1.052 4.474 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.653 2.557 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.085 1.775 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.982 0.466 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.888 3.256 7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.086 2.767 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.668 1.247 9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.050 0.667 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.673 2.815 8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.217 3.270 9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.319 2.044 10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.501 0.829 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.542 0.961 8.880 1.00 0.00 H new ATOM 57 N PHE A 5 -2.244 0.497 5.620 1.00 0.00 N ATOM 58 CA PHE A 5 -1.385 -0.672 5.290 1.00 0.00 C ATOM 59 C PHE A 5 -2.113 -1.977 5.616 1.00 0.00 C ATOM 60 O PHE A 5 -3.025 -2.009 6.418 1.00 0.00 O ATOM 61 CB PHE A 5 -0.149 -0.512 6.174 1.00 0.00 C ATOM 62 CG PHE A 5 0.773 -1.697 5.989 1.00 0.00 C ATOM 63 CD1 PHE A 5 0.582 -2.860 6.746 1.00 0.00 C ATOM 64 CD2 PHE A 5 1.822 -1.629 5.065 1.00 0.00 C ATOM 65 CE1 PHE A 5 1.442 -3.952 6.580 1.00 0.00 C ATOM 66 CE2 PHE A 5 2.680 -2.721 4.899 1.00 0.00 C ATOM 67 CZ PHE A 5 2.491 -3.882 5.655 1.00 0.00 C ATOM 0 H PHE A 5 -1.761 1.277 6.066 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.130 -0.711 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.374 0.410 5.920 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.447 -0.432 7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.229 -2.914 7.458 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.969 -0.733 4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.297 -4.848 7.165 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.489 -2.667 4.186 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.154 -4.725 5.526 1.00 0.00 H new ATOM 77 N MET A 6 -1.711 -3.052 4.993 1.00 0.00 N ATOM 78 CA MET A 6 -2.361 -4.374 5.247 1.00 0.00 C ATOM 79 C MET A 6 -3.735 -4.443 4.573 1.00 0.00 C ATOM 80 O MET A 6 -4.393 -5.464 4.596 1.00 0.00 O ATOM 81 CB MET A 6 -2.507 -4.485 6.767 1.00 0.00 C ATOM 82 CG MET A 6 -2.135 -5.901 7.210 1.00 0.00 C ATOM 83 SD MET A 6 -1.931 -5.937 9.008 1.00 0.00 S ATOM 84 CE MET A 6 -0.124 -5.841 9.036 1.00 0.00 C ATOM 0 H MET A 6 -0.952 -3.073 4.312 1.00 0.00 H new ATOM 0 HA MET A 6 -1.767 -5.191 4.839 1.00 0.00 H new ATOM 0 HB2 MET A 6 -1.863 -3.757 7.260 1.00 0.00 H new ATOM 0 HB3 MET A 6 -3.531 -4.256 7.063 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.911 -6.604 6.907 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.212 -6.215 6.722 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.252 -6.328 9.936 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.281 -6.342 8.156 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.185 -4.796 9.033 1.00 0.00 H new ATOM 94 N TRP A 7 -4.178 -3.372 3.974 1.00 0.00 N ATOM 95 CA TRP A 7 -5.512 -3.396 3.307 1.00 0.00 C ATOM 96 C TRP A 7 -5.489 -4.329 2.093 1.00 0.00 C ATOM 97 O TRP A 7 -4.553 -4.329 1.315 1.00 0.00 O ATOM 98 CB TRP A 7 -5.771 -1.957 2.864 1.00 0.00 C ATOM 99 CG TRP A 7 -6.571 -1.256 3.907 1.00 0.00 C ATOM 100 CD1 TRP A 7 -6.398 -1.386 5.242 1.00 0.00 C ATOM 101 CD2 TRP A 7 -7.668 -0.321 3.726 1.00 0.00 C ATOM 102 NE1 TRP A 7 -7.325 -0.587 5.889 1.00 0.00 N ATOM 103 CE2 TRP A 7 -8.127 0.086 4.997 1.00 0.00 C ATOM 104 CE3 TRP A 7 -8.301 0.208 2.591 1.00 0.00 C ATOM 105 CZ2 TRP A 7 -9.176 0.983 5.144 1.00 0.00 C ATOM 106 CZ3 TRP A 7 -9.365 1.117 2.731 1.00 0.00 C ATOM 107 CH2 TRP A 7 -9.801 1.505 4.007 1.00 0.00 C ATOM 0 H TRP A 7 -3.677 -2.485 3.917 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.291 -3.763 3.976 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -4.826 -1.438 2.705 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -6.304 -1.948 1.913 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.659 -2.010 5.723 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -7.404 -0.507 6.903 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.970 -0.084 1.