USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=24 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 -147:sc= 0.7 USER MOD Set 1.2: A 81 CYS SG : rot 66:sc= 1.51 USER MOD Set 2.1: A 17 HIS : no HE2:sc= 0.0204 K(o=0.02,f=-1.5) USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.697 (180deg=0.623) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= 0.634 (180deg=0) USER MOD Single : A 8 SER OG : rot -173:sc= 0.876 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0332 USER MOD Single : A 11 ASN : amide:sc= -1.87 K(o=-1.9,f=-5.6!) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0167) USER MOD Single : A 13 GLN : amide:sc= 1.02 K(o=1,f=-7.6!) USER MOD Single : A 15 ASN : amide:sc= 0.945 K(o=0.95,f=-0.33) USER MOD Single : A 20 MET CE :methyl 169:sc= -0.743 (180deg=-1.14) USER MOD Single : A 22 CYS SG : rot -30:sc= -0.674 USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 1.17 (180deg=0.689) USER MOD Single : A 30 MET CE :methyl -172:sc= 0 (180deg=-0.0491) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -146:sc= 0.756 (180deg=-0.0175!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 51 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 72:sc= -0.519 USER MOD Single : A 57 ASN : amide:sc= 1.12 K(o=1.1,f=-0.039) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0892 X(o=-0.089,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0.975 (180deg=0.933) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.00456 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0072 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 148:sc= 1.27 USER MOD Single : A 80 GLN : amide:sc= 0.551 K(o=0.55,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.190 -1.882 -0.543 1.00 0.00 N ATOM 2 CA MET A 1 3.672 -1.362 -1.841 1.00 0.00 C ATOM 3 C MET A 1 4.794 -0.361 -1.583 1.00 0.00 C ATOM 4 O MET A 1 4.653 0.553 -0.767 1.00 0.00 O ATOM 5 CB MET A 1 2.547 -0.742 -2.696 1.00 0.00 C ATOM 6 CG MET A 1 3.053 -0.294 -4.077 1.00 0.00 C ATOM 7 SD MET A 1 3.757 -1.602 -5.117 1.00 0.00 S ATOM 8 CE MET A 1 4.274 -0.591 -6.534 1.00 0.00 C ATOM 0 H1 MET A 1 2.548 -2.684 -0.707 1.00 0.00 H new ATOM 0 H2 MET A 1 4.000 -2.198 0.027 1.00 0.00 H new ATOM 0 H3 MET A 1 2.682 -1.130 -0.035 1.00 0.00 H new ATOM 0 HA MET A 1 4.051 -2.200 -2.426 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.745 -1.469 -2.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.122 0.113 -2.171 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.225 0.167 -4.615 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.809 0.478 -3.934 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.735 -1.229 -7.288 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.404 -0.094 -6.963 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.994 0.158 -6.203 1.00 0.00 H new ATOM 20 N GLU A 2 5.912 -0.530 -2.286 1.00 0.00 N ATOM 21 CA GLU A 2 7.107 0.289 -2.171 1.00 0.00 C ATOM 22 C GLU A 2 7.496 0.694 -3.593 1.00 0.00 C ATOM 23 O GLU A 2 7.097 0.038 -4.564 1.00 0.00 O ATOM 24 CB GLU A 2 8.237 -0.484 -1.469 1.00 0.00 C ATOM 25 CG GLU A 2 7.865 -1.027 -0.075 1.00 0.00 C ATOM 26 CD GLU A 2 7.123 -2.380 -0.104 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.752 -3.415 -0.426 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.918 -2.432 0.236 1.00 0.00 O ATOM 0 H GLU A 2 6.009 -1.273 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 2 6.923 1.173 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.538 -1.318 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.103 0.171 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.775 -1.136 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.241 -0.293 0.434 1.00 0.00 H new ATOM 35 N TRP A 3 8.273 1.764 -3.724 1.00 0.00 N ATOM 36 CA TRP A 3 8.538 2.424 -4.985 1.00 0.00 C ATOM 37 C TRP A 3 10.033 2.727 -5.072 1.00 0.00 C ATOM 38 O TRP A 3 10.760 2.571 -4.088 1.00 0.00 O ATOM 39 CB TRP A 3 7.669 3.694 -5.056 1.00 0.00 C ATOM 40 CG TRP A 3 6.199 3.498 -4.807 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.611 3.486 -3.589 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.117 3.275 -5.766 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.258 3.256 -3.721 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.894 3.123 -5.044 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.038 3.204 -7.173 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.666 2.896 -5.687 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.813 2.975 -7.830 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.629 2.818 -7.089 1.00 0.00 C ATOM 0 H TRP A 3 8.745 2.202 -2.933 1.00 0.00 H new ATOM 0 HA TRP A 3 8.281 1.795 -5.837 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.049 4.412 -4.329 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.794 4.142 -6.042 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.126 3.635 -2.651 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.608 3.192 -2.938 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.937 3.328 -7.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.760 2.783 -5.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.784 2.920 -8.908 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.693 2.638 -7.596 1.00 0.00 H new ATOM 59 N LEU A 4 10.497 3.160 -6.238 1.00 0.00 N ATOM 60 CA LEU A 4 11.902 3.330 -6.569 1.00 0.00 C ATOM 61 C LEU A 4 12.067 4.672 -7.259 1.00 0.00 C ATOM 62 O LEU A 4 11.381 4.974 -8.232 1.00 0.00 O ATOM 63 CB LEU A 4 12.336 2.191 -7.499 1.00 0.00 C ATOM 64 CG LEU A 4 13.798 2.216 -7.984 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.793 1.951 -6.851 1.00 0.00 C ATOM 66 CD2 LEU A 4 13.982 1.137 -9.059 1.00 0.00 C ATOM 0 H LEU A 4 9.878 3.412 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 4 12.521 3.304 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.164 1.246 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.686 2.199 -8.374 1.00 0.00 H new ATOM 0 HG LEU A 4 13.998 3.212 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.809 1.979 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.681 2.715 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.599 0.970 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.014 1.145 -9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.750 0.159 -8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.313 1.339 -9.895 1.00 0.00 H new ATOM 78 N VAL A 5 12.992 5.461 -6.742 1.00 0.00 N ATOM 79 CA VAL A 5 13.492 6.683 -7.351 1.00 0.00 C ATOM 80 C VAL A 5 14.442 6.211 -8.439 1.00 0.00 C ATOM 81 O VAL A 5 15.522 5.697 -8.111 1.00 0.00 O ATOM 82 CB VAL A 5 14.236 7.545 -6.311 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.683 8.884 -6.910 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.365 7.801 -5.072 1.00 0.00 C ATOM 0 H VAL A 5 13.436 5.259 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 5 12.690 7.305 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 5 15.121 6.984 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.204 9.467 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.353 8.701 -7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.810 9.437 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.918 8.411 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.456 8.324 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.102 6.850 -4.609 1.00 0.00 H new ATOM 94 N LYS A 6 14.011 6.379 -9.697 1.00 0.00 N ATOM 95 CA LYS A 6 14.765 6.087 -10.923 1.00 0.00 C ATOM 96 C LYS A 6 15.384 7.350 -11.537 1.00 0.00 C ATOM 97 O LYS A 6 16.331 7.226 -12.308 1.00 0.00 O ATOM 98 CB LYS A 6 13.841 5.422 -11.960 1.00 0.00 C ATOM 99 CG LYS A 6 13.649 3.914 -11.718 1.00 0.00 C ATOM 100 CD LYS A 6 14.611 3.016 -12.521 1.00 0.00 C ATOM 101 CE LYS A 6 16.098 3.376 -12.360 1.00 0.00 C ATOM 102 NZ LYS A 6 16.988 2.436 -13.090 1.00 0.00 N ATOM 0 H LYS A 6 13.079 6.741 -9.897 1.00 0.00 H new ATOM 0 HA LYS A 6 15.577 5.413 -10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.869 5.914 -11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.255 5.574 -12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.780 3.709 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.623 3.645 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.465 1.981 -12.213 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.348 3.075 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.266 4.389 -12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.358 3.371 -11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.979 2.719 -12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.849 1.472 -12.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.759 2.459 -14.104 1.00 0.00 H new ATOM 116 N LYS A 7 14.886 8.544 -11.198 1.00 0.00 N ATOM 117 CA LYS A 7 15.469 9.850 -11.535 1.00 0.00 C ATOM 118 C LYS A 7 15.195 10.755 -10.338 1.00 0.00 C ATOM 119 O LYS A 7 14.210 10.516 -9.641 1.00 0.00 O ATOM 120 CB LYS A 7 14.875 10.463 -12.820 1.00 0.00 C ATOM 121 CG LYS A 7 15.007 9.538 -14.039 1.00 0.00 C ATOM 122 CD LYS A 7 14.721 10.267 -15.355 1.00 0.00 C ATOM 123 CE LYS A 7 14.572 9.229 -16.474 1.00 0.00 C ATOM 124 NZ LYS A 7 14.334 9.855 -17.799 1.00 0.00 N ATOM 0 H LYS A 7 14.026 8.632 -10.656 1.00 0.00 H new ATOM 0 HA LYS A 7 16.534 9.737 -11.736 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.822 10.690 -12.655 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.376 11.408 -13.031 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.014 9.121 -14.069 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.318 8.700 -13.933 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.811 10.860 -15.267 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.531 10.958 -15.587 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.473 8.617 -16.521 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.745 8.560 -16.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.407 9.556 -18.