USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 646 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 9 CYS SG : rot 177:sc= 1.32 USER MOD Set 1.2: A 81 CYS SG : rot 62:sc= 1.99 USER MOD Set 2.1: A 11 ASN : amide:sc= -0.967 K(o=2,f=-5.1!) USER MOD Set 2.2: A 15 ASN : amide:sc= 1.3 K(o=2,f=0.75) USER MOD Set 2.3: A 17 HIS : no HD1:sc= 0.387 K(o=2,f=-5.9!) USER MOD Set 2.4: A 36 SER OG : rot -143:sc= 1.31 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.739 (180deg=0.673) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 110:sc= -0.657 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0321 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 177:sc= -0.393 (180deg=-0.421) USER MOD Single : A 22 CYS SG : rot 69:sc= -0.78 USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 1.11 (180deg=0.747) USER MOD Single : A 30 MET CE :methyl 168:sc=-0.00058 (180deg=-0.172) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= 0.789 (180deg=-0.262!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 51 ASN : amide:sc=-0.000805 X(o=-0.0008,f=-0.0008) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 72:sc= -0.501 USER MOD Single : A 57 ASN : amide:sc= 1.59 K(o=1.6,f=-5.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 3:sc= 1.11 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc=0.000885 USER MOD Single : A 72 TYR OH : rot -5:sc= 0.051 USER MOD Single : A 73 SER OG : rot 15:sc= 0.84 USER MOD Single : A 80 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.353 -1.962 -0.378 1.00 0.00 N ATOM 2 CA MET A 1 3.794 -1.441 -1.689 1.00 0.00 C ATOM 3 C MET A 1 4.892 -0.405 -1.466 1.00 0.00 C ATOM 4 O MET A 1 4.744 0.506 -0.648 1.00 0.00 O ATOM 5 CB MET A 1 2.632 -0.866 -2.525 1.00 0.00 C ATOM 6 CG MET A 1 3.095 -0.421 -3.922 1.00 0.00 C ATOM 7 SD MET A 1 3.837 -1.719 -4.950 1.00 0.00 S ATOM 8 CE MET A 1 4.301 -0.716 -6.389 1.00 0.00 C ATOM 0 H1 MET A 1 2.732 -2.783 -0.522 1.00 0.00 H new ATOM 0 H2 MET A 1 4.183 -2.249 0.178 1.00 0.00 H new ATOM 0 H3 MET A 1 2.833 -1.220 0.133 1.00 0.00 H new ATOM 0 HA MET A 1 4.189 -2.272 -2.273 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.850 -1.618 -2.625 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.193 -0.017 -2.001 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.239 -0.006 -4.454 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.820 0.385 -3.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.777 -1.350 -7.136 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.409 -0.259 -6.817 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.996 0.065 -6.080 1.00 0.00 H new ATOM 20 N GLU A 2 5.998 -0.542 -2.197 1.00 0.00 N ATOM 21 CA GLU A 2 7.174 0.306 -2.102 1.00 0.00 C ATOM 22 C GLU A 2 7.546 0.706 -3.531 1.00 0.00 C ATOM 23 O GLU A 2 7.146 0.037 -4.492 1.00 0.00 O ATOM 24 CB GLU A 2 8.331 -0.434 -1.406 1.00 0.00 C ATOM 25 CG GLU A 2 7.988 -0.992 -0.011 1.00 0.00 C ATOM 26 CD GLU A 2 7.292 -2.370 -0.038 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.945 -3.380 -0.385 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.096 -2.462 0.327 1.00 0.00 O ATOM 0 H GLU A 2 6.098 -1.277 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 2 6.970 1.191 -1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.654 -1.257 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.177 0.247 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.905 -1.071 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.343 -0.281 0.505 1.00 0.00 H new ATOM 35 N TRP A 3 8.310 1.783 -3.677 1.00 0.00 N ATOM 36 CA TRP A 3 8.560 2.435 -4.947 1.00 0.00 C ATOM 37 C TRP A 3 10.050 2.763 -5.034 1.00 0.00 C ATOM 38 O TRP A 3 10.773 2.640 -4.044 1.00 0.00 O ATOM 39 CB TRP A 3 7.667 3.687 -5.022 1.00 0.00 C ATOM 40 CG TRP A 3 6.203 3.457 -4.768 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.617 3.448 -3.550 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.130 3.176 -5.720 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.273 3.169 -3.675 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.914 2.991 -4.995 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.054 3.075 -7.127 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.696 2.703 -5.630 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.839 2.784 -7.777 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.662 2.595 -7.030 1.00 0.00 C ATOM 0 H TRP A 3 8.782 2.234 -2.893 1.00 0.00 H new ATOM 0 HA TRP A 3 8.315 1.798 -5.797 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.033 4.416 -4.299 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.780 4.133 -6.010 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.127 3.632 -2.616 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.625 3.102 -2.890 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.946 3.224 -7.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.796 2.566 -5.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.811 2.706 -8.854 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.733 2.367 -7.532 1.00 0.00 H new ATOM 59 N LEU A 4 10.517 3.177 -6.207 1.00 0.00 N ATOM 60 CA LEU A 4 11.924 3.355 -6.528 1.00 0.00 C ATOM 61 C LEU A 4 12.080 4.666 -7.278 1.00 0.00 C ATOM 62 O LEU A 4 11.399 4.918 -8.268 1.00 0.00 O ATOM 63 CB LEU A 4 12.387 2.179 -7.396 1.00 0.00 C ATOM 64 CG LEU A 4 13.850 2.212 -7.876 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.849 2.028 -6.729 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.065 1.087 -8.897 1.00 0.00 C ATOM 0 H LEU A 4 9.901 3.406 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 4 12.531 3.383 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.234 1.258 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.742 2.128 -8.273 1.00 0.00 H new ATOM 0 HG LEU A 4 14.027 3.192 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.865 2.059 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.717 2.828 -6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.676 1.066 -6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.099 1.102 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.853 0.126 -8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.396 1.233 -9.745 1.00 0.00 H new ATOM 78 N VAL A 5 12.992 5.488 -6.795 1.00 0.00 N ATOM 79 CA VAL A 5 13.476 6.686 -7.464 1.00 0.00 C ATOM 80 C VAL A 5 14.454 6.178 -8.509 1.00 0.00 C ATOM 81 O VAL A 5 15.514 5.655 -8.131 1.00 0.00 O ATOM 82 CB VAL A 5 14.185 7.620 -6.464 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.568 8.937 -7.146 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.301 7.905 -5.241 1.00 0.00 C ATOM 0 H VAL A 5 13.435 5.335 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 5 12.666 7.266 -7.906 1.00 0.00 H new ATOM 0 HB VAL A 5 15.088 7.115 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.068 9.587 -6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.240 8.733 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.669 9.430 -7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.831 8.567 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.376 8.382 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.068 6.969 -4.734 1.00 0.00 H new ATOM 94 N LYS A 6 14.076 6.335 -9.787 1.00 0.00 N ATOM 95 CA LYS A 6 14.861 5.951 -10.967 1.00 0.00 C ATOM 96 C LYS A 6 15.519 7.164 -11.636 1.00 0.00 C ATOM 97 O LYS A 6 16.510 6.988 -12.338 1.00 0.00 O ATOM 98 CB LYS A 6 13.962 5.227 -11.984 1.00 0.00 C ATOM 99 CG LYS A 6 13.779 3.729 -11.673 1.00 0.00 C ATOM 100 CD LYS A 6 14.757 2.803 -12.420 1.00 0.00 C ATOM 101 CE LYS A 6 16.241 3.158 -12.223 1.00 0.00 C ATOM 102 NZ LYS A 6 17.146 2.189 -12.895 1.00 0.00 N ATOM 0 H LYS A 6 13.178 6.750 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 6 15.653 5.283 -10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.985 5.710 -12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.391 5.335 -12.980 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.899 3.575 -10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.759 3.440 -11.925 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.594 1.778 -12.088 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.526 2.834 -13.485 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.428 4.158 -12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.468 3.185 -11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.135 2.469 -12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.988 1.238 -12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.950 2.181 -13.916 1.00 0.00 H new ATOM 116 N LYS A 7 15.000 8.374 -11.413 1.00 0.00 N ATOM 117 CA LYS A 7 15.579 9.663 -11.801 1.00 0.00 C ATOM 118 C LYS A 7 15.161 10.652 -10.714 1.00 0.00 C ATOM 119 O LYS A 7 14.118 10.452 -10.086 1.00 0.00 O ATOM 120 CB LYS A 7 15.106 10.138 -13.190 1.00 0.00 C ATOM 121 CG LYS A 7 15.725 9.330 -14.341 1.00 0.00 C ATOM 122 CD LYS A 7 15.257 9.827 -15.715 1.00 0.00 C ATOM 123 CE LYS A 7 15.845 8.909 -16.799 1.00 0.00 C ATOM 124 NZ LYS A 7 15.431 9.310 -18.167 1.00 0.00 N ATOM 0 H LYS A 7 14.110 8.487 -10.927 1.00 0.00 H new ATOM 0 HA LYS A 7 16.663 9.579 -11.885 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.020 10.063 -13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.360 11.191 -13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.812 9.394 -14.284 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.461 8.279 -14.228 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.168 9.824 -15.767 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.581 10.856 -15.875 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.933 8.924 -16.733 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.528 7.883 -16.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.853 8.661 -18.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.394 9.271 -18.