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -9.507 1.276 6.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.849 1.518 1.853 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -10.617 2.205 4.111 1.00 0.00 H new ATOM 118 N LYS A 8 -6.520 -5.116 1.924 1.00 0.00 N ATOM 119 CA LYS A 8 -6.574 -6.044 0.759 1.00 0.00 C ATOM 120 C LYS A 8 -6.877 -5.258 -0.518 1.00 0.00 C ATOM 121 O LYS A 8 -7.860 -4.550 -0.606 1.00 0.00 O ATOM 122 CB LYS A 8 -7.715 -7.014 1.072 1.00 0.00 C ATOM 123 CG LYS A 8 -9.035 -6.244 1.125 1.00 0.00 C ATOM 124 CD LYS A 8 -9.814 -6.474 -0.172 1.00 0.00 C ATOM 125 CE LYS A 8 -11.176 -7.091 0.152 1.00 0.00 C ATOM 126 NZ LYS A 8 -11.794 -7.374 -1.173 1.00 0.00 N ATOM 0 H LYS A 8 -7.328 -5.155 2.545 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.630 -6.566 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.765 -7.792 0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.533 -7.512 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.626 -6.573 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.842 -5.180 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.947 -5.530 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.252 -7.134 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.067 -8.002 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.791 -6.406 0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.733 -7.799 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.891 -6.487 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.190 -8.033 -1.704 1.00 0.00 H new ATOM 140 N CYS A 9 -6.031 -5.366 -1.501 1.00 0.00 N ATOM 141 CA CYS A 9 -6.251 -4.617 -2.767 1.00 0.00 C ATOM 142 C CYS A 9 -5.956 -5.515 -3.971 1.00 0.00 C ATOM 143 O CYS A 9 -5.689 -6.691 -3.829 1.00 0.00 O ATOM 144 CB CYS A 9 -5.264 -3.443 -2.719 1.00 0.00 C ATOM 145 SG CYS A 9 -3.774 -3.896 -1.787 1.00 0.00 S ATOM 0 H CYS A 9 -5.191 -5.945 -1.482 1.00 0.00 H new ATOM 0 HA CYS A 9 -7.282 -4.276 -2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.990 -3.150 -3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.741 -2.579 -2.255 1.00 0.00 H new ATOM 150 N LYS A 10 -6.005 -4.968 -5.155 1.00 0.00 N ATOM 151 CA LYS A 10 -5.732 -5.791 -6.368 1.00 0.00 C ATOM 152 C LYS A 10 -4.317 -5.536 -6.881 1.00 0.00 C ATOM 153 O LYS A 10 -3.626 -6.442 -7.303 1.00 0.00 O ATOM 154 CB LYS A 10 -6.762 -5.331 -7.400 1.00 0.00 C ATOM 155 CG LYS A 10 -6.373 -3.950 -7.939 1.00 0.00 C ATOM 156 CD LYS A 10 -7.513 -3.405 -8.801 1.00 0.00 C ATOM 157 CE LYS A 10 -7.401 -1.882 -8.898 1.00 0.00 C ATOM 158 NZ LYS A 10 -6.715 -1.626 -10.196 1.00 0.00 N ATOM 0 H LYS A 10 -6.222 -3.988 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.805 -6.859 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.817 -6.049 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.752 -5.289 -6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.168 -3.269 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.458 -4.021 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.473 -3.847 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.474 -3.682 