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.350 10.890 -17.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.078 9.558 -18.462 1.00 0.00 H new ATOM 138 N SER A 8 16.015 11.776 -10.108 1.00 0.00 N ATOM 139 CA SER A 8 15.833 12.781 -9.064 1.00 0.00 C ATOM 140 C SER A 8 16.350 14.108 -9.635 1.00 0.00 C ATOM 141 O SER A 8 17.208 14.111 -10.526 1.00 0.00 O ATOM 142 CB SER A 8 16.593 12.365 -7.798 1.00 0.00 C ATOM 143 OG SER A 8 16.217 13.174 -6.699 1.00 0.00 O ATOM 0 H SER A 8 16.856 11.933 -10.664 1.00 0.00 H new ATOM 0 HA SER A 8 14.786 12.884 -8.778 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.388 11.319 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.666 12.450 -7.968 1.00 0.00 H new ATOM 0 HG SER A 8 16.787 12.965 -5.929 1.00 0.00 H new ATOM 149 N CYS A 9 15.829 15.224 -9.128 1.00 0.00 N ATOM 150 CA CYS A 9 16.015 16.563 -9.675 1.00 0.00 C ATOM 151 C CYS A 9 16.347 17.505 -8.519 1.00 0.00 C ATOM 152 O CYS A 9 15.445 18.006 -7.839 1.00 0.00 O ATOM 153 CB CYS A 9 14.756 17.027 -10.434 1.00 0.00 C ATOM 154 SG CYS A 9 14.150 15.750 -11.578 1.00 0.00 S ATOM 0 H CYS A 9 15.244 15.218 -8.293 1.00 0.00 H new ATOM 0 HA CYS A 9 16.833 16.564 -10.395 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.972 17.277 -9.719 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.981 17.937 -10.991 1.00 0.00 H new ATOM 0 HG CYS A 9 13.620 16.318 -12.620 1.00 0.00 H new ATOM 160 N CYS A 10 17.644 17.694 -8.264 1.00 0.00 N ATOM 161 CA CYS A 10 18.145 18.582 -7.223 1.00 0.00 C ATOM 162 C CYS A 10 17.641 20.012 -7.457 1.00 0.00 C ATOM 163 O CYS A 10 17.640 20.498 -8.592 1.00 0.00 O ATOM 164 CB CYS A 10 19.680 18.549 -7.208 1.00 0.00 C ATOM 165 SG CYS A 10 20.287 16.845 -6.997 1.00 0.00 S ATOM 0 H CYS A 10 18.384 17.225 -8.786 1.00 0.00 H new ATOM 0 HA CYS A 10 17.775 18.242 -6.256 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.066 18.965 -8.138 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.054 19.176 -6.399 1.00 0.00 H new ATOM 0 HG CYS A 10 21.587 16.845 -6.990 1.00 0.00 H new ATOM 171 N ASN A 11 17.253 20.695 -6.379 1.00 0.00 N ATOM 172 CA ASN A 11 16.868 22.107 -6.365 1.00 0.00 C ATOM 173 C ASN A 11 17.155 22.649 -4.966 1.00 0.00 C ATOM 174 O ASN A 11 17.112 21.907 -3.982 1.00 0.00 O ATOM 175 CB ASN A 11 15.388 22.296 -6.750 1.00 0.00 C ATOM 176 CG ASN A 11 14.464 22.216 -5.552 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.002 23.239 -5.061 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.250 21.020 -5.028 1.00 0.00 N ATOM 0 H ASN A 11 17.196 20.263 -5.457 1.00 0.00 H new ATOM 0 HA ASN A 11 17.445 22.658 -7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.263 23.263 -7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.104 21.534 -7.476 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.683 20.926 -4.185 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.652 20.192 -5.467 1.00 0.00 H new ATOM 185 N LYS A 12 17.401 23.954 -4.882 1.00 0.00 N ATOM 186 CA LYS A 12 17.511 24.687 -3.620 1.00 0.00 C ATOM 187 C LYS A 12 16.754 26.014 -3.672 1.00 0.00 C ATOM 188 O LYS A 12 16.737 26.743 -2.682 1.00 0.00 O ATOM 189 CB LYS A 12 18.989 24.805 -3.183 1.00 0.00 C ATOM 190 CG LYS A 12 20.001 25.322 -4.222 1.00 0.00 C ATOM 191 CD LYS A 12 19.686 26.735 -4.731 1.00 0.00 C ATOM 192 CE LYS A 12 20.779 27.295 -5.656 1.00 0.00 C ATOM 193 NZ LYS A 12 22.052 27.588 -4.948 1.00 0.00 N ATOM 0 H LYS A 12 17.532 24.544 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 12 17.016 24.118 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.031 25.464 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.321 23.821 -2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.998 25.317 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.024 24.636 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.737 26.720 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.561 27.403 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.972 26.579 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.414 28.208 -6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.725 28.025 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.868 28.241 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.455 26.703 -4.578 1.00 0.00 H new ATOM 207 N GLN A 13 16.122 26.333 -4.810 1.00 0.00 N ATOM 208 CA GLN A 13 15.391 27.576 -4.982 1.00 0.00 C ATOM 209 C GLN A 13 14.086 27.515 -4.184 1.00 0.00 C ATOM 210 O GLN A 13 13.641 28.551 -3.687 1.00 0.00 O ATOM 211 CB GLN A 13 15.108 27.846 -6.471 1.00 0.00 C ATOM 212 CG GLN A 13 16.347 27.781 -7.386 1.00 0.00 C ATOM 213 CD GLN A 13 16.604 26.378 -7.947 1.00 0.00 C ATOM 214 OE1 GLN A 13 17.165 25.512 -7.279 1.00 0.00 O ATOM 215 NE2 GLN A 13 16.164 26.107 -9.162 1.00 0.00 N ATOM 0 H GLN A 13 16.109 25.730 -5.632 1.00 0.00 H new ATOM 0 HA GLN A 13 16.000 28.399 -4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.374 27.121 -6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.654 28.832 -6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.218 28.479 -8.213 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.223 28.109 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.700 26.831 -9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.289 25.173 -9.553 1.00 0.00 H new ATOM 224 N ASP A 14 13.486 26.321 -4.036 1.00 0.00 N ATOM 225 CA ASP A 14 12.217 26.185 -3.292 1.00 0.00 C ATOM 226 C ASP A 14 12.093 24.862 -2.521 1.00 0.00 C ATOM 227 O ASP A 14 11.064 24.567 -1.918 1.00 0.00 O ATOM 228 CB ASP A 14 11.040 26.386 -4.260 1.00 0.00 C ATOM 229 CG ASP A 14 9.713 26.699 -3.546 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.700 27.447 -2.542 1.00 0.00 O ATOM 231 OD2 ASP A 14 8.660 26.265 -4.061 1.00 0.00 O ATOM 0 H ASP A 14 13.851 25.447 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 14 12.202 26.960 -2.525 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.277 27.200 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.917 25.487 -4.863 1.00 0.00 H new ATOM 236 N ASN A 15 13.155 24.051 -2.546 1.00 0.00 N ATOM 237 CA ASN A 15 13.327 22.705 -2.016 1.00 0.00 C ATOM 238 C ASN A 15 12.302 21.668 -2.502 1.00 0.00 C ATOM 239 O ASN A 15 12.381 20.496 -2.130 1.00 0.00 O ATOM 240 CB ASN A 15 13.501 22.770 -0.501 1.00 0.00 C ATOM 241 CG ASN A 15 14.075 21.465 0.021 1.00 0.00 C ATOM 242 OD1 ASN A 15 15.127 21.003 -0.409 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.383 20.853 0.954 1.00 0.00 N ATOM 0 H ASN A 15 14.016 24.366 -2.994 1.00 0.00 H new ATOM 0 HA ASN A 15 14.246 22.305 -2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.162 23.596 -0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.540 22.968 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.717 19.970 1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.511 21.261 1.293 1.00 0.00 H new ATOM 250 N ARG A 16 11.397 22.051 -3.405 1.00 0.00 N ATOM 251 CA ARG A 16 10.449 21.150 -4.061 1.00 0.00 C ATOM 252 C ARG A 16 11.181 20.333 -5.128 1.00 0.00 C ATOM 253 O ARG A 16 11.267 20.726 -6.290 1.00 0.00 O ATOM 254 CB ARG A 16 9.264 21.901 -4.682 1.00 0.00 C ATOM 255 CG ARG A 16 8.517 22.846 -3.720 1.00 0.00 C ATOM 256 CD ARG A 16 7.146 23.360 -4.217 1.00 0.00 C ATOM 257 NE ARG A 16 6.914 23.158 -5.658 1.00 0.00 N ATOM 258 CZ ARG A 16 7.451 23.856 -6.662 1.00 0.00 C ATOM 259 NH1 ARG A 16 8.135 24.974 -6.445 1.00 0.00 N ATOM 260 NH2 ARG A 16 7.318 23.404 -7.900 1.00 0.00 N ATOM 0 H ARG A 16 11.301 23.020 -3.707 1.00 0.00 H new ATOM 0 HA ARG A 16 10.038 20.486 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.625 22.482 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.556 21.171 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.369 22.328 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.155 23.706 -3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.357 22.856 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.066 24.424 -3.993 1.00 0.00 H new ATOM 0 HE ARG A 16 6.276 22.405 -5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.260 25.319 -5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.535 25.488 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.812 22.536 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.722 23.924 -8.679 1.00 0.00 H new ATOM 274 N HIS A 17 11.782 19.231 -4.705 1.00 0.00 N ATOM 275 CA HIS A 17 12.409 18.255 -5.576 1.00 0.00 C ATOM 276 C HIS A 17 11.368 17.595 -6.477 1.00 0.00 C ATOM 277 O HIS A 17 10.166 17.635 -6.216 1.00 0.00 O ATOM 278 CB HIS A 17 13.118 17.208 -4.709 1.00 0.00 C ATOM 279 CG HIS A 17 14.391 17.743 -4.115 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.526 18.577 -3.025 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.630 17.588 -4.665 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.824 18.919 -2.932 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.539 18.350 -3.921 1.00 0.00 N ATOM 0 H HIS A 17 11.847 18.986 -3.717 1.00 0.00 H new ATOM 0 HA HIS A 17 13.137 18.749 -6.219 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.451 16.887 -3.909 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.340 16.327 -5.312 1.00 0.00 H new ATOM 0 HD1 HIS A 17 13.777 18.880 -2.402 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.869 16.982 -5.526 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.236 19.562 -2.168 1.00 0.00 H new ATOM 291 N VAL A 18 11.844 16.914 -7.516 1.00 0.00 N ATOM 292 CA VAL A 18 11.022 16.039 -8.336 1.00 0.00 C ATOM 293 C VAL A 18 11.849 14.796 -8.571 1.00 0.00 C ATOM 294 O VAL A 18 13.076 14.859 -8.662 1.00 0.00 O ATOM 295 CB VAL A 18 10.605 16.687 -9.672 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.503 15.896 -10.397 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.103 18.122 -9.494 1.00 0.00 C ATOM 0 H VAL A 18 12.819 16.957 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 18 10.084 15.817 -7.826 1.00 0.00 H new ATOM 0 HB VAL A 18 11.515 16.683 -10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.249 