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.755 10.280 -18.358 1.00 0.00 H new ATOM 138 N SER A 8 15.941 11.701 -10.493 1.00 0.00 N ATOM 139 CA SER A 8 15.720 12.714 -9.468 1.00 0.00 C ATOM 140 C SER A 8 16.315 14.027 -9.981 1.00 0.00 C ATOM 141 O SER A 8 17.318 14.008 -10.703 1.00 0.00 O ATOM 142 CB SER A 8 16.396 12.256 -8.166 1.00 0.00 C ATOM 143 OG SER A 8 17.662 11.660 -8.413 1.00 0.00 O ATOM 0 H SER A 8 16.780 11.878 -11.045 1.00 0.00 H new ATOM 0 HA SER A 8 14.660 12.860 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.519 13.110 -7.500 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.752 11.542 -7.653 1.00 0.00 H new ATOM 0 HG SER A 8 18.371 12.252 -8.086 1.00 0.00 H new ATOM 149 N CYS A 9 15.731 15.158 -9.586 1.00 0.00 N ATOM 150 CA CYS A 9 16.157 16.491 -9.998 1.00 0.00 C ATOM 151 C CYS A 9 16.445 17.303 -8.740 1.00 0.00 C ATOM 152 O CYS A 9 15.535 17.882 -8.143 1.00 0.00 O ATOM 153 CB CYS A 9 15.090 17.133 -10.895 1.00 0.00 C ATOM 154 SG CYS A 9 15.029 16.217 -12.461 1.00 0.00 S ATOM 0 H CYS A 9 14.929 15.171 -8.955 1.00 0.00 H new ATOM 0 HA CYS A 9 17.068 16.449 -10.595 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.117 17.109 -10.404 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.329 18.181 -11.078 1.00 0.00 H new ATOM 0 HG CYS A 9 14.090 16.707 -13.214 1.00 0.00 H new ATOM 160 N CYS A 10 17.713 17.278 -8.318 1.00 0.00 N ATOM 161 CA CYS A 10 18.215 17.993 -7.152 1.00 0.00 C ATOM 162 C CYS A 10 17.891 19.488 -7.264 1.00 0.00 C ATOM 163 O CYS A 10 18.025 20.070 -8.346 1.00 0.00 O ATOM 164 CB CYS A 10 19.730 17.775 -7.025 1.00 0.00 C ATOM 165 SG CYS A 10 20.120 15.997 -6.963 1.00 0.00 S ATOM 0 H CYS A 10 18.437 16.742 -8.797 1.00 0.00 H new ATOM 0 HA CYS A 10 17.728 17.606 -6.257 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.241 18.235 -7.871 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.099 18.265 -6.124 1.00 0.00 H new ATOM 0 HG CYS A 10 21.406 15.838 -6.858 1.00 0.00 H new ATOM 171 N ASN A 11 17.503 20.117 -6.152 1.00 0.00 N ATOM 172 CA ASN A 11 17.205 21.543 -6.079 1.00 0.00 C ATOM 173 C ASN A 11 17.504 22.060 -4.672 1.00 0.00 C ATOM 174 O ASN A 11 17.418 21.325 -3.687 1.00 0.00 O ATOM 175 CB ASN A 11 15.734 21.830 -6.460 1.00 0.00 C ATOM 176 CG ASN A 11 14.824 21.984 -5.246 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.597 23.096 -4.774 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.372 20.879 -4.680 1.00 0.00 N ATOM 0 H ASN A 11 17.386 19.636 -5.260 1.00 0.00 H new ATOM 0 HA ASN A 11 17.839 22.065 -6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.690 22.740 -7.058 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.362 21.019 -7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.817 20.934 -3.826 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.578 19.971 -5.097 1.00 0.00 H new ATOM 185 N LYS A 12 17.796 23.358 -4.599 1.00 0.00 N ATOM 186 CA LYS A 12 17.858 24.133 -3.358 1.00 0.00 C ATOM 187 C LYS A 12 17.244 25.525 -3.556 1.00 0.00 C ATOM 188 O LYS A 12 17.290 26.355 -2.650 1.00 0.00 O ATOM 189 CB LYS A 12 19.285 24.120 -2.768 1.00 0.00 C ATOM 190 CG LYS A 12 20.434 24.491 -3.720 1.00 0.00 C ATOM 191 CD LYS A 12 20.324 25.919 -4.270 1.00 0.00 C ATOM 192 CE LYS A 12 21.633 26.423 -4.901 1.00 0.00 C ATOM 193 NZ LYS A 12 22.045 25.657 -6.107 1.00 0.00 N ATOM 0 H LYS A 12 18.002 23.917 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 12 17.240 23.659 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.309 24.808 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.480 23.123 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.383 24.383 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.449 23.788 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.530 25.955 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.034 26.592 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.517 27.473 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 12 22.429 26.371 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.933 26.049 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.187 24.659 -5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.303 25.727 -6.833 1.00 0.00 H new ATOM 207 N GLN A 13 16.682 25.786 -4.745 1.00 0.00 N ATOM 208 CA GLN A 13 16.023 27.039 -5.071 1.00 0.00 C ATOM 209 C GLN A 13 14.682 27.137 -4.344 1.00 0.00 C ATOM 210 O GLN A 13 14.307 28.232 -3.923 1.00 0.00 O ATOM 211 CB GLN A 13 15.766 27.076 -6.585 1.00 0.00 C ATOM 212 CG GLN A 13 17.021 27.336 -7.435 1.00 0.00 C ATOM 213 CD GLN A 13 17.315 28.830 -7.572 1.00 0.00 C ATOM 214 OE1 GLN A 13 18.235 29.364 -6.957 1.00 0.00 O ATOM 215 NE2 GLN A 13 16.536 29.533 -8.380 1.00 0.00 N ATOM 0 H GLN A 13 16.678 25.115 -5.513 1.00 0.00 H new ATOM 0 HA GLN A 13 16.658 27.870 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.325 26.127 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.030 27.852 -6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 13 17.877 26.837 -6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 13 16.886 26.900 -8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.777 29.074 -8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.695 30.533 -8.499 1.00 0.00 H new ATOM 224 N ASP A 14 13.959 26.015 -4.205 1.00 0.00 N ATOM 225 CA ASP A 14 12.560 26.060 -3.752 1.00 0.00 C ATOM 226 C ASP A 14 12.158 24.888 -2.848 1.00 0.00 C ATOM 227 O ASP A 14 11.020 24.810 -2.390 1.00 0.00 O ATOM 228 CB ASP A 14 11.664 26.136 -4.997 1.00 0.00 C ATOM 229 CG ASP A 14 10.207 26.490 -4.667 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.955 27.505 -3.977 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.307 25.789 -5.179 1.00 0.00 O ATOM 0 H ASP A 14 14.313 25.078 -4.397 1.00 0.00 H new ATOM 0 HA ASP A 14 12.435 26.943 -3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.067 26.881 -5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.691 25.178 -5.516 1.00 0.00 H new ATOM 236 N ASN A 15 13.087 23.959 -2.587 1.00 0.00 N ATOM 237 CA ASN A 15 12.961 22.737 -1.784 1.00 0.00 C ATOM 238 C ASN A 15 12.075 21.685 -2.468 1.00 0.00 C ATOM 239 O ASN A 15 12.168 20.504 -2.138 1.00 0.00 O ATOM 240 CB ASN A 15 12.499 23.056 -0.348 1.00 0.00 C ATOM 241 CG ASN A 15 13.011 22.097 0.730 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.393 22.536 1.811 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.033 20.795 0.508 1.00 0.00 N ATOM 0 H ASN A 15 14.029 24.052 -2.966 1.00 0.00 H new ATOM 0 HA ASN A 15 13.953 22.292 -1.707 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.821 24.066 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.409 23.054 -0.325 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.366 20.160 1.233 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.717 20.425 -0.388 1.00 0.00 H new ATOM 250 N ARG A 16 11.272 22.077 -3.458 1.00 0.00 N ATOM 251 CA ARG A 16 10.421 21.193 -4.251 1.00 0.00 C ATOM 252 C ARG A 16 11.273 20.379 -5.223 1.00 0.00 C ATOM 253 O ARG A 16 11.580 20.829 -6.327 1.00 0.00 O ATOM 254 CB ARG A 16 9.366 22.001 -5.017 1.00 0.00 C ATOM 255 CG ARG A 16 8.222 22.504 -4.121 1.00 0.00 C ATOM 256 CD ARG A 16 7.143 23.344 -4.835 1.00 0.00 C ATOM 257 NE ARG A 16 6.859 22.897 -6.211 1.00 0.00 N ATOM 258 CZ ARG A 16 7.471 23.324 -7.326 1.00 0.00 C ATOM 259 NH1 ARG A 16 8.356 24.315 -7.301 1.00 0.00 N ATOM 260 NH2 ARG A 16 7.215 22.732 -8.485 1.00 0.00 N ATOM 0 H ARG A 16 11.195 23.055 -3.739 1.00 0.00 H new ATOM 0 HA ARG A 16 9.905 20.510 -3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.847 22.854 -5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.951 21.383 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.740 21.643 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.650 23.101 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.222 23.307 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.463 24.386 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 16 6.127 22.196 -6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.585 24.772 -6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.806 24.619 -8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.555 21.955 -8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.678 23.053 -9.335 1.00 0.00 H new ATOM 274 N HIS A 17 11.674 19.190 -4.796 1.00 0.00 N ATOM 275 CA HIS A 17 12.292 18.192 -5.645 1.00 0.00 C ATOM 276 C HIS A 17 11.225 17.569 -6.544 1.00 0.00 C ATOM 277 O HIS A 17 10.028 17.618 -6.253 1.00 0.00 O ATOM 278 CB HIS A 17 12.948 17.125 -4.755 1.00 0.00 C ATOM 279 CG HIS A 17 14.278 17.569 -4.215 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.544 18.184 -3.014 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.463 17.466 -4.882 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.860 18.451 -2.968 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.465 18.046 -4.100 1.00 0.00 N ATOM 0 H HIS A 17 11.575 18.889 -3.826 1.00 0.00 H new ATOM 0 HA HIS A 17 13.056 18.645 -6.277 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.282 16.889 -3.925 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.080 16.208 -5.329 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.603 17.012 -5.852 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.363 18.925 -2.138 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.452 18.143 -4.338 1.00 0.00 H new ATOM 291 N VAL A 18 11.667 16.911 -7.612 1.00 0.00 N ATOM 292 CA VAL A 18 10.811 16.071 -8.431 1.00 0.00 C ATOM 293 C VAL A 18 11.650 14.853 -8.775 1.00 0.00 C ATOM 294 O VAL A 18 12.866 14.953 -8.973 1.00 0.00 O ATOM 295 CB VAL A 18 10.299 16.782 -9.701 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.026 16.094 -10.225 1.00 0.00 C ATOM 297 CG2 VAL A 18 9.986 18.273 -9.504 1.00 0.00 C ATOM 0 H VAL A 18 12.635 16.948 -7.932 1.00 0.00 H new ATOM 0 HA VAL A 18 9.904 15.806 -7.887 1.00 0.00 H new ATOM 0 HB VAL A 18 11.118 16.709 -10.417 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.677 16.607 -11.121 