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.384 -1.412 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.831 -1.475 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.602 -0.601 -10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.779 -2.079 -10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.284 -2.019 -10.973 1.00 0.00 H new ATOM 172 N ASN A 11 -3.881 -4.308 -6.860 1.00 0.00 N ATOM 173 CA ASN A 11 -2.511 -4.006 -7.359 1.00 0.00 C ATOM 174 C ASN A 11 -1.959 -2.732 -6.718 1.00 0.00 C ATOM 175 O ASN A 11 -0.791 -2.656 -6.396 1.00 0.00 O ATOM 176 CB ASN A 11 -2.672 -3.821 -8.868 1.00 0.00 C ATOM 177 CG ASN A 11 -2.065 -5.022 -9.595 1.00 0.00 C ATOM 178 OD1 ASN A 11 -1.229 -5.717 -9.050 1.00 0.00 O ATOM 179 ND2 ASN A 11 -2.449 -5.298 -10.811 1.00 0.00 N ATOM 0 H ASN A 11 -4.410 -3.505 -6.521 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.808 -4.801 -7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.727 -3.723 -9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.180 -2.902 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.048 -6.096 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.150 -4.716 -11.269 1.00 0.00 H new ATOM 186 N SER A 12 -2.779 -1.732 -6.523 1.00 0.00 N ATOM 187 CA SER A 12 -2.275 -0.473 -5.898 1.00 0.00 C ATOM 188 C SER A 12 -3.297 0.668 -6.006 1.00 0.00 C ATOM 189 O SER A 12 -3.205 1.656 -5.305 1.00 0.00 O ATOM 190 CB SER A 12 -1.019 -0.116 -6.690 1.00 0.00 C ATOM 191 OG SER A 12 -0.761 1.277 -6.563 1.00 0.00 O ATOM 0 H SER A 12 -3.769 -1.732 -6.768 1.00 0.00 H new ATOM 0 HA SER A 12 -2.084 -0.614 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.168 -0.690 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.151 -0.379 -7.740 1.00 0.00 H new ATOM 0 HG SER A 12 0.046 1.508 -7.069 1.00 0.00 H new ATOM 197 N ASN A 13 -4.257 0.558 -6.880 1.00 0.00 N ATOM 198 CA ASN A 13 -5.258 1.656 -7.024 1.00 0.00 C ATOM 199 C ASN A 13 -6.009 1.879 -5.708 1.00 0.00 C ATOM 200 O ASN A 13 -6.714 2.855 -5.547 1.00 0.00 O ATOM 201 CB ASN A 13 -6.215 1.179 -8.114 1.00 0.00 C ATOM 202 CG ASN A 13 -6.064 2.071 -9.348 1.00 0.00 C ATOM 203 OD1 ASN A 13 -7.036 2.598 -9.853 1.00 0.00 O ATOM 204 ND2 ASN A 13 -4.879 2.261 -9.858 1.00 0.00 N ATOM 0 H ASN A 13 -4.394 -0.241 -7.500 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.788 2.606 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.001 0.142 -8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.242 1.212 -7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.767 2.852 -10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.064 1.818 -9.433 1.00 0.00 H new ATOM 211 N ASP A 14 -5.874 0.982 -4.771 1.00 0.00 N ATOM 212 CA ASP A 14 -6.596 1.153 -3.476 1.00 0.00 C ATOM 213 C ASP A 14 -5.622 1.504 -2.344 1.00 0.00 C ATOM 214 O ASP A 14 -6.030 1.822 -1.244 1.00 0.00 O ATOM 215 CB ASP A 14 -7.257 -0.198 -3.210 1.00 0.00 C ATOM 216 CG ASP A 14 -8.653 0.025 -2.625 1.00 0.00 C ATOM 217 OD1 ASP A 14 -9.042 1.174 -2.494 1.00 0.00 O ATOM 218 OD2 ASP A 14 -9.307 -0.956 -2.317 1.00 0.00 O ATOM 0 H ASP A 14 -5.299 0.143 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.320 1.966 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.326 -0.770 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.650 -0.782 -2.518 1.00 0.00 H new ATOM 223 N CYS A 15 -4.342 1.443 -2.593 1.00 0.00 N ATOM 224 CA CYS A 15 -3.362 1.766 -1.520 1.00 0.00 C ATOM 225 C CYS A 15 -3.211 3.279 -1.355 1.00 0.00 C ATOM 226 O CYS A 15 -3.595 4.054 -2.208 1.00 0.00 O ATOM 227 CB CYS A 15 -2.053 1.144 -1.999 1.00 0.00 C ATOM 228 SG CYS A 15 -2.283 -0.639 -2.173 1.00 0.00 S ATOM 0 H CYS A 15 -3.934 1.184 -3.491 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.674 1.384 -0.548 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.755 1.581 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.254 1.354 -1.288 1.00 0.00 H new ATOM 233 N CYS A 16 -2.656 3.698 -0.252 1.00 0.00 N ATOM 234 CA CYS A 16 -2.473 5.156 -0.007 1.00 0.00 C ATOM 235 C CYS A 16 -1.235 5.673 -0.733 1.00 0.00 C ATOM 236 O CYS A 16 -0.480 4.920 -1.314 1.00 0.00 O ATOM 237 CB CYS A 16 -2.271 5.270 1.501 1.00 0.00 C ATOM 238 SG CYS A 16 -3.874 5.201 2.333 1.00 0.00 S ATOM 0 H CYS A 16 -2.319 3.090 0.494 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.321 5.739 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.631 4.462 1.855 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.765 6.205 1.741 1.00 0.00 H new ATOM 243 N LYS A 17 -1.015 6.957 -0.691 1.00 0.00 N ATOM 244 CA LYS A 17 0.177 7.528 -1.362 1.00 0.00 C ATOM 245 C LYS A 17 1.440 6.836 -0.843 1.00 0.00 C ATOM 246 O LYS A 17 1.484 6.366 0.277 1.00 0.00 O ATOM 247 CB LYS A 17 0.174 9.008 -0.978 1.00 0.00 C ATOM 248 CG LYS A 17 1.257 9.745 -1.766 1.00 0.00 C ATOM 249 CD LYS A 17 0.604 10.643 -2.820 1.00 0.00 C ATOM 250 CE LYS A 17 -0.422 11.561 -2.151 1.00 0.00 C ATOM 251 NZ LYS A 17 -0.122 12.921 -2.680 1.00 0.00 N ATOM 0 H LYS A 17 -1.613 7.635 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 17 0.157 7.392 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.802 9.446 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.351 9.117 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.868 10.344 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.923 9.028 -2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.364 11.239 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.118 10.033 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.441 11.258 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.331 11.530 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.785 13.608 -2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.852 13.185 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.223 12.921 -3.715 1.00 0.00 H new ATOM 265 N ASP A 18 2.460 6.762 -1.649 1.00 0.00 N ATOM 266 CA ASP A 18 3.717 6.095 -1.203 1.00 0.00 C ATOM 267 C ASP A 18 3.426 4.655 -0.776 1.00 0.00 C ATOM 268 O ASP A 18 4.210 4.028 -0.092 1.00 0.00 O ATOM 269 CB ASP A 18 4.210 6.920 -0.014 1.00 0.00 C ATOM 270 CG ASP A 18 4.866 8.206 -0.519 1.00 0.00 C ATOM 271 OD1 ASP A 18 5.655 8.120 -1.445 1.00 0.00 O ATOM 272 OD2 ASP A 18 4.568 9.254 0.029 1.00 0.00 O ATOM 0 H ASP A 18 2.480 7.134 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 18 4.462 6.047 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.376 7.160 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.924 6.341 0.572 1.00 0.00 H new ATOM 277 N LEU A 19 2.301 4.126 -1.176 1.00 0.00 N ATOM 278 CA LEU A 19 1.958 2.725 -0.794 1.00 0.00 C ATOM 279 C LEU A 19 1.522 1.939 -2.033 1.00 0.00 C ATOM 280 O LEU A 19 0.901 2.473 -2.931 1.00 0.00 O ATOM 281 CB LEU A 19 0.801 2.858 0.199 1.00 0.00 C ATOM 282 CG LEU A 19 0.766 1.640 1.127 1.00 0.00 C ATOM 283 CD1 LEU A 19 2.132 1.459 1.799 1.00 0.00 C ATOM 284 CD2 LEU A 19 -0.294 1.858 2.207 1.00 0.00 C ATOM 0 H LEU A 19 1.605 4.602 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 19 2.803 2.191 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.917 3.769 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.143 2.943 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 19 0.527 0.751 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.101 0.591 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.896 