16.398 -11.331 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.860 14.889 -10.612 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.618 15.840 -9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.822 18.532 -10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.235 18.125 -8.834 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.893 18.732 -9.057 1.00 0.00 H new ATOM 307 N LEU A 19 11.168 13.667 -8.633 1.00 0.00 N ATOM 308 CA LEU A 19 11.776 12.379 -8.875 1.00 0.00 C ATOM 309 C LEU A 19 10.852 11.581 -9.784 1.00 0.00 C ATOM 310 O LEU A 19 9.668 11.906 -9.915 1.00 0.00 O ATOM 311 CB LEU A 19 12.120 11.617 -7.571 1.00 0.00 C ATOM 312 CG LEU A 19 11.654 12.130 -6.187 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.904 11.020 -5.171 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.429 13.375 -5.721 1.00 0.00 C ATOM 0 H LEU A 19 10.156 13.623 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 19 12.737 12.528 -9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.728 10.606 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.206 11.535 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 19 10.602 12.402 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.585 11.352 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.339 10.132 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.967 10.781 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.059 13.690 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.490 13.137 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.287 14.182 -6.440 1.00 0.00 H new ATOM 326 N MET A 20 11.390 10.528 -10.398 1.00 0.00 N ATOM 327 CA MET A 20 10.578 9.563 -11.113 1.00 0.00 C ATOM 328 C MET A 20 10.383 8.414 -10.155 1.00 0.00 C ATOM 329 O MET A 20 11.321 7.674 -9.848 1.00 0.00 O ATOM 330 CB MET A 20 11.170 9.138 -12.456 1.00 0.00 C ATOM 331 CG MET A 20 10.707 10.143 -13.516 1.00 0.00 C ATOM 332 SD MET A 20 11.196 9.788 -15.225 1.00 0.00 S ATOM 333 CE MET A 20 10.402 8.181 -15.478 1.00 0.00 C ATOM 0 H MET A 20 12.390 10.327 -10.410 1.00 0.00 H new ATOM 0 HA MET A 20 9.623 10.000 -11.404 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.258 9.115 -12.403 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.842 8.132 -12.716 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.619 10.205 -13.477 1.00 0.00 H new ATOM 0 HG3 MET A 20 11.092 11.126 -13.247 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.442 7.918 -16.535 1.00 0.00 H new ATOM 0 HE2 MET A 20 10.923 7.422 -14.895 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.362 8.235 -15.157 1.00 0.00 H new ATOM 343 N LEU A 21 9.167 8.366 -9.629 1.00 0.00 N ATOM 344 CA LEU A 21 8.711 7.454 -8.611 1.00 0.00 C ATOM 345 C LEU A 21 8.119 6.284 -9.380 1.00 0.00 C ATOM 346 O LEU A 21 7.145 6.444 -10.113 1.00 0.00 O ATOM 347 CB LEU A 21 7.705 8.224 -7.745 1.00 0.00 C ATOM 348 CG LEU A 21 7.210 7.452 -6.515 1.00 0.00 C ATOM 349 CD1 LEU A 21 6.715 8.458 -5.468 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.055 6.513 -6.867 1.00 0.00 C ATOM 0 H LEU A 21 8.432 9.008 -9.927 1.00 0.00 H new ATOM 0 HA LEU A 21 9.474 7.072 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.166 9.155 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.846 8.494 -8.360 1.00 0.00 H new ATOM 0 HG LEU A 21 8.038 6.855 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.360 7.922 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.533 9.120 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.900 9.048 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.731 5.983 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.223 7.093 -7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.387 5.792 -7.615 1.00 0.00 H new ATOM 362 N CYS A 22 8.737 5.121 -9.251 1.00 0.00 N ATOM 363 CA CYS A 22 8.481 3.966 -10.094 1.00 0.00 C ATOM 364 C CYS A 22 8.194 2.746 -9.231 1.00 0.00 C ATOM 365 O CYS A 22 8.410 2.779 -8.025 1.00 0.00 O ATOM 366 CB CYS A 22 9.726 3.735 -10.963 1.00 0.00 C ATOM 367 SG CYS A 22 10.175 5.261 -11.845 1.00 0.00 S ATOM 0 H CYS A 22 9.448 4.951 -8.540 1.00 0.00 H new ATOM 0 HA CYS A 22 7.611 4.137 -10.728 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.558 3.410 -10.338 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.534 2.936 -11.679 1.00 0.00 H new ATOM 0 HG CYS A 22 9.103 5.960 -12.077 1.00 0.00 H new ATOM 373 N ASP A 23 7.708 1.669 -9.838 1.00 0.00 N ATOM 374 CA ASP A 23 7.615 0.354 -9.201 1.00 0.00 C ATOM 375 C ASP A 23 8.980 -0.012 -8.593 1.00 0.00 C ATOM 376 O ASP A 23 10.013 0.381 -9.140 1.00 0.00 O ATOM 377 CB ASP A 23 7.190 -0.661 -10.274 1.00 0.00 C ATOM 378 CG ASP A 23 7.685 -2.084 -9.983 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.082 -2.772 -9.128 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.678 -2.490 -10.623 1.00 0.00 O ATOM 0 H ASP A 23 7.363 1.681 -10.798 1.00 0.00 H new ATOM 0 HA ASP A 23 6.880 0.354 -8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.103 -0.669 -10.349 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.574 -0.340 -11.242 1.00 0.00 H new ATOM 385 N ALA A 24 9.002 -0.761 -7.484 1.00 0.00 N ATOM 386 CA ALA A 24 10.213 -1.317 -6.881 1.00 0.00 C ATOM 387 C ALA A 24 10.848 -2.376 -7.806 1.00 0.00 C ATOM 388 O ALA A 24 10.746 -3.581 -7.563 1.00 0.00 O ATOM 389 CB ALA A 24 9.901 -1.858 -5.479 1.00 0.00 C ATOM 0 H ALA A 24 8.154 -1.002 -6.970 1.00 0.00 H new ATOM 0 HA ALA A 24 10.955 -0.528 -6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.809 -2.270 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.527 -1.049 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.145 -2.640 -5.551 1.00 0.00 H new ATOM 395 N GLY A 25 11.469 -1.912 -8.893 1.00 0.00 N ATOM 396 CA GLY A 25 11.950 -2.723 -10.006 1.00 0.00 C ATOM 397 C GLY A 25 11.938 -1.957 -11.334 1.00 0.00 C ATOM 398 O GLY A 25 12.586 -2.375 -12.296 1.00 0.00 O ATOM 0 H GLY A 25 11.657 -0.918 -9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.964 -3.062 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.329 -3.614 -10.098 1.00 0.00 H new ATOM 402 N GLY A 26 11.228 -0.827 -11.388 1.00 0.00 N ATOM 403 CA GLY A 26 11.130 0.058 -12.537 1.00 0.00 C ATOM 404 C GLY A 26 10.133 -0.415 -13.599 1.00 0.00 C ATOM 405 O GLY A 26 10.129 0.158 -14.690 1.00 0.00 O ATOM 0 H GLY A 26 10.683 -0.495 -10.592 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.838 1.051 -12.195 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.115 0.155 -12.994 1.00 0.00 H new ATOM 409 N ALA A 27 9.306 -1.434 -13.327 1.00 0.00 N ATOM 410 CA ALA A 27 8.414 -2.022 -14.331 1.00 0.00 C ATOM 411 C ALA A 27 7.289 -1.068 -14.768 1.00 0.00 C ATOM 412 O ALA A 27 6.717 -1.242 -15.845 1.00 0.00 O ATOM 413 CB ALA A 27 7.811 -3.321 -13.783 1.00 0.00 C ATOM 0 H ALA A 27 9.238 -1.871 -12.408 1.00 0.00 H new ATOM 0 HA ALA A 27 9.017 -2.225 -15.216 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.148 -3.758 -14.530 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.611 -4.024 -13.552 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.245 -3.105 -12.877 1.00 0.00 H new ATOM 419 N ILE A 28 6.972 -0.072 -13.939 1.00 0.00 N ATOM 420 CA ILE A 28 5.983 0.979 -14.159 1.00 0.00 C ATOM 421 C ILE A 28 6.660 2.242 -13.624 1.00 0.00 C ATOM 422 O ILE A 28 7.405 2.153 -12.642 1.00 0.00 O ATOM 423 CB ILE A 28 4.664 0.653 -13.405 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.066 -0.698 -13.870 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.631 1.787 -13.574 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.764 -1.101 -13.168 1.00 0.00 C ATOM 0 H ILE A 28 7.433 0.026 -13.034 1.00 0.00 H new ATOM 0 HA ILE A 28 5.695 1.089 -15.205 1.00 0.00 H new ATOM 0 HB ILE A 28 4.908 0.567 -12.346 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.883 -0.648 -14.943 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.806 -1.482 -13.709 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.718 1.531 -13.036 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.040 2.715 -13.174 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.404 1.917 -14.632 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.421 -2.059 -13.559 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.941 -1.189 -12.096 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.003 -0.342 -13.349 1.00 0.00 H new ATOM 438 N LYS A 29 6.425 3.404 -14.238 1.00 0.00 N ATOM 439 CA LYS A 29 7.105 4.646 -13.875 1.00 0.00 C ATOM 440 C LYS A 29 6.101 5.794 -13.823 1.00 0.00 C ATOM 441 O LYS A 29 5.190 5.870 -14.651 1.00 0.00 O ATOM 442 CB LYS A 29 8.252 4.950 -14.857 1.00 0.00 C ATOM 443 CG LYS A 29 9.315 3.832 -14.913 1.00 0.00 C ATOM 444 CD LYS A 29 10.654 4.344 -15.470 1.00 0.00 C ATOM 445 CE LYS A 29 11.812 3.345 -15.309 1.00 0.00 C ATOM 446 NZ LYS A 29 11.627 2.102 -16.103 1.00 0.00 N ATOM 0 H LYS A 29 5.757 3.509 -15.002 1.00 0.00 H new ATOM 0 HA LYS A 29 7.545 4.530 -12.885 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.838 5.100 -15.854 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.732 5.885 -14.567 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.469 3.426 -13.913 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.951 3.015 -15.536 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.532 4.578 -16.528 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.915 5.274 -14.966 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.743 3.826 -15.610 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.914 3.084 -14.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.556 1.714 -16.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.105 1.403 -15.