USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=21 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 -56:sc= 0 USER MOD Set 1.2: A 81 CYS SG : rot 78:sc= 0.555 USER MOD Set 2.1: A 11 ASN : amide:sc= -1.7! C(o=-2.1!,f=-7.9!) USER MOD Set 2.2: A 17 HIS : no HE2:sc= -0.441 X(o=-2.1,f=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0.673 (180deg=0.576) 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= -0.386 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0244 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 1.52 K(o=1.5,f=-9.2!) USER MOD Single : A 15 ASN : amide:sc= 1.75 K(o=1.7,f=-0.0023) USER MOD Single : A 20 MET CE :methyl 176:sc= -0.292 (180deg=-0.345) USER MOD Single : A 22 CYS SG : rot 72:sc= -1.33 USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= 1.15 (180deg=0.771) USER MOD Single : A 30 MET CE :methyl -165:sc= 0 (180deg=-0.502) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -143:sc= 1.33 USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= 2.23 (180deg=1.84) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 51 ASN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 72:sc= -0.295 USER MOD Single : A 57 ASN : amide:sc= -0.363! X(o=-0.36!,f=-0.071) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.122 X(o=-0.12,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 5:sc= 1.03 USER MOD Single : A 70 SER OG : rot 12:sc= 0.844 USER MOD Single : A 71 SER OG : rot 180:sc= 0.015 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.549 -0.856 -1.110 1.00 0.00 N ATOM 2 CA MET A 1 3.240 -0.430 -2.347 1.00 0.00 C ATOM 3 C MET A 1 4.388 0.499 -1.970 1.00 0.00 C ATOM 4 O MET A 1 4.202 1.461 -1.221 1.00 0.00 O ATOM 5 CB MET A 1 2.294 0.237 -3.366 1.00 0.00 C ATOM 6 CG MET A 1 3.018 0.590 -4.678 1.00 0.00 C ATOM 7 SD MET A 1 3.736 -0.816 -5.572 1.00 0.00 S ATOM 8 CE MET A 1 4.515 0.084 -6.941 1.00 0.00 C ATOM 0 H1 MET A 1 1.901 -1.640 -1.327 1.00 0.00 H new ATOM 0 H2 MET A 1 3.252 -1.171 -0.411 1.00 0.00 H new ATOM 0 H3 MET A 1 2.008 -0.057 -0.722 1.00 0.00 H new ATOM 0 HA MET A 1 3.626 -1.319 -2.845 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.461 -0.433 -3.580 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.871 1.142 -2.930 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.313 1.097 -5.337 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.813 1.301 -4.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.013 -0.623 -7.605 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.753 0.630 -7.498 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.248 0.787 -6.544 1.00 0.00 H new ATOM 20 N GLU A 2 5.578 0.219 -2.497 1.00 0.00 N ATOM 21 CA GLU A 2 6.797 0.974 -2.270 1.00 0.00 C ATOM 22 C GLU A 2 7.388 1.211 -3.659 1.00 0.00 C ATOM 23 O GLU A 2 7.177 0.396 -4.565 1.00 0.00 O ATOM 24 CB GLU A 2 7.763 0.192 -1.361 1.00 0.00 C ATOM 25 CG GLU A 2 7.164 -0.215 -0.001 1.00 0.00 C ATOM 26 CD GLU A 2 6.346 -1.525 -0.041 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.946 -2.614 -0.191 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.104 -1.485 0.116 1.00 0.00 O ATOM 0 H GLU A 2 5.719 -0.576 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 2 6.609 1.917 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.089 -0.707 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.651 0.799 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.972 -0.325 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.523 0.590 0.358 1.00 0.00 H new ATOM 35 N TRP A 3 8.114 2.312 -3.838 1.00 0.00 N ATOM 36 CA TRP A 3 8.529 2.777 -5.151 1.00 0.00 C ATOM 37 C TRP A 3 10.046 2.887 -5.201 1.00 0.00 C ATOM 38 O TRP A 3 10.700 3.018 -4.166 1.00 0.00 O ATOM 39 CB TRP A 3 7.851 4.123 -5.460 1.00 0.00 C ATOM 40 CG TRP A 3 6.353 4.133 -5.359 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.647 4.342 -4.225 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.355 3.911 -6.404 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.296 4.243 -4.486 1.00 0.00 N ATOM 44 CE2 TRP A 3 4.056 3.969 -5.815 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.412 3.666 -7.793 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.883 3.773 -6.561 1.00 0.00 C ATOM 47 CZ3 TRP A 3 4.244 3.463 -8.553 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.981 3.512 -7.937 1.00 0.00 C ATOM 0 H TRP A 3 8.430 2.906 -3.071 1.00 0.00 H new ATOM 0 HA TRP A 3 8.221 2.062 -5.914 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.248 4.875 -4.778 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.131 4.428 -6.468 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.077 4.555 -3.258 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.566 4.358 -3.783 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.373 3.633 -8.