1.308 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.372 2.349 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.322 0.993 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.047 2.749 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.270 1.988 1.738 1.00 0.00 H new ATOM 296 N VAL A 20 1.845 0.676 -2.095 1.00 0.00 N ATOM 297 CA VAL A 20 1.452 -0.135 -3.284 1.00 0.00 C ATOM 298 C VAL A 20 1.058 -1.552 -2.860 1.00 0.00 C ATOM 299 O VAL A 20 1.696 -2.159 -2.027 1.00 0.00 O ATOM 300 CB VAL A 20 2.700 -0.174 -4.161 1.00 0.00 C ATOM 301 CG1 VAL A 20 2.996 1.231 -4.691 1.00 0.00 C ATOM 302 CG2 VAL A 20 3.886 -0.666 -3.328 1.00 0.00 C ATOM 0 H VAL A 20 2.363 0.171 -1.376 1.00 0.00 H new ATOM 0 HA VAL A 20 0.593 0.290 -3.804 1.00 0.00 H new ATOM 0 HB VAL A 20 2.537 -0.850 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.888 1.203 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.149 1.583 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.162 1.908 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.780 -0.696 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.049 0.013 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.675 -1.666 -2.949 1.00 0.00 H new ATOM 312 N CYS A 21 0.012 -2.081 -3.433 1.00 0.00 N ATOM 313 CA CYS A 21 -0.424 -3.460 -3.066 1.00 0.00 C ATOM 314 C CYS A 21 0.672 -4.474 -3.404 1.00 0.00 C ATOM 315 O CYS A 21 1.514 -4.232 -4.246 1.00 0.00 O ATOM 316 CB CYS A 21 -1.671 -3.713 -3.909 1.00 0.00 C ATOM 317 SG CYS A 21 -2.686 -4.967 -3.103 1.00 0.00 S ATOM 0 H CYS A 21 -0.560 -1.619 -4.140 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.624 -3.561 -1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.238 -2.790 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.388 -4.044 -4.908 1.00 0.00 H new ATOM 322 N SER A 22 0.673 -5.608 -2.753 1.00 0.00 N ATOM 323 CA SER A 22 1.721 -6.625 -3.046 1.00 0.00 C ATOM 324 C SER A 22 1.165 -8.039 -2.897 1.00 0.00 C ATOM 325 O SER A 22 0.647 -8.406 -1.860 1.00 0.00 O ATOM 326 CB SER A 22 2.819 -6.366 -2.017 1.00 0.00 C ATOM 327 OG SER A 22 4.025 -6.033 -2.691 1.00 0.00 O ATOM 0 H SER A 22 -0.003 -5.871 -2.036 1.00 0.00 H new ATOM 0 HA SER A 22 2.089 -6.547 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.525 -5.555 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.968 -7.250 -1.397 1.00 0.00 H new ATOM 0 HG SER A 22 4.669 -6.764 -2.589 1.00 0.00 H new ATOM 333 N SER A 23 1.279 -8.833 -3.931 1.00 0.00 N ATOM 334 CA SER A 23 0.773 -10.228 -3.866 1.00 0.00 C ATOM 335 C SER A 23 1.538 -11.002 -2.794 1.00 0.00 C ATOM 336 O SER A 23 1.046 -11.961 -2.234 1.00 0.00 O ATOM 337 CB SER A 23 1.044 -10.816 -5.250 1.00 0.00 C ATOM 338 OG SER A 23 1.155 -12.230 -5.146 1.00 0.00 O ATOM 0 H SER A 23 1.704 -8.569 -4.820 1.00 0.00 H new ATOM 0 HA SER A 23 -0.285 -10.277 -3.609 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.237 -10.552 -5.934 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.962 -10.397 -5.663 1.00 0.00 H new ATOM 0 HG SER A 23 1.327 -12.611 -6.032 1.00 0.00 H new ATOM 344 N ARG A 24 2.737 -10.580 -2.494 1.00 0.00 N ATOM 345 CA ARG A 24 3.530 -11.280 -1.446 1.00 0.00 C ATOM 346 C ARG A 24 3.024 -10.836 -0.079 1.00 0.00 C ATOM 347 O ARG A 24 2.895 -11.621 0.839 1.00 0.00 O ATOM 348 CB ARG A 24 4.973 -10.825 -1.666 1.00 0.00 C ATOM 349 CG ARG A 24 5.932 -11.917 -1.190 1.00 0.00 C ATOM 350 CD ARG A 24 7.353 -11.354 -1.125 1.00 0.00 C ATOM 351 NE ARG A 24 7.976 -12.021 0.051 1.00 0.00 N ATOM 352 CZ ARG A 24 8.784 -13.030 -0.123 1.00 0.00 C ATOM 353 NH1 ARG A 24 8.306 -14.205 -0.427 1.00 0.00 N ATOM 354 NH2 ARG A 24 10.073 -12.865 0.003 