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.089 2.318 -16.967 1.00 0.00 H new ATOM 460 N MET A 30 6.287 6.696 -12.865 1.00 0.00 N ATOM 461 CA MET A 30 5.492 7.896 -12.638 1.00 0.00 C ATOM 462 C MET A 30 6.461 9.021 -12.260 1.00 0.00 C ATOM 463 O MET A 30 7.667 8.802 -12.130 1.00 0.00 O ATOM 464 CB MET A 30 4.430 7.669 -11.543 1.00 0.00 C ATOM 465 CG MET A 30 3.512 6.469 -11.809 1.00 0.00 C ATOM 466 SD MET A 30 1.885 6.536 -11.001 1.00 0.00 S ATOM 467 CE MET A 30 2.360 6.861 -9.281 1.00 0.00 C ATOM 0 H MET A 30 7.042 6.602 -12.186 1.00 0.00 H new ATOM 0 HA MET A 30 4.941 8.162 -13.540 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.933 7.525 -10.587 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.820 8.567 -11.450 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.361 6.381 -12.885 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.023 5.563 -11.483 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.481 6.788 -8.641 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.102 6.128 -8.964 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.783 7.863 -9.203 1.00 0.00 H new ATOM 477 N ILE A 31 5.949 10.234 -12.095 1.00 0.00 N ATOM 478 CA ILE A 31 6.684 11.438 -11.739 1.00 0.00 C ATOM 479 C ILE A 31 6.055 11.905 -10.427 1.00 0.00 C ATOM 480 O ILE A 31 4.832 11.827 -10.286 1.00 0.00 O ATOM 481 CB ILE A 31 6.548 12.500 -12.845 1.00 0.00 C ATOM 482 CG1 ILE A 31 6.989 11.972 -14.228 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.391 13.750 -12.533 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.137 12.642 -15.297 1.00 0.00 C ATOM 0 H ILE A 31 4.952 10.413 -12.213 1.00 0.00 H new ATOM 0 HA ILE A 31 7.753 11.259 -11.628 1.00 0.00 H new ATOM 0 HB ILE A 31 5.488 12.753 -12.875 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.044 12.186 -14.396 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.872 10.889 -14.275 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.271 14.479 -13.335 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.058 14.188 -11.592 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.441 13.470 -12.451 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.436 12.280 -16.281 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.087 12.405 -15.127 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.277 13.722 -15.250 1.00 0.00 H new ATOM 496 N ALA A 32 6.850 12.397 -9.479 1.00 0.00 N ATOM 497 CA ALA A 32 6.351 12.930 -8.221 1.00 0.00 C ATOM 498 C ALA A 32 7.181 14.149 -7.843 1.00 0.00 C ATOM 499 O ALA A 32 8.410 14.077 -7.828 1.00 0.00 O ATOM 500 CB ALA A 32 6.435 11.861 -7.127 1.00 0.00 C ATOM 0 H ALA A 32 7.866 12.436 -9.567 1.00 0.00 H new ATOM 0 HA ALA A 32 5.306 13.222 -8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.059 12.270 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.833 10.999 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.473 11.553 -6.998 1.00 0.00 H new ATOM 506 N GLU A 33 6.512 15.257 -7.539 1.00 0.00 N ATOM 507 CA GLU A 33 7.117 16.434 -6.944 1.00 0.00 C ATOM 508 C GLU A 33 6.954 16.275 -5.432 1.00 0.00 C ATOM 509 O GLU A 33 5.869 15.931 -4.946 1.00 0.00 O ATOM 510 CB GLU A 33 6.420 17.708 -7.456 1.00 0.00 C ATOM 511 CG GLU A 33 7.069 18.985 -6.905 1.00 0.00 C ATOM 512 CD GLU A 33 6.355 20.267 -7.355 1.00 0.00 C ATOM 513 OE1 GLU A 33 6.621 20.770 -8.468 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.598 20.855 -6.553 1.00 0.00 O ATOM 0 H GLU A 33 5.511 15.359 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 33 8.170 16.529 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.454 17.726 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.368 17.685 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.073 18.942 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.110 19.024 -7.227 1.00 0.00 H new ATOM 521 N VAL A 34 8.022 16.521 -4.682 1.00 0.00 N ATOM 522 CA VAL A 34 8.092 16.300 -3.248 1.00 0.00 C ATOM 523 C VAL A 34 8.950 17.408 -2.633 1.00 0.00 C ATOM 524 O VAL A 34 9.767 18.010 -3.322 1.00 0.00 O ATOM 525 CB VAL A 34 8.683 14.898 -2.948 1.00 0.00 C ATOM 526 CG1 VAL A 34 7.928 13.748 -3.642 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.163 14.772 -3.341 1.00 0.00 C ATOM 0 H VAL A 34 8.889 16.892 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 34 7.094 16.331 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 34 8.572 14.807 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.397 12.798 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.890 13.741 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.962 13.890 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.518 13.768 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.272 14.955 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.750 15.504 -2.786 1.00 0.00 H new ATOM 537 N LYS A 35 8.798 17.696 -1.346 1.00 0.00 N ATOM 538 CA LYS A 35 9.745 18.522 -0.606 1.00 0.00 C ATOM 539 C LYS A 35 10.567 17.528 0.206 1.00 0.00 C ATOM 540 O LYS A 35 10.026 16.502 0.629 1.00 0.00 O ATOM 541 CB LYS A 35 9.000 19.559 0.250 1.00 0.00 C ATOM 542 CG LYS A 35 9.957 20.660 0.733 1.00 0.00 C ATOM 543 CD LYS A 35 9.250 21.796 1.488 1.00 0.00 C ATOM 544 CE LYS A 35 8.403 22.676 0.554 1.00 0.00 C ATOM 545 NZ LYS A 35 7.770 23.809 1.276 1.00 0.00 N ATOM 0 H LYS A 35 8.014 17.363 -0.785 1.00 0.00 H new ATOM 0 HA LYS A 35 10.397 19.118 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.192 20.003 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.542 19.067 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.711 20.216 1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.482 21.077 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.611 21.372 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.994 22.414 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.032 23.063 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.629 22.067 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.209 24.376 0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.149 23.440 2.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.508 24.405 1.701 1.00 0.00 H new ATOM 559 N SER A 36 11.841 17.810 0.448 1.00 0.00 N ATOM 560 CA SER A 36 12.746 16.804 0.990 1.00 0.00 C ATOM 561 C SER A 36 13.521 17.397 2.158 1.00 0.00 C ATOM 562 O SER A 36 14.233 18.386 1.989 1.00 0.00 O ATOM 563 CB SER A 36 13.670 16.294 -0.126 1.00 0.00 C ATOM 564 OG SER A 36 13.001 16.236 -1.377 1.00 0.00 O ATOM 0 H SER A 36 12.269 18.720 0.279 1.00 0.00 H new ATOM 0 HA SER A 36 12.186 15.949 1.368 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.538 16.949 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.042 15.303 0.134 1.00 0.00 H new ATOM 0 HG SER A 36 13.619 15.909 -2.064 1.00 0.00 H new ATOM 570 N ASP A 37 13.373 16.816 3.352 1.00 0.00 N ATOM 571 CA ASP A 37 14.120 17.250 4.538 1.00 0.00 C ATOM 572 C ASP A 37 15.502 16.579 4.594 1.00 0.00 C ATOM 573 O ASP A 37 16.327 16.894 5.452 1.00 0.00 O ATOM 574 CB ASP A 37 13.300 16.958 5.803 1.00 0.00 C ATOM 575 CG ASP A 37 13.926 17.593 7.060 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.157 18.824 7.071 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.120 16.887 8.075 1.00 0.00 O ATOM 0 H ASP A 37 12.737 16.037 3.524 1.00 0.00 H new ATOM 0 HA ASP A 37 14.288 18.325 4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.286 17.337 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.222 15.880 5.943 1.00 0.00 H new ATOM 582 N PHE A 38 15.762 15.667 3.650 1.00 0.00 N ATOM 583 CA PHE A 38 16.986 14.902 3.476 1.00 0.00 C ATOM 584 C PHE A 38 17.240 14.791 1.968 1.00 0.00 C ATOM 585 O PHE A 38 16.309 14.956 1.173 1.00 0.00 O ATOM 586 CB PHE A 38 16.823 13.496 4.080 1.00 0.00 C ATOM 587 CG PHE A 38 16.416 13.448 5.542 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.063 13.601 5.901 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.382 13.238 6.545 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.676 13.546 7.251 1.00 0.00 C ATOM 591 CE2 PHE A 38 16.995 13.183 7.896 1.00 0.00 C ATOM 592 CZ PHE A 38 15.642 13.335 8.249 1.00 0.00 C ATOM 0 H PHE A 38 15.068 15.433 2.940 1.00 0.00 H new ATOM 0 HA PHE A 38 17.820 15.392 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.078 12.955 3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.766 12.961 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.319 13.761 5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.421 13.119 6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.637 13.666 7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.738 13.024 8.664 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.346 13.290 9.287 1.00 0.00 H new ATOM 602 N ALA A 39 18.480 14.495 1.570 1.00 0.00 N ATOM 603 CA ALA A 39 18.810 14.221 0.177 1.00 0.00 C ATOM 604 C ALA A 39 18.061 12.972 -0.309 1.00 0.00 C ATOM 605 O ALA A 39 17.825 12.043 0.467 1.00 0.00 O ATOM 606 CB ALA A 39 20.325 14.039 0.026 1.00 0.00 C ATOM 0 H ALA A 39 19.277 14.440 2.204 1.00 0.00 H new ATOM 0 HA ALA A 39 18.499 15.066 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.565 13.834 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.834 14.949 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.655 13.204 0.644 1.00 0.00 H new ATOM 612 N VAL A 40 17.749 12.924 -1.603 1.00 0.00 N ATOM 613 CA VAL A 40 17.091 11.799 -2.258 1.00 0.00 C ATOM 614 C VAL A 40 17.637 11.736 -3.686 1.00 0.00 C ATOM 615 O VAL A 40 17.784 12.769 -4.348 1.00 0.00 O ATOM 616 CB VAL A 40 15.554 11.958 -2.159 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.011 13.288 -2.714 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.828 10.788 -2.835 1.00 0.00 C ATOM 0 H VAL A 40 17.954 13.692 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 40 17.303 10.844 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 40 15.348 11.960 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.927 13.313 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.451 14.119 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.270 13.375 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.751 10.929 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.105 10.748 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.112 