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.247 15.054 -10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.250 16.132 -9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.632 18.698 -10.443 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.215 18.385 -8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.889 18.795 -9.187 1.00 0.00 H new ATOM 307 N LEU A 19 10.999 13.698 -8.782 1.00 0.00 N ATOM 308 CA LEU A 19 11.630 12.417 -9.031 1.00 0.00 C ATOM 309 C LEU A 19 10.738 11.596 -9.955 1.00 0.00 C ATOM 310 O LEU A 19 9.554 11.900 -10.124 1.00 0.00 O ATOM 311 CB LEU A 19 11.986 11.640 -7.738 1.00 0.00 C ATOM 312 CG LEU A 19 11.698 12.216 -6.331 1.00 0.00 C ATOM 313 CD1 LEU A 19 12.051 11.154 -5.295 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.529 13.470 -6.014 1.00 0.00 C ATOM 0 H LEU A 19 9.996 13.628 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 19 12.588 12.606 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.472 10.680 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.055 11.432 -7.780 1.00 0.00 H new ATOM 0 HG LEU A 19 10.644 12.494 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.855 11.541 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.445 10.264 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.106 10.896 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.282 13.827 -5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.590 13.225 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.305 14.249 -6.743 1.00 0.00 H new ATOM 326 N MET A 20 11.310 10.537 -10.528 1.00 0.00 N ATOM 327 CA MET A 20 10.593 9.596 -11.362 1.00 0.00 C ATOM 328 C MET A 20 10.376 8.406 -10.445 1.00 0.00 C ATOM 329 O MET A 20 11.290 7.606 -10.212 1.00 0.00 O ATOM 330 CB MET A 20 11.389 9.292 -12.634 1.00 0.00 C ATOM 331 CG MET A 20 10.568 8.480 -13.640 1.00 0.00 C ATOM 332 SD MET A 20 11.394 8.194 -15.231 1.00 0.00 S ATOM 333 CE MET A 20 12.748 7.110 -14.710 1.00 0.00 C ATOM 0 H MET A 20 12.299 10.313 -10.419 1.00 0.00 H new ATOM 0 HA MET A 20 9.639 9.960 -11.744 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.707 10.227 -13.095 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.293 8.741 -12.374 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.322 7.516 -13.195 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.626 8.997 -13.822 1.00 0.00 H new ATOM 0 HE1 MET A 20 13.321 6.799 -15.583 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.399 7.647 -14.021 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.339 6.231 -14.212 1.00 0.00 H new ATOM 343 N LEU A 21 9.204 8.400 -9.816 1.00 0.00 N ATOM 344 CA LEU A 21 8.796 7.439 -8.816 1.00 0.00 C ATOM 345 C LEU A 21 8.266 6.242 -9.586 1.00 0.00 C ATOM 346 O LEU A 21 7.391 6.389 -10.435 1.00 0.00 O ATOM 347 CB LEU A 21 7.735 8.119 -7.937 1.00 0.00 C ATOM 348 CG LEU A 21 7.228 7.272 -6.758 1.00 0.00 C ATOM 349 CD1 LEU A 21 6.663 8.195 -5.673 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.105 6.322 -7.187 1.00 0.00 C ATOM 0 H LEU A 21 8.486 9.100 -10.004 1.00 0.00 H new ATOM 0 HA LEU A 21 9.595 7.102 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.150 9.048 -7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.885 8.389 -8.563 1.00 0.00 H new ATOM 0 HG LEU A 21 8.072 6.689 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.303 7.596 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.445 8.870 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.838 8.777 -6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.772 5.740 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.269 6.901 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.474 5.648 -7.960 1.00 0.00 H new ATOM 362 N CYS A 22 8.799 5.061 -9.318 1.00 0.00 N ATOM 363 CA CYS A 22 8.558 3.871 -10.114 1.00 0.00 C ATOM 364 C CYS A 22 8.236 2.704 -9.193 1.00 0.00 C ATOM 365 O CYS A 22 8.438 2.795 -7.987 1.00 0.00 O ATOM 366 CB CYS A 22 9.818 3.569 -10.937 1.00 0.00 C ATOM 367 SG CYS A 22 10.322 5.025 -11.902 1.00 0.00 S ATOM 0 H CYS A 22 9.422 4.901 -8.527 1.00 0.00 H new ATOM 0 HA CYS A 22 7.714 4.028 -10.786 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.628 3.269 -10.273 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.628 2.731 -11.607 1.00 0.00 H new ATOM 0 HG CYS A 22 10.761 5.948 -11.098 1.00 0.00 H new ATOM 373 N ASP A 23 7.733 1.607 -9.749 1.00 0.00 N ATOM 374 CA ASP A 23 7.624 0.329 -9.045 1.00 0.00 C ATOM 375 C ASP A 23 8.996 -0.027 -8.446 1.00 0.00 C ATOM 376 O ASP A 23 10.023 0.342 -9.023 1.00 0.00 O ATOM 377 CB ASP A 23 7.152 -0.733 -10.052 1.00 0.00 C ATOM 378 CG ASP A 23 7.682 -2.139 -9.739 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.115 -2.815 -8.852 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.664 -2.544 -10.397 1.00 0.00 O ATOM 0 H ASP A 23 7.386 1.577 -10.708 1.00 0.00 H new ATOM 0 HA ASP A 23 6.904 0.382 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.062 -0.756 -10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.474 -0.444 -11.053 1.00 0.00 H new ATOM 385 N ALA A 24 9.034 -0.734 -7.311 1.00 0.00 N ATOM 386 CA ALA A 24 10.257 -1.280 -6.718 1.00 0.00 C ATOM 387 C ALA A 24 10.860 -2.370 -7.627 1.00 0.00 C ATOM 388 O ALA A 24 10.737 -3.568 -7.356 1.00 0.00 O ATOM 389 CB ALA A 24 9.979 -1.776 -5.293 1.00 0.00 C ATOM 0 H ALA A 24 8.197 -0.946 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 24 11.006 -0.492 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.896 -2.180 -4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.626 -0.946 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.218 -2.555 -5.321 1.00 0.00 H new ATOM 395 N GLY A 25 11.481 -1.942 -8.728 1.00 0.00 N ATOM 396 CA GLY A 25 11.932 -2.788 -9.829 1.00 0.00 C ATOM 397 C GLY A 25 11.907 -2.061 -11.179 1.00 0.00 C ATOM 398 O GLY A 25 12.524 -2.524 -12.140 1.00 0.00 O ATOM 0 H GLY A 25 11.691 -0.956 -8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.945 -3.134 -9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.299 -3.673 -9.885 1.00 0.00 H new ATOM 402 N GLY A 26 11.225 -0.916 -11.251 1.00 0.00 N ATOM 403 CA GLY A 26 11.136 -0.055 -12.422 1.00 0.00 C ATOM 404 C GLY A 26 10.061 -0.480 -13.428 1.00 0.00 C ATOM 405 O GLY A 26 10.013 0.109 -14.510 1.00 0.00 O ATOM 0 H GLY A 26 10.698 -0.552 -10.457 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.931 0.965 -12.096 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.103 -0.041 -12.924 1.00 0.00 H new ATOM 409 N ALA A 27 9.218 -1.476 -13.123 1.00 0.00 N ATOM 410 CA ALA A 27 8.286 -2.058 -14.095 1.00 0.00 C ATOM 411 C ALA A 27 7.141 -1.112 -14.496 1.00 0.00 C ATOM 412 O ALA A 27 6.499 -1.326 -15.526 1.00 0.00 O ATOM 413 CB ALA A 27 7.707 -3.360 -13.528 1.00 0.00 C ATOM 0 H ALA A 27 9.164 -1.899 -12.197 1.00 0.00 H new ATOM 0 HA ALA A 27 8.858 -2.249 -15.003 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.014 -3.794 -14.249 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.516 -4.064 -13.333 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.178 -3.149 -12.598 1.00 0.00 H new ATOM 419 N ILE A 28 6.875 -0.083 -13.690 1.00 0.00 N ATOM 420 CA ILE A 28 5.848 0.941 -13.875 1.00 0.00 C ATOM 421 C ILE A 28 6.535 2.238 -13.445 1.00 0.00 C ATOM 422 O ILE A 28 7.359 2.199 -12.526 1.00 0.00 O ATOM 423 CB ILE A 28 4.598 0.627 -13.007 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.002 -0.761 -13.351 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.524 1.727 -13.154 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.772 -1.156 -12.525 1.00 0.00 C ATOM 0 H ILE A 28 7.408 0.066 -12.833 1.00 0.00 H new ATOM 0 HA ILE A 28 5.480 0.999 -14.899 1.00 0.00 H new ATOM 0 HB ILE A 28 4.925 0.605 -11.968 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.732 -0.773 -14.407 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.774 -1.517 -13.211 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.662 1.479 -12.535 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.937 2.684 -12.834 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.214 1.796 -14.197 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.426 -2.142 -12.836 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.037 -1.182 -11.468 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.978 -0.426 -12.683 1.00 0.00 H new ATOM 438 N LYS A 29 6.220 3.374 -14.077 1.00 0.00 N ATOM 439 CA LYS A 29 6.893 4.646 -13.815 1.00 0.00 C ATOM 440 C LYS A 29 5.880 5.787 -13.760 1.00 0.00 C ATOM 441 O LYS A 29 4.888 5.789 -14.490 1.00 0.00 O ATOM 442 CB LYS A 29 7.976 4.918 -14.876 1.00 0.00 C ATOM 443 CG LYS A 29 9.058 3.818 -14.928 1.00 0.00 C ATOM 444 CD LYS A 29 10.361 4.328 -15.562 1.00 0.00 C ATOM 445 CE LYS A 29 11.585 3.450 -15.238 1.00 0.00 C ATOM 446 NZ LYS A 29 11.510 2.104 -15.868 1.00 0.00 N ATOM 0 H LYS A 29 5.489 3.435 -14.786 1.00 0.00 H new ATOM 0 HA LYS A 29 7.384 4.583 -12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.505 5.003 -15.855 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.450 5.877 -14.666 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.261 3.460 -13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.685 2.968 -15.499 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.235 4.377 -16.644 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.551 5.344 -15.217 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.489 3.955 -15.577 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.670 3.336 -14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.468 1.710 -15.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.932 1.475 -15.