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.916 3.822 -6.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.319 3.269 -9.613 1.00 0.00 H new ATOM 0 HH2 TRP A 3 2.088 3.349 -8.521 1.00 0.00 H new ATOM 59 N LEU A 4 10.597 2.864 -6.409 1.00 0.00 N ATOM 60 CA LEU A 4 12.011 3.014 -6.696 1.00 0.00 C ATOM 61 C LEU A 4 12.187 4.352 -7.395 1.00 0.00 C ATOM 62 O LEU A 4 11.508 4.646 -8.377 1.00 0.00 O ATOM 63 CB LEU A 4 12.462 1.862 -7.600 1.00 0.00 C ATOM 64 CG LEU A 4 13.937 1.880 -8.043 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.904 1.643 -6.879 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.154 0.784 -9.094 1.00 0.00 C ATOM 0 H LEU A 4 10.039 2.734 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 4 12.613 2.987 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.273 0.924 -7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.837 1.862 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 4 14.145 2.870 -8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.930 1.666 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.770 2.424 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.701 0.671 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.196 0.788 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.911 -0.187 -8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.509 0.971 -9.953 1.00 0.00 H new ATOM 78 N VAL A 5 13.104 5.150 -6.878 1.00 0.00 N ATOM 79 CA VAL A 5 13.597 6.366 -7.509 1.00 0.00 C ATOM 80 C VAL A 5 14.533 5.877 -8.601 1.00 0.00 C ATOM 81 O VAL A 5 15.598 5.336 -8.272 1.00 0.00 O ATOM 82 CB VAL A 5 14.351 7.265 -6.503 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.760 8.593 -7.157 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.496 7.564 -5.261 1.00 0.00 C ATOM 0 H VAL A 5 13.543 4.965 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 5 12.783 6.978 -7.898 1.00 0.00 H new ATOM 0 HB VAL A 5 15.242 6.718 -6.195 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.289 9.209 -6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.412 8.394 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.869 9.120 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.059 8.198 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.583 8.076 -5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.240 6.629 -4.762 1.00 0.00 H new ATOM 94 N LYS A 6 14.121 6.069 -9.861 1.00 0.00 N ATOM 95 CA LYS A 6 14.885 5.721 -11.068 1.00 0.00 C ATOM 96 C LYS A 6 15.528 6.952 -11.714 1.00 0.00 C ATOM 97 O LYS A 6 16.504 6.796 -12.442 1.00 0.00 O ATOM 98 CB LYS A 6 13.966 5.022 -12.081 1.00 0.00 C ATOM 99 CG LYS A 6 13.761 3.526 -11.771 1.00 0.00 C ATOM 100 CD LYS A 6 14.658 2.581 -12.587 1.00 0.00 C ATOM 101 CE LYS A 6 16.157 2.928 -12.525 1.00 0.00 C ATOM 102 NZ LYS A 6 16.994 1.938 -13.251 1.00 0.00 N ATOM 0 H LYS A 6 13.215 6.485 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 6 15.688 5.048 -10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.997 5.522 -12.091 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.389 5.126 -13.080 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.947 3.358 -10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.718 3.268 -11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.517 1.562 -12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.335 2.599 -13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.317 3.918 -12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.474 2.975 -11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.995 2.213 -13.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.863 0.997 -12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.711 1.911 -14.251 1.00 0.00 H new ATOM 116 N LYS A 7 15.015 8.157 -11.447 1.00 0.00 N ATOM 117 CA LYS A 7 15.582 9.454 -11.824 1.00 0.00 C ATOM 118 C LYS A 7 15.206 10.418 -10.702 1.00 0.00 C ATOM 119 O LYS A 7 14.185 10.209 -10.040 1.00 0.00 O ATOM 120 CB LYS A 7 15.064 9.959 -13.186 1.00 0.00 C ATOM 121 CG LYS A 7 15.680 9.199 -14.370 1.00 0.00 C ATOM 122 CD LYS A 7 15.151 9.695 -15.722 1.00 0.00 C ATOM 123 CE LYS A 7 15.651 8.799 -16.866 1.00 0.00 C ATOM 124 NZ LYS A 7 17.091 8.999 -17.176 1.00 0.00 N ATOM 0 H LYS A 7 14.141 8.258 -10.931 1.00 0.00 H new ATOM 0 HA LYS A 7 16.662 9.372 -11.946 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.979 9.857 -13.218 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.288 11.021 -13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.764 9.309 -14.345 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.465 8.135 -14.267 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.061 9.703 -15.710 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.476 10.722 -15.890 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.484 7.755 -16.601 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.062 8.999 -17.