9.854 -2.349 1.00 0.00 H new ATOM 628 N LYS A 41 17.997 10.541 -4.153 1.00 0.00 N ATOM 629 CA LYS A 41 18.728 10.342 -5.402 1.00 0.00 C ATOM 630 C LYS A 41 18.333 9.015 -6.045 1.00 0.00 C ATOM 631 O LYS A 41 17.586 8.227 -5.473 1.00 0.00 O ATOM 632 CB LYS A 41 20.252 10.521 -5.182 1.00 0.00 C ATOM 633 CG LYS A 41 20.865 9.875 -3.927 1.00 0.00 C ATOM 634 CD LYS A 41 20.781 8.345 -3.930 1.00 0.00 C ATOM 635 CE LYS A 41 21.312 7.735 -2.626 1.00 0.00 C ATOM 636 NZ LYS A 41 20.432 8.035 -1.469 1.00 0.00 N ATOM 0 H LYS A 41 17.785 9.670 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 41 18.449 11.113 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.768 10.120 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.465 11.590 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.910 10.174 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.355 10.258 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.745 8.040 -4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.352 7.953 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.402 6.655 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.313 8.119 -2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.011 8.147 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.908 8.915 -1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.760 7.253 -1.332 1.00 0.00 H new ATOM 650 N VAL A 42 18.795 8.793 -7.270 1.00 0.00 N ATOM 651 CA VAL A 42 18.492 7.592 -8.037 1.00 0.00 C ATOM 652 C VAL A 42 18.930 6.327 -7.291 1.00 0.00 C ATOM 653 O VAL A 42 19.933 6.317 -6.573 1.00 0.00 O ATOM 654 CB VAL A 42 19.112 7.708 -9.443 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.754 6.495 -10.310 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.564 8.980 -10.101 1.00 0.00 C ATOM 0 H VAL A 42 19.398 9.451 -7.764 1.00 0.00 H new ATOM 0 HA VAL A 42 17.412 7.503 -8.158 1.00 0.00 H new ATOM 0 HB VAL A 42 20.198 7.748 -9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.206 6.606 -11.296 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.130 5.587 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.671 6.428 -10.413 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.989 9.085 -11.099 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.478 8.913 -10.174 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.835 9.847 -9.498 1.00 0.00 H new ATOM 666 N GLY A 43 18.169 5.253 -7.507 1.00 0.00 N ATOM 667 CA GLY A 43 18.329 3.987 -6.830 1.00 0.00 C ATOM 668 C GLY A 43 17.858 4.091 -5.383 1.00 0.00 C ATOM 669 O GLY A 43 18.411 3.381 -4.542 1.00 0.00 O ATOM 0 H GLY A 43 17.403 5.251 -8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.760 3.216 -7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.375 3.683 -6.857 1.00 0.00 H new ATOM 673 N ASP A 44 16.887 4.967 -5.071 1.00 0.00 N ATOM 674 CA ASP A 44 16.410 5.065 -3.669 1.00 0.00 C ATOM 675 C ASP A 44 15.068 4.367 -3.568 1.00 0.00 C ATOM 676 O ASP A 44 14.246 4.506 -4.469 1.00 0.00 O ATOM 677 CB ASP A 44 16.240 6.498 -3.116 1.00 0.00 C ATOM 678 CG ASP A 44 17.480 7.083 -2.432 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.258 6.319 -1.822 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.669 8.319 -2.407 1.00 0.00 O ATOM 0 H ASP A 44 16.430 5.594 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 44 17.191 4.601 -3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.953 7.156 -3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.416 6.500 -2.403 1.00 0.00 H new ATOM 685 N LEU A 45 14.805 3.655 -2.472 1.00 0.00 N ATOM 686 CA LEU A 45 13.463 3.147 -2.219 1.00 0.00 C ATOM 687 C LEU A 45 12.616 4.281 -1.642 1.00 0.00 C ATOM 688 O LEU A 45 13.153 5.145 -0.943 1.00 0.00 O ATOM 689 CB LEU A 45 13.527 2.007 -1.192 1.00 0.00 C ATOM 690 CG LEU A 45 12.254 1.137 -1.134 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.253 0.080 -2.245 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.162 0.466 0.237 1.00 0.00 C ATOM 0 H LEU A 45 15.494 3.421 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 45 13.028 2.777 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.379 1.369 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.709 2.432 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 45 11.386 1.778 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.344 -0.517 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.293 0.573 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.122 -0.568 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.264 -0.150 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.040 -0.161 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.117 1.230 1.014 1.00 0.00 H new ATOM 704 N LEU A 46 11.302 4.230 -1.855 1.00 0.00 N ATOM 705 CA LEU A 46 10.314 5.055 -1.178 1.00 0.00 C ATOM 706 C LEU A 46 9.250 4.103 -0.654 1.00 0.00 C ATOM 707 O LEU A 46 8.698 3.312 -1.421 1.00 0.00 O ATOM 708 CB LEU A 46 9.654 6.094 -2.102 1.00 0.00 C ATOM 709 CG LEU A 46 10.592 7.134 -2.724 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.793 8.077 -3.632 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.319 7.981 -1.681 1.00 0.00 C ATOM 0 H LEU A 46 10.885 3.588 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 46 10.806 5.623 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.147 5.564 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.887 6.620 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 46 11.339 6.576 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.465 8.814 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.317 7.501 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.029 8.587 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.968 8.699 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.589 8.515 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.920 7.334 -1.041 1.00 0.00 H new ATOM 723 N SER A 47 8.922 4.224 0.626 1.00 0.00 N ATOM 724 CA SER A 47 7.871 3.439 1.275 1.00 0.00 C ATOM 725 C SER A 47 6.976 4.393 2.068 1.00 0.00 C ATOM 726 O SER A 47 7.512 5.292 2.718 1.00 0.00 O ATOM 727 CB SER A 47 8.492 2.393 2.205 1.00 0.00 C ATOM 728 OG SER A 47 9.398 1.571 1.495 1.00 0.00 O ATOM 0 H SER A 47 9.384 4.880 1.256 1.00 0.00 H new ATOM 0 HA SER A 47 7.279 2.915 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.010 2.890 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.707 1.780 2.648 1.00 0.00 H new ATOM 0 HG SER A 47 9.787 0.910 2.105 1.00 0.00 H new ATOM 734 N PRO A 48 5.642 4.256 2.018 1.00 0.00 N ATOM 735 CA PRO A 48 4.744 5.228 2.625 1.00 0.00 C ATOM 736 C PRO A 48 4.822 5.201 4.152 1.00 0.00 C ATOM 737 O PRO A 48 5.083 4.166 4.773 1.00 0.00 O ATOM 738 CB PRO A 48 3.342 4.872 2.119 1.00 0.00 C ATOM 739 CG PRO A 48 3.442 3.382 1.790 1.00 0.00 C ATOM 740 CD PRO A 48 4.889 3.220 1.327 1.00 0.00 C ATOM 0 HA PRO A 48 5.018 6.246 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.582 5.065 2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.072 5.459 1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.227 2.763 2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.736 3.094 1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.270 2.229 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.969 3.333 0.246 1.00 0.00 H new ATOM 748 N LEU A 49 4.516 6.354 4.742 1.00 0.00 N ATOM 749 CA LEU A 49 4.351 6.568 6.181 1.00 0.00 C ATOM 750 C LEU A 49 2.944 7.110 6.435 1.00 0.00 C ATOM 751 O LEU A 49 2.286 6.719 7.398 1.00 0.00 O ATOM 752 CB LEU A 49 5.406 7.572 6.676 1.00 0.00 C ATOM 753 CG LEU A 49 6.847 7.034 6.628 1.00 0.00 C ATOM 754 CD1 LEU A 49 7.833 8.185 6.839 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.080 5.954 7.693 1.00 0.00 C ATOM 0 H LEU A 49 4.369 7.208 4.204 1.00 0.00 H new ATOM 0 HA LEU A 49 4.484 5.630 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.346 8.476 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.169 7.858 7.701 1.00 0.00 H new ATOM 0 HG LEU A 49 7.006 6.582 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.853 7.801 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.698 8.928 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.651 8.646 7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.108 5.597 7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.902 6.375 8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.396 5.122 7.524 1.00 0.00 H new ATOM 767 N GLN A 50 2.478 7.974 5.533 1.00 0.00 N ATOM 768 CA GLN A 50 1.110 8.459 5.398 1.00 0.00 C ATOM 769 C GLN A 50 0.941 8.858 3.924 1.00 0.00 C ATOM 770 O GLN A 50 1.892 8.745 3.146 1.00 0.00 O ATOM 771 CB GLN A 50 0.824 9.620 6.377 1.00 0.00 C ATOM 772 CG GLN A 50 1.873 10.742 6.350 1.00 0.00 C ATOM 773 CD GLN A 50 1.394 12.035 7.013 1.00 0.00 C ATOM 774 OE1 GLN A 50 0.759 12.028 8.065 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.683 13.176 6.407 1.00 0.00 N ATOM 0 H GLN A 50 3.093 8.381 4.828 1.00 0.00 H new ATOM 0 HA GLN A 50 0.382 7.692 5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.152 10.045 6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.763 9.220 7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.777 10.397 6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.144 10.951 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.211 13.170 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.378 14.061 6.813 1.00 0.00 H new ATOM 784 N ASN A 51 -0.235 9.360 3.534 1.00 0.00 N ATOM 785 CA ASN A 51 -0.544 9.719 2.143 1.00 0.00 C ATOM 786 C ASN A 51 0.514 10.626 1.500 1.00 0.00 C ATOM 787 O ASN A 51 0.777 10.499 0.304 1.00 0.00 O ATOM 788 CB ASN A 51 -1.917 10.405 2.072 1.00 0.00 C ATOM 789 CG ASN A 51 -2.238 10.854 0.647 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.676 10.059 -0.180 1.00 0.00 O ATOM 791 ND2 ASN A 51 -2.026 12.121 0.324 1.00 0.00 N ATOM 0 H ASN A 51 -1.007 9.531 4.179 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.551 8.787 1.577 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.688 