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.078 2.185 -16.810 1.00 0.00 H new ATOM 460 N MET A 30 6.153 6.763 -12.900 1.00 0.00 N ATOM 461 CA MET A 30 5.348 7.938 -12.602 1.00 0.00 C ATOM 462 C MET A 30 6.311 9.109 -12.374 1.00 0.00 C ATOM 463 O MET A 30 7.523 8.917 -12.255 1.00 0.00 O ATOM 464 CB MET A 30 4.495 7.695 -11.338 1.00 0.00 C ATOM 465 CG MET A 30 3.426 6.611 -11.522 1.00 0.00 C ATOM 466 SD MET A 30 2.342 6.355 -10.088 1.00 0.00 S ATOM 467 CE MET A 30 1.417 7.917 -10.080 1.00 0.00 C ATOM 0 H MET A 30 7.012 6.750 -12.351 1.00 0.00 H new ATOM 0 HA MET A 30 4.668 8.155 -13.426 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.151 7.411 -10.515 1.00 0.00 H new ATOM 0 HB3 MET A 30 4.010 8.628 -11.052 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.810 6.871 -12.383 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.921 5.669 -11.757 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.570 7.835 -9.399 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.070 8.725 -9.751 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.054 8.130 -11.086 1.00 0.00 H new ATOM 477 N ILE A 31 5.777 10.322 -12.277 1.00 0.00 N ATOM 478 CA ILE A 31 6.504 11.515 -11.857 1.00 0.00 C ATOM 479 C ILE A 31 5.899 11.878 -10.505 1.00 0.00 C ATOM 480 O ILE A 31 4.678 11.792 -10.351 1.00 0.00 O ATOM 481 CB ILE A 31 6.347 12.644 -12.889 1.00 0.00 C ATOM 482 CG1 ILE A 31 6.896 12.225 -14.270 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.080 13.921 -12.438 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.091 12.914 -15.363 1.00 0.00 C ATOM 0 H ILE A 31 4.798 10.508 -12.495 1.00 0.00 H new ATOM 0 HA ILE A 31 7.578 11.349 -11.779 1.00 0.00 H new ATOM 0 HB ILE A 31 5.279 12.846 -12.969 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.949 12.495 -14.353 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.835 11.143 -14.385 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.950 14.700 -13.189 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.668 14.261 -11.488 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.142 13.708 -12.317 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.477 12.620 -16.339 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.044 12.621 -15.283 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.175 13.995 -15.250 1.00 0.00 H new ATOM 496 N ALA A 32 6.716 12.291 -9.537 1.00 0.00 N ATOM 497 CA ALA A 32 6.248 12.725 -8.231 1.00 0.00 C ATOM 498 C ALA A 32 7.026 13.970 -7.829 1.00 0.00 C ATOM 499 O ALA A 32 8.258 13.973 -7.868 1.00 0.00 O ATOM 500 CB ALA A 32 6.436 11.606 -7.203 1.00 0.00 C ATOM 0 H ALA A 32 7.730 12.332 -9.643 1.00 0.00 H new ATOM 0 HA ALA A 32 5.184 12.960 -8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.082 11.943 -6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.867 10.729 -7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.493 11.348 -7.135 1.00 0.00 H new ATOM 506 N GLU A 33 6.307 15.017 -7.443 1.00 0.00 N ATOM 507 CA GLU A 33 6.866 16.226 -6.869 1.00 0.00 C ATOM 508 C GLU A 33 6.821 16.055 -5.354 1.00 0.00 C ATOM 509 O GLU A 33 5.800 15.630 -4.798 1.00 0.00 O ATOM 510 CB GLU A 33 6.026 17.437 -7.308 1.00 0.00 C ATOM 511 CG GLU A 33 6.648 18.758 -6.852 1.00 0.00 C ATOM 512 CD GLU A 33 5.819 19.967 -7.302 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.864 20.331 -8.498 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.196 20.634 -6.449 1.00 0.00 O ATOM 0 H GLU A 33 5.291 15.045 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 33 7.890 16.395 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.929 17.437 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.020 17.349 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.735 18.762 -5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.658 18.841 -7.253 1.00 0.00 H new ATOM 521 N VAL A 34 7.919 16.387 -4.684 1.00 0.00 N ATOM 522 CA VAL A 34 8.081 16.161 -3.259 1.00 0.00 C ATOM 523 C VAL A 34 8.853 17.331 -2.647 1.00 0.00 C ATOM 524 O VAL A 34 9.536 18.081 -3.341 1.00 0.00 O ATOM 525 CB VAL A 34 8.778 14.800 -2.997 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.067 13.606 -3.660 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.249 14.772 -3.440 1.00 0.00 C ATOM 0 H VAL A 34 8.729 16.825 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 34 7.103 16.111 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 34 8.721 14.698 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.610 12.688 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.050 13.530 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.038 13.754 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.674 13.791 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.311 14.970 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.807 15.535 -2.897 1.00 0.00 H new ATOM 537 N LYS A 35 8.775 17.471 -1.332 1.00 0.00 N ATOM 538 CA LYS A 35 9.621 18.347 -0.534 1.00 0.00 C ATOM 539 C LYS A 35 10.505 17.427 0.296 1.00 0.00 C ATOM 540 O LYS A 35 10.224 16.229 0.390 1.00 0.00 O ATOM 541 CB LYS A 35 8.750 19.293 0.313 1.00 0.00 C ATOM 542 CG LYS A 35 9.253 20.736 0.188 1.00 0.00 C ATOM 543 CD LYS A 35 8.250 21.732 0.794 1.00 0.00 C ATOM 544 CE LYS A 35 8.724 23.177 0.574 1.00 0.00 C ATOM 545 NZ LYS A 35 7.754 24.178 1.088 1.00 0.00 N ATOM 0 H LYS A 35 8.095 16.958 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 35 10.247 19.002 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.712 19.233 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.773 18.982 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.215 20.833 0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.418 20.976 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.270 21.592 0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.137 21.539 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.685 23.320 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.885 23.345 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.120 25.136 0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.843 24.062 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.619 24.038 2.110 1.00 0.00 H new ATOM 559 N SER A 36 11.555 17.947 0.910 1.00 0.00 N ATOM 560 CA SER A 36 12.583 17.101 1.500 1.00 0.00 C ATOM 561 C SER A 36 13.219 17.773 2.710 1.00 0.00 C ATOM 562 O SER A 36 13.324 19.002 2.760 1.00 0.00 O ATOM 563 CB SER A 36 13.619 16.820 0.400 1.00 0.00 C ATOM 564 OG SER A 36 14.013 18.027 -0.239 1.00 0.00 O ATOM 0 H SER A 36 11.719 18.948 1.014 1.00 0.00 H new ATOM 0 HA SER A 36 12.154 16.167 1.863 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.491 16.330 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.199 16.134 -0.335 1.00 0.00 H new ATOM 0 HG SER A 36 14.146 17.862 -1.196 1.00 0.00 H new ATOM 570 N ASP A 37 13.701 16.954 3.645 1.00 0.00 N ATOM 571 CA ASP A 37 14.534 17.387 4.777 1.00 0.00 C ATOM 572 C ASP A 37 15.840 16.575 4.845 1.00 0.00 C ATOM 573 O ASP A 37 16.654 16.750 5.752 1.00 0.00 O ATOM 574 CB ASP A 37 13.720 17.295 6.076 1.00 0.00 C ATOM 575 CG ASP A 37 14.451 17.920 7.279 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.850 19.106 7.205 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.561 17.262 8.338 1.00 0.00 O ATOM 0 H ASP A 37 13.522 15.950 3.640 1.00 0.00 H new ATOM 0 HA ASP A 37 14.827 18.427 4.635 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.763 17.797 5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.503 16.249 6.291 1.00 0.00 H new ATOM 582 N PHE A 38 16.056 15.699 3.855 1.00 0.00 N ATOM 583 CA PHE A 38 17.208 14.822 3.687 1.00 0.00 C ATOM 584 C PHE A 38 17.453 14.697 2.179 1.00 0.00 C ATOM 585 O PHE A 38 16.529 14.913 1.386 1.00 0.00 O ATOM 586 CB PHE A 38 16.914 13.430 4.276 1.00 0.00 C ATOM 587 CG PHE A 38 16.429 13.409 5.715 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.063 13.612 5.996 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.331 13.186 6.773 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.601 13.600 7.323 1.00 0.00 C ATOM 591 CE2 PHE A 38 16.868 13.170 8.101 1.00 0.00 C ATOM 592 CZ PHE A 38 15.505 13.377 8.376 1.00 0.00 C ATOM 0 H PHE A 38 15.379 15.581 3.101 1.00 0.00 H new ATOM 0 HA PHE A 38 18.078 15.229 4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.164 12.944 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.821 12.829 4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.367 13.778 5.187 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.379 13.027 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.554 13.762 7.533 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.561 12.998 8.911 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.152 13.365 9.397 1.00 0.00 H new ATOM 602 N ALA A 39 18.674 14.336 1.773 1.00 0.00 N ATOM 603 CA ALA A 39 18.995 14.094 0.372 1.00 0.00 C ATOM 604 C ALA A 39 18.170 12.918 -0.169 1.00 0.00 C ATOM 605 O ALA A 39 17.909 11.953 0.553 1.00 0.00 O ATOM 606 CB ALA A 39 20.496 13.820 0.220 1.00 0.00 C ATOM 0 H ALA A 39 19.462 14.205 2.407 1.00 0.00 H new ATOM 0 HA ALA A 39 18.743 14.981 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.729 13.640 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.061 14.682 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.767 12.943 0.807 1.00 0.00 H new ATOM 612 N VAL A 40 17.825 12.969 -1.456 1.00 0.00 N ATOM 613 CA VAL A 40 17.132 11.907 -2.180 1.00 0.00 C ATOM 614 C VAL A 40 17.680 11.916 -3.612 1.00 0.00 C ATOM 615 O VAL A 40 17.948 12.988 -4.167 1.00 0.00 O ATOM 616 CB VAL A 40 15.600 12.099 -2.073 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.093 13.464 -2.575 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.840 10.979 -2.796 1.00 0.00 C ATOM 0 H VAL A 40 18.028 13.779 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 40 17.314 10.920 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 40 15.396 12.059 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.010 13.513 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.554 14.261 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.356 13.586 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.767 11.146 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.114 10.976 