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.369 8.368 -17.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.252 9.987 -17.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.661 8.782 -16.334 1.00 0.00 H new ATOM 138 N SER A 8 16.001 11.458 -10.494 1.00 0.00 N ATOM 139 CA SER A 8 15.848 12.444 -9.433 1.00 0.00 C ATOM 140 C SER A 8 16.330 13.794 -9.977 1.00 0.00 C ATOM 141 O SER A 8 17.182 13.840 -10.870 1.00 0.00 O ATOM 142 CB SER A 8 16.656 11.980 -8.208 1.00 0.00 C ATOM 143 OG SER A 8 17.887 11.366 -8.577 1.00 0.00 O ATOM 0 H SER A 8 16.808 11.646 -11.088 1.00 0.00 H new ATOM 0 HA SER A 8 14.810 12.552 -9.117 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.857 12.835 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.060 11.276 -7.627 1.00 0.00 H new ATOM 0 HG SER A 8 18.632 11.951 -8.326 1.00 0.00 H new ATOM 149 N CYS A 9 15.793 14.889 -9.440 1.00 0.00 N ATOM 150 CA CYS A 9 16.038 16.251 -9.888 1.00 0.00 C ATOM 151 C CYS A 9 16.323 17.085 -8.640 1.00 0.00 C ATOM 152 O CYS A 9 15.399 17.537 -7.957 1.00 0.00 O ATOM 153 CB CYS A 9 14.827 16.747 -10.696 1.00 0.00 C ATOM 154 SG CYS A 9 15.188 18.345 -11.474 1.00 0.00 S ATOM 0 H CYS A 9 15.150 14.845 -8.649 1.00 0.00 H new ATOM 0 HA CYS A 9 16.896 16.327 -10.556 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.569 16.014 -11.461 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.961 16.843 -10.041 1.00 0.00 H new ATOM 0 HG CYS A 9 15.546 19.200 -10.563 1.00 0.00 H new ATOM 160 N CYS A 10 17.611 17.206 -8.305 1.00 0.00 N ATOM 161 CA CYS A 10 18.101 18.024 -7.202 1.00 0.00 C ATOM 162 C CYS A 10 17.724 19.494 -7.427 1.00 0.00 C ATOM 163 O CYS A 10 17.661 19.955 -8.570 1.00 0.00 O ATOM 164 CB CYS A 10 19.626 17.875 -7.087 1.00 0.00 C ATOM 165 SG CYS A 10 20.094 16.124 -6.909 1.00 0.00 S ATOM 0 H CYS A 10 18.356 16.724 -8.808 1.00 0.00 H new ATOM 0 HA CYS A 10 17.641 17.687 -6.273 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.105 18.296 -7.971 1.00 0.00 H new ATOM 0 HB3 CYS A 10 19.987 18.442 -6.229 1.00 0.00 H new ATOM 0 HG CYS A 10 21.387 16.028 -6.816 1.00 0.00 H new ATOM 171 N ASN A 11 17.519 20.242 -6.340 1.00 0.00 N ATOM 172 CA ASN A 11 17.225 21.673 -6.375 1.00 0.00 C ATOM 173 C ASN A 11 17.690 22.330 -5.077 1.00 0.00 C ATOM 174 O ASN A 11 17.854 21.671 -4.048 1.00 0.00 O ATOM 175 CB ASN A 11 15.718 21.929 -6.585 1.00 0.00 C ATOM 176 CG ASN A 11 14.976 22.127 -5.272 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.672 23.254 -4.889 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.758 21.053 -4.531 1.00 0.00 N ATOM 0 H ASN A 11 17.554 19.861 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 11 17.762 22.110 -7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.586 22.812 -7.211 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.281 21.088 -7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.325 21.147 -3.612 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.022 20.131 -4.879 1.00 0.00 H new ATOM 185 N LYS A 12 17.816 23.650 -5.139 1.00 0.00 N ATOM 186 CA LYS A 12 17.992 24.550 -4.004 1.00 0.00 C ATOM 187 C LYS A 12 17.086 25.769 -4.134 1.00 0.00 C ATOM 188 O LYS A 12 16.878 26.484 -3.155 1.00 0.00 O ATOM 189 CB LYS A 12 19.457 25.018 -3.958 1.00 0.00 C ATOM 190 CG LYS A 12 20.251 24.268 -2.892 1.00 0.00 C ATOM 191 CD LYS A 12 19.886 24.789 -1.491 1.00 0.00 C ATOM 192 CE LYS A 12 20.710 24.057 -0.424 1.00 0.00 C ATOM 193 NZ LYS A 12 20.406 24.537 0.948 1.00 0.00 N ATOM 0 H LYS A 12 17.797 24.148 -6.029 1.00 0.00 H new ATOM 0 HA LYS A 12 17.732 24.016 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.920 24.865 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.492 26.088 -3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.042 23.200 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.319 24.395 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.073 25.861 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.822 24.640 -1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.511 22.987 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.772 24.196 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.986 24.014 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.620 25.552 1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.399 24.381 1.155 1.00 0.00 H new ATOM 207 N GLN A 13 16.576 26.021 -5.339 1.00 0.00 N ATOM 208 CA GLN A 13 15.897 27.248 -5.682 1.00 