9.718 2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.931 11.267 2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.227 12.447 -0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.662 12.771 1.021 1.00 0.00 H new ATOM 798 N ALA A 52 1.119 11.533 2.281 1.00 0.00 N ATOM 799 CA ALA A 52 2.000 12.576 1.804 1.00 0.00 C ATOM 800 C ALA A 52 3.371 12.555 2.491 1.00 0.00 C ATOM 801 O ALA A 52 4.056 13.570 2.438 1.00 0.00 O ATOM 802 CB ALA A 52 1.297 13.935 1.930 1.00 0.00 C ATOM 0 H ALA A 52 0.996 11.550 3.293 1.00 0.00 H new ATOM 0 HA ALA A 52 2.212 12.392 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.960 14.722 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.384 13.929 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.047 14.120 2.975 1.00 0.00 H new ATOM 808 N LEU A 53 3.800 11.457 3.126 1.00 0.00 N ATOM 809 CA LEU A 53 5.181 11.281 3.585 1.00 0.00 C ATOM 810 C LEU A 53 5.612 9.878 3.210 1.00 0.00 C ATOM 811 O LEU A 53 4.870 8.922 3.452 1.00 0.00 O ATOM 812 CB LEU A 53 5.380 11.432 5.105 1.00 0.00 C ATOM 813 CG LEU A 53 5.464 12.873 5.641 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.324 12.867 7.167 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.806 13.535 5.296 1.00 0.00 C ATOM 0 H LEU A 53 3.195 10.663 3.336 1.00 0.00 H new ATOM 0 HA LEU A 53 5.768 12.068 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.557 10.926 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.295 10.909 5.384 1.00 0.00 H new ATOM 0 HG LEU A 53 4.657 13.437 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.384 13.889 7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.362 12.435 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.127 12.273 7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.823 14.550 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.620 12.959 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.929 13.566 4.213 1.00 0.00 H new ATOM 827 N TYR A 54 6.827 9.758 2.687 1.00 0.00 N ATOM 828 CA TYR A 54 7.445 8.490 2.348 1.00 0.00 C ATOM 829 C TYR A 54 8.869 8.509 2.895 1.00 0.00 C ATOM 830 O TYR A 54 9.531 9.550 2.908 1.00 0.00 O ATOM 831 CB TYR A 54 7.455 8.260 0.824 1.00 0.00 C ATOM 832 CG TYR A 54 6.128 7.881 0.179 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.066 8.804 0.124 1.00 0.00 C ATOM 834 CD2 TYR A 54 5.967 6.611 -0.413 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.840 8.452 -0.465 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.750 6.256 -1.022 1.00 0.00 C ATOM 837 CZ TYR A 54 3.675 7.175 -1.042 1.00 0.00 C ATOM 838 OH TYR A 54 2.483 6.848 -1.618 1.00 0.00 O ATOM 0 H TYR A 54 7.421 10.562 2.484 1.00 0.00 H new ATOM 0 HA TYR A 54 6.875 7.672 2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.818 9.169 0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.177 7.474 0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.195 9.793 0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.785 5.906 -0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.024 9.159 -0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.636 5.282 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 54 2.530 5.935 -1.971 1.00 0.00 H new ATOM 848 N CYS A 55 9.318 7.341 3.347 1.00 0.00 N ATOM 849 CA CYS A 55 10.700 7.039 3.700 1.00 0.00 C ATOM 850 C CYS A 55 11.599 7.249 2.477 1.00 0.00 C ATOM 851 O CYS A 55 11.106 7.171 1.352 1.00 0.00 O ATOM 852 CB CYS A 55 10.811 5.557 4.099 1.00 0.00 C ATOM 853 SG CYS A 55 9.480 5.001 5.202 1.00 0.00 S ATOM 0 H CYS A 55 8.698 6.543 3.483 1.00 0.00 H new ATOM 0 HA CYS A 55 11.004 7.689 4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.804 4.945 3.197 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.771 5.392 4.589 1.00 0.00 H new ATOM 0 HG CYS A 55 8.367 4.924 4.534 1.00 0.00 H new ATOM 859 N ILE A 56 12.911 7.374 2.675 1.00 0.00 N ATOM 860 CA ILE A 56 13.908 7.365 1.608 1.00 0.00 C ATOM 861 C ILE A 56 14.863 6.196 1.857 1.00 0.00 C ATOM 862 O ILE A 56 15.103 5.779 2.994 1.00 0.00 O ATOM 863 CB ILE A 56 14.690 8.706 1.555 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.763 9.938 1.418 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.725 8.733 0.400 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.457 11.207 1.921 1.00 0.00 C ATOM 0 H ILE A 56 13.318 7.487 3.603 1.00 0.00 H new ATOM 0 HA ILE A 56 13.410 7.247 0.646 1.00 0.00 H new ATOM 0 HB ILE A 56 15.210 8.766 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.475 10.066 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.846 9.772 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.248 9.690 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.445 7.926 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.211 8.602 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.783 12.057 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.722 11.085 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.360 11.384 1.337 1.00 0.00 H new ATOM 878 N ASN A 57 15.472 5.735 0.768 1.00 0.00 N ATOM 879 CA ASN A 57 16.600 4.823 0.697 1.00 0.00 C ATOM 880 C ASN A 57 16.260 3.419 1.150 1.00 0.00 C ATOM 881 O ASN A 57 16.112 2.554 0.291 1.00 0.00 O ATOM 882 CB ASN A 57 17.827 5.381 1.445 1.00 0.00 C ATOM 883 CG ASN A 57 19.041 4.519 1.140 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.526 3.765 1.976 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.519 4.615 -0.084 1.00 0.00 N ATOM 0 H ASN A 57 15.160 6.015 -0.162 1.00 0.00 H new ATOM 0 HA ASN A 57 16.860 4.744 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.014 6.411 1.142 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.637 5.394 2.518 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.321 4.050 -0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.088 5.254 -0.751 1.00 0.00 H new ATOM 892 N ARG A 58 16.146 3.211 2.463 1.00 0.00 N ATOM 893 CA ARG A 58 15.838 1.960 3.141 1.00 0.00 C ATOM 894 C ARG A 58 15.312 2.226 4.562 1.00 0.00 C ATOM 895 O ARG A 58 15.080 1.257 5.285 1.00 0.00 O ATOM 896 CB ARG A 58 17.099 1.062 3.251 1.00 0.00 C ATOM 897 CG ARG A 58 17.688 0.549 1.928 1.00 0.00 C ATOM 898 CD ARG A 58 18.791 -0.486 2.185 1.00 0.00 C ATOM 899 NE ARG A 58 19.395 -0.959 0.926 1.00 0.00 N ATOM 900 CZ ARG A 58 18.940 -1.947 0.144 1.00 0.00 C ATOM 901 NH1 ARG A 58 17.838 -2.623 0.468 1.00 0.00 N ATOM 902 NH2 ARG A 58 19.596 -2.260 -0.969 1.00 0.00 N ATOM 0 H ARG A 58 16.278 3.974 3.127 1.00 0.00 H new ATOM 0 HA ARG A 58 15.075 1.453 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 58 17.873 1.622 3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 58 16.852 0.201 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 58 16.899 0.103 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 58 18.093 1.385 1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.563 -0.047 2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 58 18.376 -1.333 2.731 1.00 0.00 H new ATOM 0 HE ARG A 58 20.245 -0.486 0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 58 17.329 -2.390 1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 58 17.503 -3.373 -0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 58 20.441 -1.749 -1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 58 19.254 -3.011 -1.568 1.00 0.00 H new ATOM 916 N GLU A 59 15.150 3.481 5.009 1.00 0.00 N ATOM 917 CA GLU A 59 14.906 3.774 6.422 1.00 0.00 C ATOM 918 C GLU A 59 13.867 4.877 6.613 1.00 0.00 C ATOM 919 O GLU A 59 13.796 5.839 5.849 1.00 0.00 O ATOM 920 CB GLU A 59 16.234 4.101 7.129 1.00 0.00 C ATOM 921 CG GLU A 59 16.919 5.402 6.672 1.00 0.00 C ATOM 922 CD GLU A 59 18.319 5.531 7.298 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.426 5.816 8.512 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.328 5.330 6.583 1.00 0.00 O ATOM 0 H GLU A 59 15.184 4.306 4.410 1.00 0.00 H new ATOM 0 HA GLU A 59 14.482 2.883 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.050 4.164 8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.924 3.272 6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.999 5.414 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.308 6.259 6.956 1.00 0.00 H new ATOM 931 N LYS A 60 13.059 4.725 7.666 1.00 0.00 N ATOM 932 CA LYS A 60 11.905 5.579 7.944 1.00 0.00 C ATOM 933 C LYS A 60 12.297 6.996 8.352 1.00 0.00 C ATOM 934 O LYS A 60 11.494 7.910 8.186 1.00 0.00 O ATOM 935 CB LYS A 60 11.024 4.957 9.045 1.00 0.00 C ATOM 936 CG LYS A 60 10.462 3.575 8.667 1.00 0.00 C ATOM 937 CD LYS A 60 9.434 3.045 9.680 1.00 0.00 C ATOM 938 CE LYS A 60 10.056 2.784 11.061 1.00 0.00 C ATOM 939 NZ LYS A 60 9.075 2.216 12.019 1.00 0.00 N ATOM 0 H LYS A 60 13.193 3.991 8.361 1.00 0.00 H new ATOM 0 HA LYS A 60 11.346 5.648 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.609 4.866 9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.196 5.631 9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.996 3.635 7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.285 2.864 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.622 3.765 9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.997 2.121 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.897 2.099 10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.454 3.717 11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.538 2.056 12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.284 2.881 12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.714 1.313 11.652 1.00 0.00 H new ATOM 953 N LEU A 61 13.492 7.177 8.926 1.00 0.00 N ATOM 954 CA LEU A 61 13.902 8.448 9.513 1.00 0.00 C ATOM 955 C LEU A 61 14.048 9.521 8.443 1.00 0.00 C ATOM 956 O LEU A 61 13.683 10.674 8.664 1.00 0.00 O ATOM 957 CB LEU A 61 15.245 8.304 10.253 1.00 0.00 C ATOM 958 CG LEU A 61 15.299 7.205 11.328 1.00 0.00 C ATOM 959 CD1 LEU A 61 16.667 7.237 12.009 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.180 7.353 12.363 1.00 0.00 C ATOM 0 H LEU A 61 14.198 6.444 