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.098 10.018 -2.351 1.00 0.00 H new ATOM 628 N LYS A 41 17.915 10.736 -4.186 1.00 0.00 N ATOM 629 CA LYS A 41 18.611 10.556 -5.458 1.00 0.00 C ATOM 630 C LYS A 41 18.218 9.222 -6.092 1.00 0.00 C ATOM 631 O LYS A 41 17.470 8.440 -5.510 1.00 0.00 O ATOM 632 CB LYS A 41 20.140 10.746 -5.284 1.00 0.00 C ATOM 633 CG LYS A 41 20.789 10.137 -4.026 1.00 0.00 C ATOM 634 CD LYS A 41 20.692 8.608 -3.972 1.00 0.00 C ATOM 635 CE LYS A 41 21.204 8.041 -2.642 1.00 0.00 C ATOM 636 NZ LYS A 41 20.296 8.361 -1.512 1.00 0.00 N ATOM 0 H LYS A 41 17.618 9.855 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 41 18.299 11.330 -6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.634 10.321 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.350 11.816 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.839 10.429 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.311 10.556 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.655 8.306 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.267 8.180 -4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.310 6.959 -2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.196 8.443 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.843 8.404 -0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.840 9.280 -1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.568 7.623 -1.432 1.00 0.00 H new ATOM 650 N VAL A 42 18.702 8.968 -7.303 1.00 0.00 N ATOM 651 CA VAL A 42 18.456 7.731 -8.032 1.00 0.00 C ATOM 652 C VAL A 42 18.889 6.502 -7.227 1.00 0.00 C ATOM 653 O VAL A 42 19.861 6.539 -6.467 1.00 0.00 O ATOM 654 CB VAL A 42 19.145 7.804 -9.408 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.874 6.542 -10.237 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.613 9.029 -10.158 1.00 0.00 C ATOM 0 H VAL A 42 19.287 9.629 -7.814 1.00 0.00 H new ATOM 0 HA VAL A 42 17.383 7.619 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 42 20.222 7.882 -9.256 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.374 6.626 -11.202 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.254 5.669 -9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.801 6.433 -10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.092 9.094 -11.135 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.535 8.936 -10.288 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.833 9.930 -9.585 1.00 0.00 H new ATOM 666 N GLY A 43 18.175 5.398 -7.451 1.00 0.00 N ATOM 667 CA GLY A 43 18.365 4.144 -6.759 1.00 0.00 C ATOM 668 C GLY A 43 17.870 4.256 -5.323 1.00 0.00 C ATOM 669 O GLY A 43 18.441 3.589 -4.457 1.00 0.00 O ATOM 0 H GLY A 43 17.427 5.362 -8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.827 3.350 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.420 3.872 -6.767 1.00 0.00 H new ATOM 673 N ASP A 44 16.856 5.094 -5.050 1.00 0.00 N ATOM 674 CA ASP A 44 16.360 5.220 -3.659 1.00 0.00 C ATOM 675 C ASP A 44 15.026 4.516 -3.560 1.00 0.00 C ATOM 676 O ASP A 44 14.200 4.654 -4.456 1.00 0.00 O ATOM 677 CB ASP A 44 16.165 6.661 -3.143 1.00 0.00 C ATOM 678 CG ASP A 44 17.396 7.283 -2.478 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.198 6.546 -1.867 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.553 8.523 -2.460 1.00 0.00 O ATOM 0 H ASP A 44 16.377 5.675 -5.738 1.00 0.00 H new ATOM 0 HA ASP A 44 17.138 4.778 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.864 7.293 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.343 6.666 -2.428 1.00 0.00 H new ATOM 685 N LEU A 45 14.774 3.802 -2.464 1.00 0.00 N ATOM 686 CA LEU A 45 13.438 3.284 -2.203 1.00 0.00 C ATOM 687 C LEU A 45 12.585 4.420 -1.637 1.00 0.00 C ATOM 688 O LEU A 45 13.114 5.294 -0.946 1.00 0.00 O ATOM 689 CB LEU A 45 13.514 2.149 -1.173 1.00 0.00 C ATOM 690 CG LEU A 45 12.252 1.265 -1.115 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.274 0.196 -2.214 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.162 0.605 0.262 1.00 0.00 C ATOM 0 H LEU A 45 15.469 3.573 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 45 13.001 2.900 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.374 1.521 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.689 2.579 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 45 11.377 1.893 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.372 -0.412 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.316 0.679 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.150 -0.440 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.271 -0.021 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.046 -0.010 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.104 1.375 1.031 1.00 0.00 H new ATOM 704 N LEU A 46 11.272 4.359 -1.854 1.00 0.00 N ATOM 705 CA LEU A 46 10.275 5.188 -1.197 1.00 0.00 C ATOM 706 C LEU A 46 9.211 4.238 -0.673 1.00 0.00 C ATOM 707 O LEU A 46 8.660 3.446 -1.438 1.00 0.00 O ATOM 708 CB LEU A 46 9.621 6.211 -2.145 1.00 0.00 C ATOM 709 CG LEU A 46 10.568 7.232 -2.781 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.787 8.135 -3.746 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.257 8.117 -1.739 1.00 0.00 C ATOM 0 H LEU A 46 10.862 3.703 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 46 10.754 5.768 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.115 5.667 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.853 6.752 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 46 11.335 6.667 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.466 8.860 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.335 7.526 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.005 8.661 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.918 8.824 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.504 8.664 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.840 7.494 -1.061 1.00 0.00 H new ATOM 723 N SER A 47 8.890 4.358 0.609 1.00 0.00 N ATOM 724 CA SER A 47 7.845 3.565 1.261 1.00 0.00 C ATOM 725 C SER A 47 6.955 4.502 2.077 1.00 0.00 C ATOM 726 O SER A 47 7.494 5.390 2.740 1.00 0.00 O ATOM 727 CB SER A 47 8.478 2.508 2.171 1.00 0.00 C ATOM 728 OG SER A 47 9.377 1.698 1.442 1.00 0.00 O ATOM 0 H SER A 47 9.352 5.016 1.237 1.00 0.00 H new ATOM 0 HA SER A 47 7.245 3.053 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.003 2.995 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.699 1.888 2.614 1.00 0.00 H new ATOM 0 HG SER A 47 9.773 1.030 2.039 1.00 0.00 H new ATOM 734 N PRO A 48 5.621 4.358 2.040 1.00 0.00 N ATOM 735 CA PRO A 48 4.725 5.306 2.684 1.00 0.00 C ATOM 736 C PRO A 48 4.811 5.233 4.208 1.00 0.00 C ATOM 737 O PRO A 48 5.072 4.180 4.798 1.00 0.00 O ATOM 738 CB PRO A 48 3.319 4.953 2.184 1.00 0.00 C ATOM 739 CG PRO A 48 3.424 3.474 1.817 1.00 0.00 C ATOM 740 CD PRO A 48 4.867 3.333 1.335 1.00 0.00 C ATOM 0 HA PRO A 48 4.995 6.332 2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.566 5.122 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.036 5.560 1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.222 2.832 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.711 3.201 1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.258 2.339 1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.934 3.471 0.256 1.00 0.00 H new ATOM 748 N LEU A 49 4.505 6.369 4.830 1.00 0.00 N ATOM 749 CA LEU A 49 4.306 6.532 6.270 1.00 0.00 C ATOM 750 C LEU A 49 2.897 7.078 6.502 1.00 0.00 C ATOM 751 O LEU A 49 2.209 6.658 7.434 1.00 0.00 O ATOM 752 CB LEU A 49 5.353 7.511 6.828 1.00 0.00 C ATOM 753 CG LEU A 49 6.798 6.985 6.757 1.00 0.00 C ATOM 754 CD1 LEU A 49 7.770 8.125 7.070 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.026 5.828 7.738 1.00 0.00 C ATOM 0 H LEU A 49 4.383 7.244 4.320 1.00 0.00 H new ATOM 0 HA LEU A 49 4.420 5.575 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.290 8.449 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.109 7.736 7.866 1.00 0.00 H new ATOM 0 HG LEU A 49 6.973 6.609 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.794 7.754 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.638 8.926 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.571 8.508 8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.057 5.482 7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.834 6.170 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.349 5.008 7.497 1.00 0.00 H new ATOM 767 N GLN A 50 2.460 7.973 5.618 1.00 0.00 N ATOM 768 CA GLN A 50 1.100 8.475 5.465 1.00 0.00 C ATOM 769 C GLN A 50 0.979 8.947 4.008 1.00 0.00 C ATOM 770 O GLN A 50 1.966 8.916 3.269 1.00 0.00 O ATOM 771 CB GLN A 50 0.798 9.592 6.490 1.00 0.00 C ATOM 772 CG GLN A 50 1.866 10.697 6.558 1.00 0.00 C ATOM 773 CD GLN A 50 1.403 11.931 7.338 1.00 0.00 C ATOM 774 OE1 GLN A 50 0.765 11.839 8.384 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.712 13.119 6.840 1.00 0.00 N ATOM 0 H GLN A 50 3.096 8.396 4.941 1.00 0.00 H new ATOM 0 HA GLN A 50 0.358 7.703 5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.162 10.046 6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.693 9.143 7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.766 10.296 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.137 10.995 5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.242 13.186 5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.420 13.967 7.326 1.00 0.00 H new ATOM 784 N ASN A 51 -0.197 9.426 3.589 1.00 0.00 N ATOM 785 CA ASN A 51 -0.447 9.864 2.208 1.00 0.00 C ATOM 786 C ASN A 51 0.595 10.867 1.691 1.00 0.00 C ATOM 787 O ASN A 51 0.911 10.863 0.502 1.00 0.00 O ATOM 788 CB ASN A 51 -1.849 10.483 2.107 1.00 0.00 C ATOM 789 CG ASN A 51 -2.121 11.013 0.699 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.428 10.251 -0.213 1.00 0.00 O ATOM 791 ND2 ASN A 51 -2.013 12.316 0.487 1.00 0.00 N ATOM 0 H ASN A 51 -1.008 9.522 4.200 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.372 