0.00 C ATOM 209 C GLN A 13 14.543 27.344 -4.985 1.00 0.00 C ATOM 210 O GLN A 13 14.092 28.458 -4.713 1.00 0.00 O ATOM 211 CB GLN A 13 15.704 27.335 -7.209 1.00 0.00 C ATOM 212 CG GLN A 13 16.991 27.284 -8.053 1.00 0.00 C ATOM 213 CD GLN A 13 17.431 25.879 -8.492 1.00 0.00 C ATOM 214 OE1 GLN A 13 17.362 24.906 -7.741 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.901 25.734 -9.718 1.00 0.00 N ATOM 0 H GLN A 13 16.630 25.358 -6.112 1.00 0.00 H new ATOM 0 HA GLN A 13 16.515 28.080 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.055 26.517 -7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.179 28.263 -7.437 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.847 27.897 -8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.800 27.738 -7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.958 26.540 -10.341 1.00 0.00 H new ATOM 0 HE22 GLN A 13 18.206 24.816 -10.042 1.00 0.00 H new ATOM 224 N ASP A 14 13.891 26.206 -4.702 1.00 0.00 N ATOM 225 CA ASP A 14 12.515 26.230 -4.181 1.00 0.00 C ATOM 226 C ASP A 14 12.239 25.154 -3.125 1.00 0.00 C ATOM 227 O ASP A 14 11.107 25.005 -2.674 1.00 0.00 O ATOM 228 CB ASP A 14 11.534 26.118 -5.361 1.00 0.00 C ATOM 229 CG ASP A 14 10.123 26.598 -4.995 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.983 27.752 -4.530 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.146 25.866 -5.270 1.00 0.00 O ATOM 0 H ASP A 14 14.285 25.273 -4.822 1.00 0.00 H new ATOM 0 HA ASP A 14 12.374 27.179 -3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.909 26.706 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.487 25.081 -5.694 1.00 0.00 H new ATOM 236 N ASN A 15 13.257 24.363 -2.756 1.00 0.00 N ATOM 237 CA ASN A 15 13.214 23.142 -1.929 1.00 0.00 C ATOM 238 C ASN A 15 12.454 21.994 -2.621 1.00 0.00 C ATOM 239 O ASN A 15 12.676 20.821 -2.312 1.00 0.00 O ATOM 240 CB ASN A 15 12.681 23.439 -0.511 1.00 0.00 C ATOM 241 CG ASN A 15 13.214 22.514 0.589 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.550 22.974 1.676 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.303 21.212 0.369 1.00 0.00 N ATOM 0 H ASN A 15 14.210 24.575 -3.051 1.00 0.00 H new ATOM 0 HA ASN A 15 14.240 22.793 -1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.932 24.468 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.593 23.371 -0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.650 20.593 1.102 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.024 20.827 -0.534 1.00 0.00 H new ATOM 250 N ARG A 16 11.623 22.312 -3.608 1.00 0.00 N ATOM 251 CA ARG A 16 10.833 21.410 -4.437 1.00 0.00 C ATOM 252 C ARG A 16 11.735 20.584 -5.342 1.00 0.00 C ATOM 253 O ARG A 16 12.352 21.104 -6.266 1.00 0.00 O ATOM 254 CB ARG A 16 9.898 22.281 -5.268 1.00 0.00 C ATOM 255 CG ARG A 16 8.912 21.557 -6.200 1.00 0.00 C ATOM 256 CD ARG A 16 8.289 22.562 -7.183 1.00 0.00 C ATOM 257 NE ARG A 16 7.803 23.772 -6.507 1.00 0.00 N ATOM 258 CZ ARG A 16 6.583 24.050 -6.043 1.00 0.00 C ATOM 259 NH1 ARG A 16 5.547 23.233 -6.212 1.00 0.00 N ATOM 260 NH2 ARG A 16 6.444 25.191 -5.382 1.00 0.00 N ATOM 0 H ARG A 16 11.473 23.286 -3.869 1.00 0.00 H new ATOM 0 HA ARG A 16 10.270 20.710 -3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.322 22.906 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.508 22.950 -5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.428 20.770 -6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.130 21.076 -5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.029 22.840 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.463 22.086 -7.711 1.00 0.00 H new ATOM 0 HE ARG A 16 8.499 24.506 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.668 22.353 -6.714 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.632 23.486 -5.840 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.248 25.805 -5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.534 25.454 -5.005 1.00 0.00 H new ATOM 274 N HIS A 17 11.770 19.296 -5.072 1.00 0.00 N ATOM 275 CA HIS A 17 12.421 18.253 -5.840 1.00 0.00 C ATOM 276 C HIS A 17 11.402 17.578 -6.750 1.00 0.00 C ATOM 277 O HIS A 17 10.189 17.729 -6.584 1.00 0.00 O ATOM 278 CB HIS A 17 12.984 17.231 -4.843 1.00 0.00 C ATOM 279 CG HIS A 17 14.224 17.709 -4.146 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.325 18.419 -2.970 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.485 17.530 -4.621 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.632 18.653 -2.747 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.383 18.149 -3.746 1.00 0.00 N ATOM 0 H HIS A 17 11.307 18.921 -4.244 1.00 0.00 H new ATOM 0 HA HIS A 17 13.218 18.666 -6.458 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.222 