8.994 1.00 0.00 H new ATOM 0 HA LEU A 61 13.126 8.742 10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.025 8.106 9.518 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.484 9.258 10.722 1.00 0.00 H new ATOM 0 HG LEU A 61 15.149 6.242 10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.712 6.460 12.772 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.447 7.063 11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.820 8.211 12.473 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.259 6.555 13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.270 8.318 12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.213 7.291 11.864 1.00 0.00 H new ATOM 972 N HIS A 62 14.608 9.137 7.297 1.00 0.00 N ATOM 973 CA HIS A 62 14.835 10.031 6.175 1.00 0.00 C ATOM 974 C HIS A 62 13.537 10.092 5.371 1.00 0.00 C ATOM 975 O HIS A 62 13.058 9.043 4.941 1.00 0.00 O ATOM 976 CB HIS A 62 15.999 9.503 5.321 1.00 0.00 C ATOM 977 CG HIS A 62 17.333 9.375 6.028 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.463 8.790 5.499 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.668 9.821 7.281 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.447 8.880 6.410 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.011 9.506 7.518 1.00 0.00 N ATOM 0 H HIS A 62 14.919 8.181 7.125 1.00 0.00 H new ATOM 0 HA HIS A 62 15.106 11.032 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.722 8.524 4.929 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.126 10.165 4.465 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.008 10.329 7.968 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.449 8.502 6.272 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.550 9.710 8.360 1.00 0.00 H new ATOM 989 N THR A 63 12.964 11.278 5.154 1.00 0.00 N ATOM 990 CA THR A 63 11.637 11.416 4.576 1.00 0.00 C ATOM 991 C THR A 63 11.573 12.465 3.459 1.00 0.00 C ATOM 992 O THR A 63 12.291 13.473 3.463 1.00 0.00 O ATOM 993 CB THR A 63 10.655 11.772 5.705 1.00 0.00 C ATOM 994 OG1 THR A 63 11.154 12.857 6.472 1.00 0.00 O ATOM 995 CG2 THR A 63 10.456 10.588 6.651 1.00 0.00 C ATOM 0 H THR A 63 13.412 12.167 5.376 1.00 0.00 H new ATOM 0 HA THR A 63 11.368 10.468 4.110 1.00 0.00 H new ATOM 0 HB THR A 63 9.708 12.038 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.518 13.073 7.185 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.757 10.866 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.056 9.741 6.094 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.413 10.312 7.094 1.00 0.00 H new ATOM 1003 N VAL A 64 10.660 12.228 2.519 1.00 0.00 N ATOM 1004 CA VAL A 64 10.207 13.163 1.498 1.00 0.00 C ATOM 1005 C VAL A 64 8.714 13.368 1.751 1.00 0.00 C ATOM 1006 O VAL A 64 8.029 12.452 2.215 1.00 0.00 O ATOM 1007 CB VAL A 64 10.429 12.622 0.068 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.799 13.026 -0.467 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.227 11.111 -0.086 1.00 0.00 C ATOM 0 H VAL A 64 10.191 11.325 2.448 1.00 0.00 H new ATOM 0 HA VAL A 64 10.773 14.092 1.562 1.00 0.00 H new ATOM 0 HB VAL A 64 9.646 13.089 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.927 12.631 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.874 14.113 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.576 12.623 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.404 10.824 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.927 10.583 0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.206 10.850 0.193 1.00 0.00 H new ATOM 1019 N LYS A 65 8.205 14.552 1.420 1.00 0.00 N ATOM 1020 CA LYS A 65 6.832 14.974 1.670 1.00 0.00 C ATOM 1021 C LYS A 65 6.197 15.215 0.308 1.00 0.00 C ATOM 1022 O LYS A 65 6.738 16.005 -0.460 1.00 0.00 O ATOM 1023 CB LYS A 65 6.861 16.220 2.585 1.00 0.00 C ATOM 1024 CG LYS A 65 5.497 16.614 3.177 1.00 0.00 C ATOM 1025 CD LYS A 65 4.623 17.448 2.226 1.00 0.00 C ATOM 1026 CE LYS A 65 3.147 17.363 2.635 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.251 17.905 1.583 1.00 0.00 N ATOM 0 H LYS A 65 8.759 15.270 0.953 1.00 0.00 H new ATOM 0 HA LYS A 65 6.233 14.229 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.558 16.037 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.252 17.063 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.956 15.709 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.660 17.179 4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.951 18.488 2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.744 17.089 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.885 16.324 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.994 17.915 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.261 17.723 1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.402 18.930 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.461 17.442 0.676 1.00 0.00 H new ATOM 1041 N VAL A 66 5.103 14.532 -0.029 1.00 0.00 N ATOM 1042 CA VAL A 66 4.561 14.582 -1.388 1.00 0.00 C ATOM 1043 C VAL A 66 3.836 15.912 -1.600 1.00 0.00 C ATOM 1044 O VAL A 66 3.164 16.413 -0.692 1.00 0.00 O ATOM 1045 CB VAL A 66 3.659 13.362 -1.677 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.240 13.309 -3.158 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.385 12.046 -1.347 1.00 0.00 C ATOM 0 H VAL A 66 4.577 13.941 0.615 1.00 0.00 H new ATOM 0 HA VAL A 66 5.380 14.528 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 66 2.777 13.474 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.606 12.438 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.688 14.214 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.129 13.237 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.727 11.204 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.286 11.965 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.658 12.036 -0.292 1.00 0.00 H new ATOM 1057 N LEU A 67 3.949 16.463 -2.811 1.00 0.00 N ATOM 1058 CA LEU A 67 3.315 17.714 -3.209 1.00 0.00 C ATOM 1059 C LEU A 67 2.362 17.462 -4.378 1.00 0.00 C ATOM 1060 O LEU A 67 1.210 17.893 -4.312 1.00 0.00 O ATOM 1061 CB LEU A 67 4.394 18.740 -3.600 1.00 0.00 C ATOM 1062 CG LEU A 67 5.399 19.072 -2.479 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.551 19.888 -3.065 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.752 19.844 -1.324 1.00 0.00 C ATOM 0 H LEU A 67 4.499 16.038 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 67 2.740 18.114 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.943 18.360 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.904 19.661 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 67 5.766 18.130 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.266 20.126 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.048 19.309 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.162 20.812 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.502 20.053 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.343 20.783 -1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.950 19.246 -0.891 1.00 0.00 H new ATOM 1076 N SER A 68 2.809 16.718 -5.396 1.00 0.00 N ATOM 1077 CA SER A 68 2.047 16.385 -6.602 1.00 0.00 C ATOM 1078 C SER A 68 2.634 15.105 -7.203 1.00 0.00 C ATOM 1079 O SER A 68 3.795 14.788 -6.938 1.00 0.00 O ATOM 1080 CB SER A 68 2.173 17.512 -7.646 1.00 0.00 C ATOM 1081 OG SER A 68 1.782 18.782 -7.146 1.00 0.00 O ATOM 0 H SER A 68 3.747 16.317 -5.401 1.00 0.00 H new ATOM 0 HA SER A 68 0.997 16.255 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.206 17.566 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.560 17.266 -8.513 1.00 0.00 H new ATOM 0 HG SER A 68 1.884 19.456 -7.850 1.00 0.00 H new ATOM 1087 N ALA A 69 1.886 14.391 -8.047 1.00 0.00 N ATOM 1088 CA ALA A 69 2.413 13.286 -8.844 1.00 0.00 C ATOM 1089 C ALA A 69 1.528 13.047 -10.068 1.00 0.00 C ATOM 1090 O ALA A 69 0.359 13.445 -10.080 1.00 0.00 O ATOM 1091 CB ALA A 69 2.498 12.015 -7.987 1.00 0.00 C ATOM 0 H ALA A 69 0.892 14.566 -8.196 1.00 0.00 H new ATOM 0 HA ALA A 69 3.415 13.544 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.892 11.196 -8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.159 12.192 -7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.504 11.753 -7.625 1.00 0.00 H new ATOM 1097 N SER A 70 2.079 12.368 -11.073 1.00 0.00 N ATOM 1098 CA SER A 70 1.382 11.991 -12.300 1.00 0.00 C ATOM 1099 C SER A 70 2.079 10.795 -12.955 1.00 0.00 C ATOM 1100 O SER A 70 3.289 10.624 -12.812 1.00 0.00 O ATOM 1101 CB SER A 70 1.326 13.194 -13.263 1.00 0.00 C ATOM 1102 OG SER A 70 2.539 13.939 -13.326 1.00 0.00 O ATOM 0 H SER A 70 3.050 12.057 -11.055 1.00 0.00 H new ATOM 0 HA SER A 70 0.360 11.698 -12.058 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.078 12.836 -14.262 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.519 13.858 -12.953 1.00 0.00 H new ATOM 0 HG SER A 70 2.433 14.684 -13.954 1.00 0.00 H new ATOM 1108 N SER A 71 1.332 9.967 -13.689 1.00 0.00 N ATOM 1109 CA SER A 71 1.879 8.915 -14.542 1.00 0.00 C ATOM 1110 C SER A 71 2.912 9.511 -15.512 1.00 0.00 C ATOM 1111 O SER A 71 2.764 10.658 -15.944 1.00 0.00 O ATOM 1112 CB SER A 71 0.734 8.234 -15.304 1.00 0.00 C ATOM 1113 OG SER A 71 -0.315 7.873 -14.416 1.00 0.00 O ATOM 0 H SER A 71 0.313 10.011 -13.706 1.00 0.00 H new ATOM 0 HA SER A 71 2.384 8.167 -13.930 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.352 8.906 -16.072 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.107 7.346 -15.814 1.00 0.00 H new ATOM 0 HG SER A 71 -1.036 7.442 -14.920 1.00 0.00 H new ATOM 1119 N TYR A 72 3.970 8.759 -15.835 1.00 0.00 N ATOM 1120 CA TYR A 72 5.089 9.314 -16.586 1.00 0.00 C ATOM 1121 C TYR A 72 4.663 9.726 -17.996 1.00 0.00 C ATOM 1122 O TYR A 72 4.012 8.956 -18.709 1.00 0.00 O ATOM 1123 CB TYR A 72 6.267 8.334 -16.653 1.00 0.00 C ATOM 1124 CG TYR A 72 7.357 8.771 -17.619 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.220 9.832 -17.286 