1.00 0.00 N ATOM 0 H ARG A 24 3.200 -9.782 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 24 3.449 -12.366 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.142 -10.614 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.160 -9.899 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.628 -12.280 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.897 -12.768 -1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.905 -11.569 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.344 -10.271 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 24 7.771 -11.689 0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.300 -14.335 -0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.939 -14.993 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.449 -11.946 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.704 -13.655 -0.133 1.00 0.00 H new ATOM 368 N TRP A 25 2.706 -9.580 0.045 1.00 0.00 N ATOM 369 CA TRP A 25 2.168 -9.070 1.332 1.00 0.00 C ATOM 370 C TRP A 25 0.643 -9.010 1.251 1.00 0.00 C ATOM 371 O TRP A 25 -0.019 -8.506 2.130 1.00 0.00 O ATOM 372 CB TRP A 25 2.763 -7.685 1.497 1.00 0.00 C ATOM 373 CG TRP A 25 4.250 -7.771 1.365 1.00 0.00 C ATOM 374 CD1 TRP A 25 4.973 -7.318 0.313 1.00 0.00 C ATOM 375 CD2 TRP A 25 5.209 -8.340 2.302 1.00 0.00 C ATOM 376 NE1 TRP A 25 6.311 -7.578 0.549 1.00 0.00 N ATOM 377 CE2 TRP A 25 6.504 -8.203 1.756 1.00 0.00 C ATOM 378 CE3 TRP A 25 5.083 -8.959 3.560 1.00 0.00 C ATOM 379 CZ2 TRP A 25 7.631 -8.658 2.422 1.00 0.00 C ATOM 380 CZ3 TRP A 25 6.222 -9.419 4.239 1.00 0.00 C ATOM 381 CH2 TRP A 25 7.495 -9.269 3.671 1.00 0.00 C ATOM 0 H TRP A 25 2.796 -8.882 -0.693 1.00 0.00 H new ATOM 0 HA TRP A 25 2.422 -9.707 2.179 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.357 -7.010 0.744 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.495 -7.275 2.471 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.571 -6.834 -0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.063 -7.335 -0.096 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.106 -9.080 4.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.609 -8.541 1.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.117 -9.891 5.205 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.368 -9.625 4.198 1.00 0.00 H new ATOM 392 N LYS A 26 0.092 -9.539 0.187 1.00 0.00 N ATOM 393 CA LYS A 26 -1.386 -9.563 -0.003 1.00 0.00 C ATOM 394 C LYS A 26 -2.024 -8.277 0.498 1.00 0.00 C ATOM 395 O LYS A 26 -3.135 -8.269 0.990 1.00 0.00 O ATOM 396 CB LYS A 26 -1.924 -10.791 0.761 1.00 0.00 C ATOM 397 CG LYS A 26 -1.127 -11.060 2.046 1.00 0.00 C ATOM 398 CD LYS A 26 -1.625 -10.145 3.162 1.00 0.00 C ATOM 399 CE LYS A 26 -2.757 -10.840 3.922 1.00 0.00 C ATOM 400 NZ LYS A 26 -3.943 -10.732 3.028 1.00 0.00 N ATOM 0 H LYS A 26 0.620 -9.965 -0.575 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.634 -9.636 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.973 -10.632 1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.879 -11.668 0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.237 -12.103 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.065 -10.889 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.808 -9.906 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.978 -9.202 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.512 -11.882 4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.941 -10.359 4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.810 -10.713 3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.878 -9.857 2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.970 -11.550 2.387 1.00 0.00 H new