17.001 -4.098 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.206 16.303 -5.370 1.00 0.00 H new ATOM 0 HD1 HIS A 17 13.550 18.714 -2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.749 16.999 -5.523 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.025 19.173 -1.886 1.00 0.00 H new ATOM 291 N VAL A 18 11.895 16.767 -7.683 1.00 0.00 N ATOM 292 CA VAL A 18 11.061 15.876 -8.476 1.00 0.00 C ATOM 293 C VAL A 18 11.849 14.601 -8.683 1.00 0.00 C ATOM 294 O VAL A 18 13.073 14.638 -8.822 1.00 0.00 O ATOM 295 CB VAL A 18 10.681 16.482 -9.848 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.350 15.915 -10.366 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.601 18.008 -9.894 1.00 0.00 C ATOM 0 H VAL A 18 12.888 16.711 -7.909 1.00 0.00 H new ATOM 0 HA VAL A 18 10.124 15.698 -7.947 1.00 0.00 H new ATOM 0 HB VAL A 18 11.512 16.189 -10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.115 16.363 -11.331 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.434 14.834 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.556 16.145 -9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.328 18.328 -10.900 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.848 18.354 -9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.570 18.431 -9.629 1.00 0.00 H new ATOM 307 N LEU A 19 11.151 13.474 -8.669 1.00 0.00 N ATOM 308 CA LEU A 19 11.751 12.175 -8.906 1.00 0.00 C ATOM 309 C LEU A 19 10.805 11.346 -9.767 1.00 0.00 C ATOM 310 O LEU A 19 9.625 11.681 -9.915 1.00 0.00 O ATOM 311 CB LEU A 19 12.155 11.438 -7.607 1.00 0.00 C ATOM 312 CG LEU A 19 11.875 12.056 -6.216 1.00 0.00 C ATOM 313 CD1 LEU A 19 12.235 11.002 -5.168 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.702 13.317 -5.918 1.00 0.00 C ATOM 0 H LEU A 19 10.147 13.438 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 19 12.690 12.326 -9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.665 10.465 -7.628 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.228 11.256 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 19 10.826 12.351 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.050 11.402 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.623 10.113 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.288 10.739 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.450 13.691 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.764 13.073 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.480 14.082 -6.662 1.00 0.00 H new ATOM 326 N MET A 20 11.329 10.260 -10.330 1.00 0.00 N ATOM 327 CA MET A 20 10.593 9.369 -11.204 1.00 0.00 C ATOM 328 C MET A 20 10.353 8.118 -10.374 1.00 0.00 C ATOM 329 O MET A 20 11.266 7.307 -10.186 1.00 0.00 O ATOM 330 CB MET A 20 11.382 9.137 -12.498 1.00 0.00 C ATOM 331 CG MET A 20 10.555 8.408 -13.560 1.00 0.00 C ATOM 332 SD MET A 20 11.401 8.173 -15.147 1.00 0.00 S ATOM 333 CE MET A 20 12.706 7.017 -14.659 1.00 0.00 C ATOM 0 H MET A 20 12.297 9.975 -10.184 1.00 0.00 H new ATOM 0 HA MET A 20 9.636 9.767 -11.542 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.715 10.096 -12.895 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.277 8.556 -12.276 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.266 7.432 -13.170 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.636 8.967 -13.733 1.00 0.00 H new ATOM 0 HE1 MET A 20 13.274 6.716 -15.540 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.373 7.501 -13.945 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.258 6.137 -14.198 1.00 0.00 H new ATOM 343 N LEU A 21 9.164 8.049 -9.775 1.00 0.00 N ATOM 344 CA LEU A 21 8.760 6.975 -8.880 1.00 0.00 C ATOM 345 C LEU A 21 8.308 5.817 -9.732 1.00 0.00 C ATOM 346 O LEU A 21 7.438 5.970 -10.584 1.00 0.00 O ATOM 347 CB LEU A 21 7.599 7.403 -7.968 1.00 0.00 C ATOM 348 CG LEU A 21 8.111 7.879 -6.605 1.00 0.00 C ATOM 349 CD1 LEU A 21 9.017 9.110 -6.751 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.921 8.169 -5.685 1.00 0.00 C ATOM 0 H LEU A 21 8.441 8.757 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 21 9.603 6.706 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.033 8.203 -8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.914 6.566 -7.830 1.00 0.00 H new ATOM 0 HG LEU A 21 8.716 7.089 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.365 9.425 -5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.874 8.859 -7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.456 9.922 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.285 8.508 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.298 8.945 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.332 7.261 -5.555 1.00 0.00 H