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.461 8.163 -18.887 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.197 10.270 -18.199 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.429 8.602 -19.808 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.309 9.653 -19.465 1.00 0.00 C ATOM 1130 OH TYR A 72 10.258 10.053 -20.357 1.00 0.00 O ATOM 0 H TYR A 72 4.070 7.774 -15.589 1.00 0.00 H new ATOM 0 HA TYR A 72 5.419 10.205 -16.052 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.696 8.224 -15.657 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.898 7.353 -16.952 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.132 10.313 -16.323 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.794 7.356 -19.152 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.862 11.078 -17.932 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.500 8.135 -20.779 1.00 0.00 H new ATOM 0 HH TYR A 72 10.187 9.516 -21.173 1.00 0.00 H new ATOM 1140 N SER A 73 5.125 10.910 -18.395 1.00 0.00 N ATOM 1141 CA SER A 73 5.092 11.426 -19.749 1.00 0.00 C ATOM 1142 C SER A 73 6.354 12.287 -19.886 1.00 0.00 C ATOM 1143 O SER A 73 6.683 12.987 -18.924 1.00 0.00 O ATOM 1144 CB SER A 73 3.851 12.298 -19.976 1.00 0.00 C ATOM 1145 OG SER A 73 2.639 11.684 -19.589 1.00 0.00 O ATOM 0 H SER A 73 5.554 11.565 -17.742 1.00 0.00 H new ATOM 0 HA SER A 73 5.054 10.616 -20.478 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.968 13.229 -19.422 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.792 12.561 -21.032 1.00 0.00 H new ATOM 0 HG SER A 73 2.013 12.367 -19.270 1.00 0.00 H new ATOM 1151 N PRO A 74 7.055 12.290 -21.031 1.00 0.00 N ATOM 1152 CA PRO A 74 8.308 13.029 -21.171 1.00 0.00 C ATOM 1153 C PRO A 74 8.113 14.535 -20.974 1.00 0.00 C ATOM 1154 O PRO A 74 8.881 15.179 -20.261 1.00 0.00 O ATOM 1155 CB PRO A 74 8.829 12.708 -22.576 1.00 0.00 C ATOM 1156 CG PRO A 74 7.635 12.115 -23.325 1.00 0.00 C ATOM 1157 CD PRO A 74 6.768 11.513 -22.225 1.00 0.00 C ATOM 0 HA PRO A 74 9.023 12.732 -20.404 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.198 13.605 -23.073 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.658 12.002 -22.536 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.096 12.879 -23.884 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.951 11.358 -24.043 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.711 11.569 -22.484 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.003 10.460 -22.073 1.00 0.00 H new ATOM 1165 N ASP A 75 7.066 15.089 -21.586 1.00 0.00 N ATOM 1166 CA ASP A 75 6.745 16.510 -21.486 1.00 0.00 C ATOM 1167 C ASP A 75 6.419 16.894 -20.045 1.00 0.00 C ATOM 1168 O ASP A 75 6.971 17.862 -19.524 1.00 0.00 O ATOM 1169 CB ASP A 75 5.563 16.832 -22.409 1.00 0.00 C ATOM 1170 CG ASP A 75 5.072 18.274 -22.215 1.00 0.00 C ATOM 1171 OD1 ASP A 75 5.758 19.214 -22.674 1.00 0.00 O ATOM 1172 OD2 ASP A 75 3.980 18.457 -21.635 1.00 0.00 O ATOM 0 H ASP A 75 6.415 14.561 -22.167 1.00 0.00 H new ATOM 0 HA ASP A 75 7.613 17.091 -21.797 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.861 16.685 -23.447 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.746 16.139 -22.210 1.00 0.00 H new ATOM 1177 N GLU A 76 5.565 16.110 -19.379 1.00 0.00 N ATOM 1178 CA GLU A 76 5.142 16.389 -18.007 1.00 0.00 C ATOM 1179 C GLU A 76 6.309 16.216 -17.029 1.00 0.00 C ATOM 1180 O GLU A 76 6.371 16.926 -16.024 1.00 0.00 O ATOM 1181 CB GLU A 76 3.966 15.489 -17.591 1.00 0.00 C ATOM 1182 CG GLU A 76 2.719 15.711 -18.460 1.00 0.00 C ATOM 1183 CD GLU A 76 1.538 14.833 -18.010 1.00 0.00 C ATOM 1184 OE1 GLU A 76 0.765 15.255 -17.118 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.354 13.729 -18.572 1.00 0.00 O ATOM 0 H GLU A 76 5.150 15.267 -19.776 1.00 0.00 H new ATOM 0 HA GLU A 76 4.808 17.426 -17.973 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.271 14.445 -17.658 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.717 15.682 -16.548 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.428 16.760 -18.415 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.958 15.491 -19.500 1.00 0.00 H new ATOM 1192 N TRP A 77 7.228 15.291 -17.311 1.00 0.00 N ATOM 1193 CA TRP A 77 8.447 15.102 -16.544 1.00 0.00 C ATOM 1194 C TRP A 77 9.290 16.367 -16.638 1.00 0.00 C ATOM 1195 O TRP A 77 9.619 16.955 -15.607 1.00 0.00 O ATOM 1196 CB TRP A 77 9.189 13.857 -17.062 1.00 0.00 C ATOM 1197 CG TRP A 77 10.616 13.682 -16.637 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.076 13.750 -15.371 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.793 13.453 -17.471 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.445 13.574 -15.359 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.947 13.424 -16.632 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.009 13.296 -18.858 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.246 13.283 -17.146 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.306 13.143 -19.384 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.426 13.148 -18.532 1.00 0.00 C ATOM 0 H TRP A 77 7.138 14.644 -18.094 1.00 0.00 H new ATOM 0 HA TRP A 77 8.224 14.929 -15.491 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.632 12.976 -16.745 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.161 13.876 -18.151 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.464 13.917 -14.497 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.014 13.557 -14.512 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.162 13.293 -19.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.098 13.278 -16.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.442 13.021 -20.448 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.420 13.048 -18.943 1.00 0.00 H new ATOM 1216 N GLU A 78 9.615 16.825 -17.850 1.00 0.00 N ATOM 1217 CA GLU A 78 10.560 17.923 -18.003 1.00 0.00 C ATOM 1218 C GLU A 78 9.976 19.248 -17.528 1.00 0.00 C ATOM 1219 O GLU A 78 10.687 20.048 -16.918 1.00 0.00 O ATOM 1220 CB GLU A 78 11.081 17.997 -19.441 1.00 0.00 C ATOM 1221 CG GLU A 78 11.981 16.790 -19.749 1.00 0.00 C ATOM 1222 CD GLU A 78 12.657 16.920 -21.125 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.049 16.555 -22.157 1.00 0.00 O ATOM 1224 OE2 GLU A 78 13.817 17.387 -21.192 1.00 0.00 O ATOM 0 H GLU A 78 9.242 16.456 -18.725 1.00 0.00 H new ATOM 0 HA GLU A 78 11.415 17.720 -17.358 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.243 18.020 -20.137 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.640 18.921 -19.585 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.744 16.698 -18.976 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.387 15.877 -19.720 1.00 0.00 H new ATOM 1231 N ARG A 79 8.671 19.451 -17.712 1.00 0.00 N ATOM 1232 CA ARG A 79 7.945 20.566 -17.118 1.00 0.00 C ATOM 1233 C ARG A 79 8.135 20.582 -15.607 1.00 0.00 C ATOM 1234 O ARG A 79 8.528 21.609 -15.058 1.00 0.00 O ATOM 1235 CB ARG A 79 6.465 20.422 -17.477 1.00 0.00 C ATOM 1236 CG ARG A 79 6.170 20.972 -18.882 1.00 0.00 C ATOM 1237 CD ARG A 79 4.840 20.458 -19.439 1.00 0.00 C ATOM 1238 NE ARG A 79 3.668 20.852 -18.638 1.00 0.00 N ATOM 1239 CZ ARG A 79 2.434 20.362 -18.815 1.00 0.00 C ATOM 1240 NH1 ARG A 79 2.188 19.470 -19.772 1.00 0.00 N ATOM 1241 NH2 ARG A 79 1.444 20.771 -18.027 1.00 0.00 N ATOM 0 H ARG A 79 8.087 18.840 -18.282 1.00 0.00 H new ATOM 0 HA ARG A 79 8.328 21.510 -17.507 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.178 19.371 -17.429 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.858 20.952 -16.743 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.150 22.061 -18.847 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.978 20.690 -19.557 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.715 20.830 -20.456 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.878 19.370 -19.499 1.00 0.00 H new ATOM 0 HE ARG A 79 3.805 21.543 -17.900 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.943 19.153 -20.380 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.244 19.104 -19.897 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.626 21.455 -17.292 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.502 20.401 -18.157 1.00 0.00 H new ATOM 1255 N GLN A 80 7.902 19.459 -14.925 1.00 0.00 N ATOM 1256 CA GLN A 80 8.093 19.399 -13.484 1.00 0.00 C ATOM 1257 C GLN A 80 9.567 19.648 -13.132 1.00 0.00 C ATOM 1258 O GLN A 80 9.839 20.351 -12.160 1.00 0.00 O ATOM 1259 CB GLN A 80 7.539 18.079 -12.918 1.00 0.00 C ATOM 1260 CG GLN A 80 6.001 18.060 -12.970 1.00 0.00 C ATOM 1261 CD GLN A 80 5.393 16.700 -12.622 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.173 16.375 -11.457 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.085 15.892 -13.625 1.00 0.00 N ATOM 0 H GLN A 80 7.583 18.587 -15.348 1.00 0.00 H new ATOM 0 HA GLN A 80 7.523 20.195 -13.005 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.936 17.239 -13.488 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.873 17.952 -11.888 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.613 18.809 -12.280 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.676 18.349 -13.970 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.274 16.177 -14.586 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.659 14.985 -13.437 1.00 0.00 H new ATOM 1272 N CYS A 81 10.523 19.167 -13.939 1.00 0.00 N ATOM 1273 CA CYS A 81 11.947 19.347 -13.670 1.00 0.00 C ATOM 1274 C CYS A 81 12.331 20.826 -13.619 1.00 0.00 C ATOM 1275 O CYS A 81 13.096 21.207 -12.733 1.00 0.00 O ATOM 1276 CB CYS A 81 12.818 18.641 -14.716 1.00 0.00 C ATOM 1277 SG CYS A 81 12.590 16.847 -14.639 1.00 0.00 S ATOM 0 H CYS A 81 10.327 18.645 -14.793 1.00 0.00 H new ATOM 0 HA CYS A 81 12.130 18.897 -12.694 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.562 19.002 -15.712 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.867 18.886 -14.548 1.00 0.00 H new ATOM 0 HG CYS A 81 11.372 16.549 -14.982 1.00 0.00 H new