8.977 1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.599 9.736 2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.943 11.295 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.186 12.697 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.757 12.938 1.254 1.00 0.00 H new ATOM 798 N ALA A 52 1.132 11.715 2.578 1.00 0.00 N ATOM 799 CA ALA A 52 1.983 12.834 2.245 1.00 0.00 C ATOM 800 C ALA A 52 3.394 12.704 2.835 1.00 0.00 C ATOM 801 O ALA A 52 4.135 13.671 2.742 1.00 0.00 O ATOM 802 CB ALA A 52 1.298 14.137 2.686 1.00 0.00 C ATOM 0 H ALA A 52 0.971 11.626 3.581 1.00 0.00 H new ATOM 0 HA ALA A 52 2.121 12.848 1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.936 14.985 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.342 14.238 2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.129 14.113 3.763 1.00 0.00 H new ATOM 808 N LEU A 53 3.807 11.569 3.417 1.00 0.00 N ATOM 809 CA LEU A 53 5.195 11.345 3.832 1.00 0.00 C ATOM 810 C LEU A 53 5.610 9.950 3.415 1.00 0.00 C ATOM 811 O LEU A 53 4.885 8.987 3.674 1.00 0.00 O ATOM 812 CB LEU A 53 5.417 11.452 5.353 1.00 0.00 C ATOM 813 CG LEU A 53 5.482 12.880 5.925 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.391 12.824 7.455 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.786 13.593 5.550 1.00 0.00 C ATOM 0 H LEU A 53 3.187 10.783 3.612 1.00 0.00 H new ATOM 0 HA LEU A 53 5.786 12.126 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.612 10.916 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.346 10.939 5.602 1.00 0.00 H new ATOM 0 HG LEU A 53 4.647 13.436 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.437 13.835 7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.449 12.359 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.222 12.238 7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.787 14.597 5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.634 13.032 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.866 13.659 4.465 1.00 0.00 H new ATOM 827 N TYR A 54 6.799 9.846 2.831 1.00 0.00 N ATOM 828 CA TYR A 54 7.410 8.587 2.448 1.00 0.00 C ATOM 829 C TYR A 54 8.848 8.600 2.967 1.00 0.00 C ATOM 830 O TYR A 54 9.505 9.644 2.988 1.00 0.00 O ATOM 831 CB TYR A 54 7.375 8.395 0.917 1.00 0.00 C ATOM 832 CG TYR A 54 6.055 7.926 0.309 1.00 0.00 C ATOM 833 CD1 TYR A 54 4.891 8.713 0.409 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.001 6.716 -0.413 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.686 8.297 -0.183 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.804 6.297 -1.022 1.00 0.00 C ATOM 837 CZ TYR A 54 3.638 7.089 -0.911 1.00 0.00 C ATOM 838 OH TYR A 54 2.467 6.701 -1.492 1.00 0.00 O ATOM 0 H TYR A 54 7.375 10.657 2.607 1.00 0.00 H new ATOM 0 HA TYR A 54 6.858 7.752 2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.646 9.342 0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.147 7.674 0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.925 9.648 0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.887 6.105 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.797 8.902 -0.081 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.776 5.370 -1.575 1.00 0.00 H new ATOM 0 HH TYR A 54 2.599 5.849 -1.957 1.00 0.00 H new ATOM 848 N CYS A 55 9.313 7.429 3.390 1.00 0.00 N ATOM 849 CA CYS A 55 10.702 7.133 3.725 1.00 0.00 C ATOM 850 C CYS A 55 11.596 7.360 2.498 1.00 0.00 C ATOM 851 O CYS A 55 11.097 7.311 1.373 1.00 0.00 O ATOM 852 CB CYS A 55 10.837 5.656 4.139 1.00 0.00 C ATOM 853 SG CYS A 55 9.486 5.083 5.213 1.00 0.00 S ATOM 0 H CYS A 55 8.702 6.622 3.515 1.00 0.00 H new ATOM 0 HA CYS A 55 11.005 7.787 4.542 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.867 5.036 3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.787 5.516 4.656 1.00 0.00 H new ATOM 0 HG CYS A 55 8.394 4.976 4.516 1.00 0.00 H new ATOM 859 N ILE A 56 12.910 7.473 2.694 1.00 0.00 N ATOM 860 CA ILE A 56 13.907 7.490 1.626 1.00 0.00 C ATOM 861 C ILE A 56 14.868 6.316 1.844 1.00 0.00 C ATOM 862 O ILE A 56 15.123 5.883 2.971 1.00 0.00 O ATOM 863 CB ILE A 56 14.692 8.831 1.607 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.782 10.082 1.530 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.704 8.887 0.433 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.499 11.314 2.090 1.00 0.00 C ATOM 0 H ILE A 56 13.320 7.557 3.624 1.00 0.00 H new ATOM 0 HA ILE A 56 13.404 7.395 0.664 1.00 0.00 H new ATOM 0 HB ILE A 56 15.220 8.854 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.493 10.264 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.864 9.904 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.233 9.840 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.421 8.072 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.170 8.789 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.840 12.180 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.765 11.138 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.404 11.503 1.512 1.00 0.00 H new ATOM 878 N ASN A 57 15.465 5.870 0.741 1.00 0.00 N ATOM 879 CA ASN A 57 16.592 4.955 0.636 1.00 0.00 C ATOM 880 C ASN A 57 16.271 3.544 1.086 1.00 0.00 C ATOM 881 O ASN A 57 16.151 2.669 0.234 1.00 0.00 O ATOM 882 CB ASN A 57 17.841 5.493 1.364 1.00 0.00 C ATOM 883 CG ASN A 57 19.045 4.640 0.995 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.544 3.834 1.777 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.495 4.783 -0.234 1.00 0.00 N ATOM 0 H ASN A 57 15.142 6.167 -0.180 1.00 0.00 H new ATOM 0 HA ASN A 57 16.815 4.896 -0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.018 6.532 1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.684 5.474 2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.278 4.216 -0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.060 5.460 -0.861 1.00 0.00 H new ATOM 892 N ARG A 58 16.163 3.341 2.399 1.00 0.00 N ATOM 893 CA ARG A 58 16.001 2.076 3.095 1.00 0.00 C ATOM 894 C ARG A 58 15.475 2.300 4.521 1.00 0.00 C ATOM 895 O ARG A 58 15.264 1.311 5.225 1.00 0.00 O ATOM 896 CB ARG A 58 17.367 1.354 3.223 1.00 0.00 C ATOM 897 CG ARG A 58 18.017 0.844 1.929 1.00 0.00 C ATOM 898 CD ARG A 58 19.352 0.170 2.261 1.00 0.00 C ATOM 899 NE ARG A 58 20.077 -0.252 1.051 1.00 0.00 N ATOM 900 CZ ARG A 58 20.978 0.474 0.375 1.00 0.00 C ATOM 901 NH1 ARG A 58 21.194 1.756 0.669 1.00 0.00 N ATOM 902 NH2 ARG A 58 21.672 -0.097 -0.605 1.00 0.00 N ATOM 0 H ARG A 58 16.189 4.125 3.051 1.00 0.00 H new ATOM 0 HA ARG A 58 15.295 1.478 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 58 18.066 2.037 3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 58 17.238 0.504 3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.354 0.137 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 58 18.177 1.672 1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.973 0.859 2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.171 -0.698 2.896 1.00 0.00 H new ATOM 0 HE ARG A 58 19.874 -1.185 0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.669 2.202 1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 58 21.884 2.291 0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 58 21.516 -1.078 -0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 58 22.360 0.446 -1.126 1.00 0.00 H new ATOM 916 N GLU A 59 15.290 3.543 4.989 1.00 0.00 N ATOM 917 CA GLU A 59 15.068 3.812 6.409 1.00 0.00 C ATOM 918 C GLU A 59 14.002 4.882 6.627 1.00 0.00 C ATOM 919 O GLU A 59 13.903 5.860 5.886 1.00 0.00 O ATOM 920 CB GLU A 59 16.408 4.169 7.078 1.00 0.00 C ATOM 921 CG GLU A 59 17.050 5.486 6.598 1.00 0.00 C ATOM 922 CD GLU A 59 18.562 5.518 6.894 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.963 5.547 8.078 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.367 5.498 5.936 1.00 0.00 O ATOM 0 H GLU A 59 15.291 4.376 4.400 1.00 0.00 H new ATOM 0 HA GLU A 59 14.679 2.911 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.253 4.230 8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.112 3.355 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.885 5.603 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.564 6.329 7.089 1.00 0.00 H new ATOM 931 N LYS A 60 13.194 4.674 7.668 1.00 0.00 N ATOM 932 CA LYS A 60 11.979 5.448 7.919 1.00 0.00 C ATOM 933 C LYS A 60 12.264 6.882 8.348 1.00 0.00 C ATOM 934 O LYS A 60 11.455 7.764 8.074 1.00 0.00 O ATOM 935 CB LYS A 60 11.100 4.757 8.977 1.00 0.00 C ATOM 936 CG LYS A 60 10.613 3.365 8.534 1.00 0.00 C ATOM 937 CD LYS A 60 9.577 2.757 9.493 1.00 0.00 C ATOM 938 CE LYS A 60 10.163 2.480 10.887 1.00 0.00 C ATOM 939 NZ LYS A 60 9.176 1.838 11.792 1.00 0.00 N ATOM 0 H LYS A 60 13.368 3.954 8.369 1.00 0.00 H new ATOM 0 HA LYS A 60 11.446 5.492 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.664 4.661 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.237 5.387 9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.178 3.439 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.469 2.694 8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.729 3.436 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.196 1.827 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.037 1.836 10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.504 3.416 11.