new ATOM 362 N CYS A 22 8.879 4.655 -9.483 1.00 0.00 N ATOM 363 CA CYS A 22 8.713 3.495 -10.331 1.00 0.00 C ATOM 364 C CYS A 22 8.407 2.283 -9.467 1.00 0.00 C ATOM 365 O CYS A 22 8.588 2.323 -8.252 1.00 0.00 O ATOM 366 CB CYS A 22 9.992 3.295 -11.157 1.00 0.00 C ATOM 367 SG CYS A 22 10.380 4.819 -12.070 1.00 0.00 S ATOM 0 H CYS A 22 9.479 4.490 -8.675 1.00 0.00 H new ATOM 0 HA CYS A 22 7.880 3.636 -11.020 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.822 3.032 -10.501 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.861 2.467 -11.853 1.00 0.00 H new ATOM 0 HG CYS A 22 10.801 5.727 -11.240 1.00 0.00 H new ATOM 373 N ASP A 23 7.924 1.210 -10.081 1.00 0.00 N ATOM 374 CA ASP A 23 7.822 -0.095 -9.432 1.00 0.00 C ATOM 375 C ASP A 23 9.188 -0.456 -8.826 1.00 0.00 C ATOM 376 O ASP A 23 10.220 -0.031 -9.352 1.00 0.00 O ATOM 377 CB ASP A 23 7.367 -1.124 -10.483 1.00 0.00 C ATOM 378 CG ASP A 23 7.924 -2.531 -10.231 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.351 -3.268 -9.398 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.936 -2.876 -10.879 1.00 0.00 O ATOM 0 H ASP A 23 7.591 1.218 -11.045 1.00 0.00 H new ATOM 0 HA ASP A 23 7.091 -0.084 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.278 -1.168 -10.492 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.681 -0.788 -11.471 1.00 0.00 H new ATOM 385 N ALA A 24 9.208 -1.226 -7.732 1.00 0.00 N ATOM 386 CA ALA A 24 10.419 -1.759 -7.110 1.00 0.00 C ATOM 387 C ALA A 24 11.112 -2.774 -8.044 1.00 0.00 C ATOM 388 O ALA A 24 11.050 -3.987 -7.824 1.00 0.00 O ATOM 389 CB ALA A 24 10.071 -2.346 -5.734 1.00 0.00 C ATOM 0 H ALA A 24 8.356 -1.502 -7.243 1.00 0.00 H new ATOM 0 HA ALA A 24 11.139 -0.957 -6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.973 -2.744 -5.269 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.651 -1.565 -5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.341 -3.147 -5.854 1.00 0.00 H new ATOM 395 N GLY A 25 11.732 -2.268 -9.111 1.00 0.00 N ATOM 396 CA GLY A 25 12.258 -3.043 -10.231 1.00 0.00 C ATOM 397 C GLY A 25 12.241 -2.260 -11.549 1.00 0.00 C ATOM 398 O GLY A 25 12.946 -2.624 -12.491 1.00 0.00 O ATOM 0 H GLY A 25 11.887 -1.266 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.280 -3.349 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.670 -3.954 -10.346 1.00 0.00 H new ATOM 402 N GLY A 26 11.466 -1.175 -11.613 1.00 0.00 N ATOM 403 CA GLY A 26 11.389 -0.252 -12.738 1.00 0.00 C ATOM 404 C GLY A 26 10.314 -0.609 -13.769 1.00 0.00 C ATOM 405 O GLY A 26 10.260 0.053 -14.807 1.00 0.00 O ATOM 0 H GLY A 26 10.849 -0.908 -10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.194 0.751 -12.358 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.358 -0.221 -13.236 1.00 0.00 H new ATOM 409 N ALA A 27 9.475 -1.628 -13.534 1.00 0.00 N ATOM 410 CA ALA A 27 8.565 -2.163 -14.554 1.00 0.00 C ATOM 411 C ALA A 27 7.417 -1.209 -14.932 1.00 0.00 C ATOM 412 O ALA A 27 6.791 -1.388 -15.978 1.00 0.00 O ATOM 413 CB ALA A 27 7.989 -3.497 -14.068 1.00 0.00 C ATOM 0 H ALA A 27 9.409 -2.103 -12.634 1.00 0.00 H new ATOM 0 HA ALA A 27 9.157 -2.297 -15.459 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.312 -3.898 -14.823 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.801 -4.203 -13.897 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.443 -3.340 -13.138 1.00 0.00 H new ATOM 419 N ILE A 28 7.127 -0.217 -14.089 1.00 0.00 N ATOM 420 CA ILE A 28 6.072 0.788 -14.231 1.00 0.00 C ATOM 421 C ILE A 28 6.717 2.083 -13.731 1.00 0.00 C ATOM 422 O ILE A 28 7.550 2.014 -12.822 1.00 0.00 O ATOM 423 CB ILE A 28 4.827 0.392 -13.390 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.278 -0.997 -13.799 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.718 1.462 -13.498 1.00 0.00 C ATOM 426 CD1 ILE A 28 3.053 -1.467 -13.003 1.00 0.00 C ATOM 0 H ILE A 28 7.660 -0.085 -13.229 1.00 0.00 H new ATOM 0 HA ILE A 28 5.711 0.889 -15.254 1.00 0.00 H new ATOM 0 HB ILE A 28 5.149 0.332 -12.350 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.018 -0.972 -14.857 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.073 -1.734 -13.684 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.859 1.158 -12.899 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.096 2.416 -13.131 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.415 1.568 -14.540 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.741 -2.448 -13.361 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.309 -1.531 -11.945 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.237 -0.756 -13.137 1.00 0.00 H new ATOM 438 N LYS A 29 6.365 3.245 -14.296 1.00 0.00 N ATOM 439 CA LYS A 29 7.026 4.516 -13.987 1.00 