ATOM 414 N TRP A 27 -1.348 -7.182 0.333 1.00 0.00 N ATOM 415 CA TRP A 27 -1.943 -5.880 0.756 1.00 0.00 C ATOM 416 C TRP A 27 -1.012 -4.708 0.450 1.00 0.00 C ATOM 417 O TRP A 27 0.114 -4.881 0.026 1.00 0.00 O ATOM 418 CB TRP A 27 -2.235 -5.984 2.261 1.00 0.00 C ATOM 419 CG TRP A 27 -1.005 -6.334 3.045 1.00 0.00 C ATOM 420 CD1 TRP A 27 0.238 -5.843 2.838 1.00 0.00 C ATOM 421 CD2 TRP A 27 -0.895 -7.226 4.191 1.00 0.00 C ATOM 422 NE1 TRP A 27 1.095 -6.397 3.770 1.00 0.00 N ATOM 423 CE2 TRP A 27 0.447 -7.250 4.620 1.00 0.00 C ATOM 424 CE3 TRP A 27 -1.820 -8.016 4.886 1.00 0.00 C ATOM 425 CZ2 TRP A 27 0.865 -8.022 5.695 1.00 0.00 C ATOM 426 CZ3 TRP A 27 -1.407 -8.802 5.976 1.00 0.00 C ATOM 427 CH2 TRP A 27 -0.064 -8.804 6.380 1.00 0.00 C ATOM 0 H TRP A 27 -0.414 -7.125 -0.073 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.860 -5.686 0.200 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.637 -5.036 2.619 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.002 -6.740 2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.515 -5.135 2.071 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.093 -6.194 3.818 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.856 -8.021 4.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.901 -8.017 5.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.128 -9.408 6.505 1.00 0.00 H new ATOM 0 HH2 TRP A 27 0.249 -9.409 7.218 1.00 0.00 H new ATOM 438 N CYS A 28 -1.489 -3.509 0.656 1.00 0.00 N ATOM 439 CA CYS A 28 -0.663 -2.304 0.375 1.00 0.00 C ATOM 440 C CYS A 28 0.585 -2.282 1.257 1.00 0.00 C ATOM 441 O CYS A 28 0.503 -2.152 2.462 1.00 0.00 O ATOM 442 CB CYS A 28 -1.582 -1.131 0.708 1.00 0.00 C ATOM 443 SG CYS A 28 -3.024 -1.186 -0.378 1.00 0.00 S ATOM 0 H CYS A 28 -2.425 -3.314 1.011 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.307 -2.275 -0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.894 -1.182 1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.050 -0.188 0.580 1.00 0.00 H new ATOM 448 N VAL A 29 1.738 -2.399 0.663 1.00 0.00 N ATOM 449 CA VAL A 29 2.991 -2.376 1.463 1.00 0.00 C ATOM 450 C VAL A 29 3.746 -1.079 1.215 1.00 0.00 C ATOM 451 O VAL A 29 3.701 -0.526 0.132 1.00 0.00 O ATOM 452 CB VAL A 29 3.813 -3.552 0.958 1.00 0.00 C ATOM 453 CG1 VAL A 29 3.121 -4.853 1.345 1.00 0.00 C ATOM 454 CG2 VAL A 29 3.933 -3.472 -0.564 1.00 0.00 C ATOM 0 H VAL A 29 1.867 -2.510 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 29 2.790 -2.442 2.532 1.00 0.00 H new ATOM 0 HB VAL A 29 4.808 -3.521 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.707 -5.698 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.032 -4.909 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.127 -4.884 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.522 -4.314 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.939 -3.505 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.424 -2.539 -0.842 1.00 0.00 H new ATOM 464 N LEU A 30 4.445 -0.596 2.203 1.00 0.00 N ATOM 465 CA LEU A 30 5.213 0.664 2.023 1.00 0.00 C ATOM 466 C LEU A 30 5.880 0.667 0.647 1.00 0.00 C ATOM 467 O LEU A 30 6.505 -0.296 0.250 1.00 0.00 O ATOM 468 CB LEU A 30 6.262 0.657 3.137 1.00 0.00 C ATOM 469 CG LEU A 30 5.563 0.726 4.497 1.00 0.00 C ATOM 470 CD1 LEU A 30 6.592 0.515 5.610 1.00 0.00 C ATOM 471 CD2 LEU A 30 4.911 2.100 4.665 1.00 0.00 C ATOM 0 H LEU A 30 4.517 -1.020 3.128 1.00 0.00 H new ATOM 0 HA LEU A 30 4.582 1.551 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.869 -0.246 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.938 1.504 3.020 1.00 0.00 H new ATOM 0 HG LEU A 30 4.800 -0.050 