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.614 1.670 12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.352 2.462 11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.870 0.932 11.384 1.00 0.00 H new ATOM 953 N LEU A 61 13.375 7.114 9.053 1.00 0.00 N ATOM 954 CA LEU A 61 13.663 8.409 9.658 1.00 0.00 C ATOM 955 C LEU A 61 13.983 9.485 8.619 1.00 0.00 C ATOM 956 O LEU A 61 13.739 10.662 8.874 1.00 0.00 O ATOM 957 CB LEU A 61 14.760 8.330 10.733 1.00 0.00 C ATOM 958 CG LEU A 61 16.123 7.789 10.261 1.00 0.00 C ATOM 959 CD1 LEU A 61 17.271 8.510 10.975 1.00 0.00 C ATOM 960 CD2 LEU A 61 16.253 6.282 10.519 1.00 0.00 C ATOM 0 H LEU A 61 14.095 6.410 9.218 1.00 0.00 H new ATOM 0 HA LEU A 61 12.743 8.709 10.160 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.910 9.327 11.147 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.401 7.698 11.546 1.00 0.00 H new ATOM 0 HG LEU A 61 16.181 7.972 9.188 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.224 8.112 10.626 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.222 9.577 10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.185 8.355 12.050 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.227 5.936 10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.157 6.086 11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.468 5.752 9.981 1.00 0.00 H new ATOM 972 N HIS A 62 14.522 9.096 7.464 1.00 0.00 N ATOM 973 CA HIS A 62 14.796 10.009 6.362 1.00 0.00 C ATOM 974 C HIS A 62 13.527 10.087 5.518 1.00 0.00 C ATOM 975 O HIS A 62 13.075 9.053 5.027 1.00 0.00 O ATOM 976 CB HIS A 62 15.980 9.485 5.530 1.00 0.00 C ATOM 977 CG HIS A 62 17.306 9.396 6.253 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.465 8.865 5.733 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.606 9.837 7.517 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.433 8.979 6.658 1.00 0.00 C ATOM 981 NE2 HIS A 62 18.957 9.569 7.770 1.00 0.00 N ATOM 0 H HIS A 62 14.782 8.129 7.268 1.00 0.00 H new ATOM 0 HA HIS A 62 15.067 11.000 6.727 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.725 8.494 5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.104 10.132 4.662 1.00 0.00 H new ATOM 0 HD2 HIS A 62 16.917 10.310 8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.451 8.644 6.527 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.475 9.778 8.623 1.00 0.00 H new ATOM 989 N THR A 63 12.945 11.275 5.337 1.00 0.00 N ATOM 990 CA THR A 63 11.628 11.419 4.734 1.00 0.00 C ATOM 991 C THR A 63 11.576 12.504 3.656 1.00 0.00 C ATOM 992 O THR A 63 12.312 13.498 3.690 1.00 0.00 O ATOM 993 CB THR A 63 10.616 11.731 5.852 1.00 0.00 C ATOM 994 OG1 THR A 63 11.087 12.794 6.666 1.00 0.00 O ATOM 995 CG2 THR A 63 10.403 10.518 6.753 1.00 0.00 C ATOM 0 H THR A 63 13.377 12.159 5.605 1.00 0.00 H new ATOM 0 HA THR A 63 11.382 10.483 4.232 1.00 0.00 H new ATOM 0 HB THR A 63 9.678 12.005 5.369 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.432 12.981 7.371 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.684 10.766 7.534 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.022 9.687 6.160 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.351 10.233 7.210 1.00 0.00 H new ATOM 1003 N VAL A 64 10.651 12.318 2.716 1.00 0.00 N ATOM 1004 CA VAL A 64 10.218 13.303 1.738 1.00 0.00 C ATOM 1005 C VAL A 64 8.729 13.528 1.985 1.00 0.00 C ATOM 1006 O VAL A 64 8.015 12.590 2.361 1.00 0.00 O ATOM 1007 CB VAL A 64 10.452 12.830 0.288 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.838 13.232 -0.213 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.220 11.329 0.055 1.00 0.00 C ATOM 0 H VAL A 64 10.161 11.429 2.614 1.00 0.00 H new ATOM 0 HA VAL A 64 10.795 14.220 1.853 1.00 0.00 H new ATOM 0 HB VAL A 64 9.687 13.345 -0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.970 12.883 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.935 14.317 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.600 12.783 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.408 11.090 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.897 10.754 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.189 11.077 0.305 1.00 0.00 H new ATOM 1019 N LYS A 65 8.254 14.754 1.757 1.00 0.00 N ATOM 1020 CA LYS A 65 6.834 15.081 1.859 1.00 0.00 C ATOM 1021 C LYS A 65 6.274 15.054 0.447 1.00 0.00 C ATOM 1022 O LYS A 65 6.832 15.727 -0.414 1.00 0.00 O ATOM 1023 CB LYS A 65 6.645 16.448 2.536 1.00 0.00 C ATOM 1024 CG LYS A 65 5.205 16.628 3.044 1.00 0.00 C ATOM 1025 CD LYS A 65 4.964 17.951 3.783 1.00 0.00 C ATOM 1026 CE LYS A 65 5.035 19.173 2.857 1.00 0.00 C ATOM 1027 NZ LYS A 65 4.696 20.430 3.573 1.00 0.00 N ATOM 0 H LYS A 65 8.843 15.545 1.497 1.00 0.00 H new ATOM 0 HA LYS A 65 6.300 14.361 2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.341 16.542 3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.885 17.242 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.522 16.567 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.960 15.801 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.985 17.921 4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.704 18.059 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.038 19.253 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.350 19.035 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.755 21.232 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.730 20.364 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.365 20.575 4.356 1.00 0.00 H new ATOM 1041 N VAL A 66 5.232 14.280 0.169 1.00 0.00 N ATOM 1042 CA VAL A 66 4.709 14.196 -1.197 1.00 0.00 C ATOM 1043 C VAL A 66 3.789 15.397 -1.419 1.00 0.00 C ATOM 1044 O VAL A 66 3.044 15.783 -0.514 1.00 0.00 O ATOM 1045 CB VAL A 66 4.035 12.835 -1.458 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.493 12.729 -2.894 1.00 0.00 C ATOM 1047 CG2 VAL A 66 5.051 11.700 -1.250 1.00 0.00 C ATOM 0 H VAL A 66 4.737 13.709 0.854 1.00 0.00 H new ATOM 0 HA VAL A 66 5.516 14.244 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 66 3.204 12.750 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.026 11.754 -3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.755 13.513 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.314 12.844 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.568 10.741 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.885 11.827 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.422 11.727 -0.225 1.00 0.00 H new ATOM 1057 N LEU A 67 3.845 15.984 -2.620 1.00 0.00 N ATOM 1058 CA LEU A 67 3.124 17.208 -2.956 1.00 0.00 C ATOM 1059 C LEU A 67 2.151 16.962 -4.107 1.00 0.00 C ATOM 1060 O LEU A 67 1.044 17.499 -4.083 1.00 0.00 O ATOM 1061 CB LEU A 67 4.121 18.320 -3.332 1.00 0.00 C ATOM 1062 CG LEU A 67 5.143 18.676 -2.234 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.147 19.682 -2.795 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.485 19.254 -0.975 1.00 0.00 C ATOM 0 H LEU A 67 4.400 15.615 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 67 2.551 17.523 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.663 18.014 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.560 19.218 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 67 5.642 17.753 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.874 19.939 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.663 19.243 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.621 20.582 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.253 19.486 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.943 20.164 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.791 18.524 -0.559 1.00 0.00 H new ATOM 1076 N SER A 68 2.527 16.149 -5.099 1.00 0.00 N ATOM 1077 CA SER A 68 1.684 15.705 -6.210 1.00 0.00 C ATOM 1078 C SER A 68 2.394 14.540 -6.904 1.00 0.00 C ATOM 1079 O SER A 68 3.615 14.419 -6.795 1.00 0.00 O ATOM 1080 CB SER A 68 1.495 16.848 -7.226 1.00 0.00 C ATOM 1081 OG SER A 68 0.671 17.878 -6.710 1.00 0.00 O ATOM 0 H SER A 68 3.471 15.766 -5.150 1.00 0.00 H new ATOM 0 HA SER A 68 0.707 15.402 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.468 17.260 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.053 16.452 -8.140 1.00 0.00 H new ATOM 0 HG SER A 68 0.433 17.672 -5.782 1.00 0.00 H new ATOM 1087 N ALA A 69 1.664 13.706 -7.649 1.00 0.00 N ATOM 1088 CA ALA A 69 2.245 12.704 -8.531 1.00 0.00 C ATOM 1089 C ALA A 69 1.273 12.391 -9.669 1.00 0.00 C ATOM 1090 O ALA A 69 0.058 12.555 -9.511 1.00 0.00 O ATOM 1091 CB ALA A 69 2.592 11.432 -7.746 1.00 0.00 C ATOM 0 H ALA A 69 0.644 13.712 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 69 3.168 13.098 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.025 10.694 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.311 11.673 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.687 11.024 -7.295 1.00 0.00 H new ATOM 1097 N SER A 70 1.812 11.923 -10.795 1.00 0.00 N ATOM 1098 CA SER A 70 1.079 11.657 -12.032 1.00 0.00 C ATOM 1099 C SER A 70 1.770 10.532 -12.808 1.00 0.00 C ATOM 1100 O SER A 70 2.958 10.281 -12.602 1.00 0.00 O ATOM 1101 CB SER A 70 1.061 12.928 -12.903 1.00 0.00 C ATOM 1102 OG SER A 70 0.595 14.072 -12.199 1.00 0.00 O ATOM 0 H SER A 70 2.807 11.711 -10.873 1.00 0.00 H new ATOM 0 HA SER A 70 0.059 11.362 -11.787 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.067 13.121 -13.276 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.426 12.758 -13.772 1.00 0.00 H new ATOM 0 HG SER A 70 0.605 14.850 -12.795 1.00 0.00 H new ATOM 1108 N SER A 71 1.058 9.877 -13.727 1.00 0.00 N ATOM 1109 CA SER A 71 1.647 8.938 -14.678 1.00 0.00 C ATOM 1110 C SER A 71 2.774 9.628 -15.464 1.00 0.00 C ATOM 1111 O SER A 71 2.687 10.827 -15.749 1.00 0.00 O ATOM 1112 CB SER A 71 0.553 8.420 -15.622 1.00 0.00 C ATOM 1113 OG SER A 71 -0.572 7.965 -14.881 1.00 0.00 O ATOM 0 H SER A 71 0.049 9.985 -13.831 1.00 0.00 H new ATOM 0 HA SER A 71 2.077 8.091 -14.144 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.249 9.213 -16.305 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.946 7.607 -16.232 1.00 0.00 H new ATOM 0 HG SER A 71 -1.260 7.640 -15.498 1.00 0.00 H new ATOM 1119 N TYR A 72 3.838 8.889 -15.800 1.00 0.00 N ATOM 1120 CA TYR A 72 4.985 9.472 -16.487 1.00 0.00 C ATOM 1121 C TYR A 72 4.585 9.948 -17.884 1.00 0.00 C ATOM 1122 O TYR A 72 3.804 9.291 -18.578 1.00 0.00 O ATOM 1123 CB TYR A 72 6.142 8.466 -16.575 1.00 0.00 C ATOM 1124 CG TYR A 72 7.359 9.010 -17.305 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.334 9.744 -16.603 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.489 8.837 -18.698 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.420 10.316 -17.286 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.573 9.408 -19.390 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.545 10.156 -18.684 1.00 0.00 C ATOM 1130 OH TYR A 72 10.606 10.712 -19.335 1.00 0.00 O ATOM 0 H TYR A 72 3.924 7.891 -15.606 1.00 0.00 H new ATOM 0 HA TYR A 72 5.325 10.331 -15.909 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.434 8.170 -15.567 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.794 7.567 -17.083 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.246 9.868 -15.534 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.751 8.262 -19.238 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.162 10.880 -16.740 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.663 9.276 -20.458 1.00 0.00 H new ATOM 0 HH TYR A 72 11.134 11.245 -18.704 1.00 0.00 H new ATOM 1140 N SER A 73 5.146 11.078 -18.311 1.00 0.00 N ATOM 1141 CA SER A 73 5.111 11.566 -19.681 1.00 0.00 C ATOM 1142 C SER A 73 6.328 12.485 -19.852 1.00 0.00 C ATOM 1143 O SER A 73 6.647 13.214 -18.912 1.00 0.00 O ATOM 1144 CB SER A 73 3.797 12.314 -19.930 1.00 0.00 C ATOM 1145 OG SER A 73 2.707 11.410 -19.972 1.00 0.00 O ATOM 0 H SER A 73 5.656 11.700 -17.684 1.00 0.00 H new ATOM 0 HA SER A 73 5.155 10.752 -20.404 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.636 13.049 -19.142 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.857 12.863 -20.870 1.00 0.00 H new ATOM 0 HG SER A 73 2.985 10.545 -19.606 1.00 0.00 H new ATOM 1151 N PRO A 74 7.020 12.475 -21.006 1.00 0.00 N ATOM 1152 CA PRO A 74 8.305 13.153 -21.149 1.00 0.00 C ATOM 1153 C PRO A 74 8.180 14.670 -21.004 1.00 0.00 C ATOM 1154 O PRO A 74 8.920 15.278 -20.232 1.00 0.00 O ATOM 1155 CB PRO A 74 8.838 12.753 -22.530 1.00 0.00 C ATOM 1156 CG PRO A 74 7.613 12.250 -23.294 1.00 0.00 C ATOM 1157 CD PRO A 74 6.703 11.704 -22.198 1.00 0.00 C ATOM 0 HA PRO A 74 8.992 12.855 -20.357 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.299 13.601 -23.037 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.600 11.977 -22.450 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.131 13.053 -23.852 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.880 11.477 -24.015 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.653 11.815 -22.469 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.880 10.641 -22.036 1.00 0.00 H new ATOM 1165 N ASP A 75 7.226 15.283 -21.709 1.00 0.00 N ATOM 1166 CA ASP A 75 6.978 16.723 -21.630 1.00 0.00 C ATOM 1167 C ASP A 75 6.599 17.137 -20.206 1.00 0.00 C ATOM 1168 O ASP A 75 7.074 18.152 -19.699 1.00 0.00 O ATOM 1169 CB ASP A 75 5.859 17.110 -22.603 1.00 0.00 C ATOM 1170 CG ASP A 75 5.449 18.580 -22.426 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.150 19.472 -22.956 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.407 18.837 -21.784 1.00 0.00 O ATOM 0 H ASP A 75 6.603 14.793 -22.351 1.00 0.00 H new ATOM 0 HA ASP A 75 7.894 17.246 -21.904 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.192 16.944 -23.628 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.994 16.467 -22.440 1.00 0.00 H new ATOM 1177 N GLU A 76 5.771 16.321 -19.549 1.00 0.00 N ATOM 1178 CA GLU A 76 5.277 16.573 -18.203 1.00 0.00 C ATOM 1179 C GLU A 76 6.412 16.467 -17.181 1.00 0.00 C ATOM 1180 O GLU A 76 6.462 17.247 -16.229 1.00 0.00 O ATOM 1181 CB GLU A 76 4.153 15.558 -17.911 1.00 0.00 C ATOM 1182 CG GLU A 76 3.177 15.967 -16.798 1.00 0.00 C ATOM 1183 CD GLU A 76 2.267 17.150 -17.170 1.00 0.00 C ATOM 1184 OE1 GLU A 76 1.791 17.239 -18.323 1.00 0.00 O ATOM 1185 OE2 GLU A 76 2.033 18.035 -16.318 1.00 0.00 O ATOM 0 H GLU A 76 5.421 15.451 -19.950 1.00 0.00 H new ATOM 0 HA GLU A 76 4.881 17.586 -18.127 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.586 15.394 -18.827 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.607 14.604 -17.642 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.555 15.110 -16.541 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.747 16.226 -15.906 1.00 0.00 H new ATOM 1192 N TRP A 77 7.331 15.519 -17.377 1.00 0.00 N ATOM 1193 CA TRP A 77 8.521 15.353 -16.558 1.00 0.00 C ATOM 1194 C TRP A 77 9.423 16.567 -16.749 1.00 0.00 C ATOM 1195 O TRP A 77 9.781 17.213 -15.767 1.00 0.00 O ATOM 1196 CB TRP A 77 9.214 14.039 -16.952 1.00 0.00 C ATOM 1197 CG TRP A 77 10.569 13.746 -16.381 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.605 13.280 -17.110 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.062 13.807 -15.004 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.704 13.079 -16.304 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.423 13.369 -14.988 1.00 0.00 C ATOM 1202 CE3 TRP A 77 10.505 14.181 -13.763 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 13.182 13.309 -13.810 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 11.252 14.102 -12.572 1.00 0.00 C ATOM 1205 CH2 TRP A 77 12.588 13.671 -12.591 1.00 0.00 C ATOM 0 H TRP A 77 7.262 14.833 -18.128 1.00 0.00 H new ATOM 0 HA TRP A 77 8.270 15.291 -15.499 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.552 13.219 -16.673 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.301 14.023 -18.038 1.00 0.00 H new ATOM 0 HD1 TRP A 77 11.576 13.092 -18.173 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.611 12.756 -16.640 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.485 14.535 -13.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 14.213 12.988 -13.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.792 14.376 -11.634 1.00 0.00 H new ATOM 0 HH2 TRP A 77 13.155 13.618 -11.673 1.00 0.00 H new ATOM 1216 N GLU A 78 9.752 16.923 -17.994 1.00 0.00 N ATOM 1217 CA GLU A 78 10.710 17.987 -18.273 1.00 0.00 C ATOM 1218 C GLU A 78 10.224 19.346 -17.785 1.00 0.00 C ATOM 1219 O GLU A 78 11.016 20.130 -17.260 1.00 0.00 O ATOM 1220 CB GLU A 78 11.072 18.022 -19.765 1.00 0.00 C ATOM 1221 CG GLU A 78 12.000 16.861 -20.154 1.00 0.00 C ATOM 1222 CD GLU A 78 12.431 16.951 -21.628 1.00 0.00 C ATOM 1223 OE1 GLU A 78 13.428 17.647 -21.932 1.00 0.00 O ATOM 1224 OE2 GLU A 78 11.801 16.315 -22.502 1.00 0.00 O ATOM 0 H GLU A 78 9.363 16.483 -18.828 1.00 0.00 H new ATOM 0 HA GLU A 78 11.615 17.760 -17.710 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.161 17.975 -20.361 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.557 18.969 -19.999 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.883 16.870 -19.515 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.491 15.913 -19.980 1.00 0.00 H new ATOM 1231 N ARG A 79 8.923 19.612 -17.883 1.00 0.00 N ATOM 1232 CA ARG A 79 8.340 20.809 -17.299 1.00 0.00 C ATOM 1233 C ARG A 79 8.531 20.810 -15.788 1.00 0.00 C ATOM 1234 O ARG A 79 9.048 21.786 -15.246 1.00 0.00 O ATOM 1235 CB ARG A 79 6.868 20.858 -17.704 1.00 0.00 C ATOM 1236 CG ARG A 79 6.695 21.603 -19.043 1.00 0.00 C ATOM 1237 CD ARG A 79 5.364 21.298 -19.735 1.00 0.00 C ATOM 1238 NE ARG A 79 4.217 21.415 -18.817 1.00 0.00 N ATOM 1239 CZ ARG A 79 3.362 20.425 -18.529 1.00 0.00 C ATOM 1240 NH1 ARG A 79 3.263 19.352 -19.307 1.00 0.00 N ATOM 1241 NH2 ARG A 79 2.616 20.499 -17.435 1.00 0.00 N ATOM 0 H ARG A 79 8.254 19.010 -18.364 1.00 0.00 H new ATOM 0 HA ARG A 79 8.836 21.706 -17.668 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.476 19.845 -17.793 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.288 21.357 -16.927 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.768 22.676 -18.866 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.514 21.333 -19.710 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.227 21.982 -20.573 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.394 20.290 -20.148 1.00 0.00 H new ATOM 0 HE ARG A 79 4.063 22.317 -18.367 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.845 19.271 -20.141 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.606 18.609 -19.070 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.695 21.307 -16.818 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.963 19.748 -17.211 1.00 0.00 H new ATOM 1255 N GLN A 80 8.188 19.722 -15.097 1.00 0.00 N ATOM 1256 CA GLN A 80 8.376 19.656 -13.653 1.00 0.00 C ATOM 1257 C GLN A 80 9.860 19.818 -13.280 1.00 0.00 C ATOM 1258 O GLN A 80 10.155 20.451 -12.268 1.00 0.00 O ATOM 1259 CB GLN A 80 7.751 18.373 -13.082 1.00 0.00 C ATOM 1260 CG GLN A 80 6.216 18.415 -13.152 1.00 0.00 C ATOM 1261 CD GLN A 80 5.558 17.088 -12.792 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.288 16.794 -11.631 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.265 16.275 -13.794 1.00 0.00 N ATOM 0 H GLN A 80 7.782 18.883 -15.512 1.00 0.00 H new ATOM 0 HA GLN A 80 7.851 20.493 -13.192 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.118 17.510 -13.637 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.066 18.243 -12.047 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.850 19.189 -12.477 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.913 18.701 -14.159 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.499 16.540 -14.751 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.805 15.383 -13.610 1.00 0.00 H new ATOM 1272 N CYS A 81 10.799 19.345 -14.110 1.00 0.00 N ATOM 1273 CA CYS A 81 12.229 19.480 -13.847 1.00 0.00 C ATOM 1274 C CYS A 81 12.652 20.948 -13.762 1.00 0.00 C ATOM 1275 O CYS A 81 13.451 21.288 -12.889 1.00 0.00 O ATOM 1276 CB CYS A 81 13.067 18.779 -14.926 1.00 0.00 C ATOM 1277 SG CYS A 81 12.764 16.992 -14.944 1.00 0.00 S ATOM 0 H CYS A 81 10.584 18.859 -14.981 1.00 0.00 H new ATOM 0 HA CYS A 81 12.412 19.002 -12.884 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.829 19.199 -15.903 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.125 18.968 -14.746 1.00 0.00 H new ATOM 0 HG CYS A 81 11.516 16.766 -15.231 1.00 0.00 H new