0.00 C ATOM 440 C LYS A 29 6.009 5.652 -13.885 1.00 0.00 C ATOM 441 O LYS A 29 5.037 5.702 -14.642 1.00 0.00 O ATOM 442 CB LYS A 29 8.094 4.840 -15.049 1.00 0.00 C ATOM 443 CG LYS A 29 9.181 3.750 -15.174 1.00 0.00 C ATOM 444 CD LYS A 29 10.454 4.287 -15.850 1.00 0.00 C ATOM 445 CE LYS A 29 11.707 3.441 -15.553 1.00 0.00 C ATOM 446 NZ LYS A 29 11.652 2.095 -16.182 1.00 0.00 N ATOM 0 H LYS A 29 5.613 3.329 -14.980 1.00 0.00 H new ATOM 0 HA LYS A 29 7.518 4.416 -13.019 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.607 4.971 -16.016 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.568 5.789 -14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.429 3.369 -14.183 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.790 2.911 -15.750 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.296 4.324 -16.928 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.629 5.311 -15.518 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.591 3.969 -15.911 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.818 3.329 -14.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.618 1.732 -16.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.117 1.447 -15.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.182 2.163 -17.107 1.00 0.00 H new ATOM 460 N MET A 30 6.261 6.584 -12.972 1.00 0.00 N ATOM 461 CA MET A 30 5.465 7.763 -12.657 1.00 0.00 C ATOM 462 C MET A 30 6.430 8.915 -12.365 1.00 0.00 C ATOM 463 O MET A 30 7.637 8.707 -12.240 1.00 0.00 O ATOM 464 CB MET A 30 4.566 7.511 -11.429 1.00 0.00 C ATOM 465 CG MET A 30 3.648 6.290 -11.554 1.00 0.00 C ATOM 466 SD MET A 30 2.115 6.369 -10.580 1.00 0.00 S ATOM 467 CE MET A 30 2.744 6.890 -8.959 1.00 0.00 C ATOM 0 H MET A 30 7.095 6.529 -12.387 1.00 0.00 H new ATOM 0 HA MET A 30 4.816 8.003 -13.499 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.199 7.386 -10.551 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.952 8.395 -11.256 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.386 6.159 -12.604 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.206 5.404 -11.252 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.978 6.726 -8.201 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.632 6.309 -8.709 1.00 0.00 H new ATOM 0 HE3 MET A 30 3.001 7.949 -8.992 1.00 0.00 H new ATOM 477 N ILE A 31 5.907 10.128 -12.210 1.00 0.00 N ATOM 478 CA ILE A 31 6.636 11.308 -11.762 1.00 0.00 C ATOM 479 C ILE A 31 5.997 11.693 -10.430 1.00 0.00 C ATOM 480 O ILE A 31 4.772 11.605 -10.297 1.00 0.00 O ATOM 481 CB ILE A 31 6.511 12.442 -12.795 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.128 12.040 -14.155 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.183 13.742 -12.315 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.280 12.631 -15.271 1.00 0.00 C ATOM 0 H ILE A 31 4.924 10.322 -12.401 1.00 0.00 H new ATOM 0 HA ILE A 31 7.703 11.117 -11.649 1.00 0.00 H new ATOM 0 HB ILE A 31 5.442 12.620 -12.916 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.153 12.404 -14.227 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.168 10.954 -14.245 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.069 14.513 -13.077 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.713 14.074 -11.389 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.243 13.560 -12.139 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.705 12.355 -16.236 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.263 12.245 -15.198 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.264 13.717 -15.179 1.00 0.00 H new ATOM 496 N ALA A 32 6.793 12.153 -9.467 1.00 0.00 N ATOM 497 CA ALA A 32 6.292 12.761 -8.248 1.00 0.00 C ATOM 498 C ALA A 32 7.137 13.991 -7.959 1.00 0.00 C ATOM 499 O ALA A 32 8.368 13.923 -7.937 1.00 0.00 O ATOM 500 CB ALA A 32 6.342 11.784 -7.074 1.00 0.00 C ATOM 0 H ALA A 32 7.811 12.111 -9.516 1.00 0.00 H new ATOM 0 HA ALA A 32 5.247 13.040 -8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.960 12.272 -6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.730 10.911 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.372 11.471 -6.905 1.00 0.00 H new ATOM 506 N GLU A 33 6.467 15.110 -7.734 1.00 0.00 N ATOM 507 CA GLU A 33 7.054 16.336 -7.244 1.00 0.00 C ATOM 508 C GLU A 33 6.945 16.271 -5.723 1.00 0.00 C ATOM 509 O GLU A 33 5.885 15.928 -5.184 1.00 0.00 O ATOM 510 CB GLU A 33 6.255 17.508 -7.826 1.00 0.00 C ATOM 511 CG GLU A 33 6.933 18.856 -7.596 1.00 0.00 C ATOM 512 CD GLU A 33 6.044 19.999 -8.104 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.989 20.234 -9.331 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.433 20.697 -7.265 1.00 0.00 O ATOM 0 H GLU A 33 5.463 15.187 -7.895 