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.095 0.564 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.061 -0.462 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.354 1.292 5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.413 2.150 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.676 2.875 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.179 2.255 3.872 1.00 0.00 H new ATOM 483 N ALA A 31 5.739 1.730 -0.095 1.00 0.00 N ATOM 484 CA ALA A 31 6.357 1.774 -1.455 1.00 0.00 C ATOM 485 C ALA A 31 7.856 2.066 -1.372 1.00 0.00 C ATOM 486 O ALA A 31 8.388 2.846 -2.133 1.00 0.00 O ATOM 487 CB ALA A 31 5.629 2.898 -2.191 1.00 0.00 C ATOM 0 H ALA A 31 5.225 2.568 0.178 1.00 0.00 H new ATOM 0 HA ALA A 31 6.261 0.818 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.029 2.991 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.564 2.669 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.773 3.836 -1.656 1.00 0.00 H new ATOM 493 N SER A 32 8.537 1.424 -0.467 1.00 0.00 N ATOM 494 CA SER A 32 10.011 1.635 -0.333 1.00 0.00 C ATOM 495 C SER A 32 10.341 3.117 -0.112 1.00 0.00 C ATOM 496 O SER A 32 9.980 3.960 -0.907 1.00 0.00 O ATOM 497 CB SER A 32 10.592 1.157 -1.662 1.00 0.00 C ATOM 498 OG SER A 32 11.708 1.969 -2.004 1.00 0.00 O ATOM 0 H SER A 32 8.137 0.757 0.192 1.00 0.00 H new ATOM 0 HA SER A 32 10.420 1.098 0.523 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.897 0.113 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.835 1.211 -2.444 1.00 0.00 H new ATOM 0 HG SER A 32 12.085 1.665 -2.856 1.00 0.00 H new ATOM 504 N PRO A 33 11.033 3.384 0.965 1.00 0.00 N ATOM 505 CA PRO A 33 11.427 4.776 1.285 1.00 0.00 C ATOM 506 C PRO A 33 12.590 5.222 0.390 1.00 0.00 C ATOM 507 O PRO A 33 13.631 5.628 0.867 1.00 0.00 O ATOM 508 CB PRO A 33 11.863 4.698 2.744 1.00 0.00 C ATOM 509 CG PRO A 33 12.275 3.275 2.957 1.00 0.00 C ATOM 510 CD PRO A 33 11.505 2.428 1.973 1.00 0.00 C ATOM 0 HA PRO A 33 10.626 5.497 1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.688 5.381 2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.049 4.976 3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.348 3.160 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.063 2.963 3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.138 1.660 1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.673 1.915 2.455 1.00 0.00 H new ATOM 518 N PHE A 34 12.419 5.148 -0.902 1.00 0.00 N ATOM 519 CA PHE A 34 13.513 5.569 -1.828 1.00 0.00 C ATOM 520 C PHE A 34 14.802 4.807 -1.512 1.00 0.00 C ATOM 521 O PHE A 34 15.824 5.151 -2.082 1.00 0.00 O ATOM 522 CB PHE A 34 13.697 7.065 -1.568 1.00 0.00 C ATOM 523 CG PHE A 34 12.555 7.828 -2.193 1.00 0.00 C ATOM 524 CD1 PHE A 34 11.351 7.976 -1.497 1.00 0.00 C ATOM 525 CD2 PHE A 34 12.701 8.387 -3.469 1.00 0.00 C ATOM 526 CE1 PHE A 34 10.291 8.685 -2.075 1.00 0.00 C ATOM 527 CE2 PHE A 34 11.641 9.095 -4.048 1.00 0.00 C ATOM 528 CZ PHE A 34 10.436 9.244 -3.350 1.00 0.00 C ATOM 529 OXT PHE A 34 14.745 3.893 -0.707 1.00 0.00 O ATOM 0 H PHE A 34 11.570 4.814 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 34 13.272 5.361 -2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.733 7.257 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 34 14.646 7.403 -1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.239 7.543 -0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 34 13.631 8.272 -4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.362 8.801 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.752 9.526 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.618 9.791 -3.796 1.00 0.00 H new TER 539 PHE A 34