1.00 0.00 H new ATOM 0 HA GLU A 33 8.096 16.468 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.118 17.353 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.262 17.524 -7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.137 18.991 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.894 18.879 -8.110 1.00 0.00 H new ATOM 521 N VAL A 34 8.033 16.570 -5.022 1.00 0.00 N ATOM 522 CA VAL A 34 8.148 16.350 -3.589 1.00 0.00 C ATOM 523 C VAL A 34 8.950 17.496 -2.971 1.00 0.00 C ATOM 524 O VAL A 34 9.589 18.280 -3.672 1.00 0.00 O ATOM 525 CB VAL A 34 8.775 14.956 -3.300 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.003 13.794 -3.949 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.241 14.841 -3.739 1.00 0.00 C ATOM 0 H VAL A 34 8.869 16.977 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 34 7.160 16.345 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 34 8.714 14.876 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.494 12.851 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.981 13.779 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.986 13.928 -5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.613 13.843 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.314 15.015 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.839 15.583 -3.210 1.00 0.00 H new ATOM 537 N LYS A 35 8.952 17.588 -1.648 1.00 0.00 N ATOM 538 CA LYS A 35 9.846 18.437 -0.874 1.00 0.00 C ATOM 539 C LYS A 35 10.624 17.474 0.017 1.00 0.00 C ATOM 540 O LYS A 35 10.192 16.336 0.222 1.00 0.00 O ATOM 541 CB LYS A 35 9.032 19.490 -0.098 1.00 0.00 C ATOM 542 CG LYS A 35 9.899 20.666 0.380 1.00 0.00 C ATOM 543 CD LYS A 35 9.097 21.781 1.070 1.00 0.00 C ATOM 544 CE LYS A 35 8.189 22.544 0.090 1.00 0.00 C ATOM 545 NZ LYS A 35 7.477 23.669 0.747 1.00 0.00 N ATOM 0 H LYS A 35 8.308 17.054 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 35 10.538 19.018 -1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.231 19.868 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.559 19.017 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.654 20.292 1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.429 21.087 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.488 21.349 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.786 22.481 1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.789 22.928 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.461 21.856 -0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.877 24.155 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.884 23.301 1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.171 24.340 1.134 1.00 0.00 H new ATOM 559 N SER A 36 11.772 17.891 0.532 1.00 0.00 N ATOM 560 CA SER A 36 12.638 17.016 1.303 1.00 0.00 C ATOM 561 C SER A 36 13.384 17.825 2.348 1.00 0.00 C ATOM 562 O SER A 36 13.588 19.033 2.190 1.00 0.00 O ATOM 563 CB SER A 36 13.635 16.311 0.374 1.00 0.00 C ATOM 564 OG SER A 36 14.150 15.173 1.032 1.00 0.00 O ATOM 0 H SER A 36 12.127 18.842 0.427 1.00 0.00 H new ATOM 0 HA SER A 36 12.030 16.262 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.143 16.019 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.445 16.990 0.106 1.00 0.00 H new ATOM 0 HG SER A 36 15.095 15.059 0.798 1.00 0.00 H new ATOM 570 N ASP A 37 13.834 17.120 3.382 1.00 0.00 N ATOM 571 CA ASP A 37 14.760 17.640 4.391 1.00 0.00 C ATOM 572 C ASP A 37 16.089 16.860 4.373 1.00 0.00 C ATOM 573 O ASP A 37 16.958 17.082 5.217 1.00 0.00 O ATOM 574 CB ASP A 37 14.077 17.631 5.767 1.00 0.00 C ATOM 575 CG ASP A 37 14.906 18.354 6.845 1.00 0.00 C ATOM 576 OD1 ASP A 37 15.274 19.535 6.647 1.00 0.00 O ATOM 577 OD2 ASP A 37 15.128 17.780 7.935 1.00 0.00 O ATOM 0 H ASP A 37 13.561 16.151 3.548 1.00 0.00 H new ATOM 0 HA ASP A 37 15.016 18.674 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.099 18.106 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.906 16.600 6.077 1.00 0.00 H new ATOM 582 N PHE A 38 16.266 15.959 3.397 1.00 0.00 N ATOM 583 CA PHE A 38 17.429 15.085 3.246 1.00 0.00 C ATOM 584 C PHE A 38 17.711 14.891 1.749 1.00 0.00 C ATOM 585 O PHE A 38 16.823 15.093 0.915 1.00 0.00 O ATOM 586 CB PHE A 38 17.160 13.720 3.909 1.00 0.00 C ATOM 587 CG PHE A 38 16.593 13.757 5.321 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.204 13.898 5.522 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.450 13.664 6.435 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.680 13.977 6.825 1.00 0.00 C ATOM 591 CE2 PHE A 38 16.923 13.725 7.737 1.00 0.00 C ATOM 592 CZ PHE A 38 15.539 13.885 7.933 1.00 0.00 C ATOM 0 H PHE A 38 15.572 15.816 2.663 1.00 0.00 H new ATOM 0 HA PHE A 38 18.293 15.540 3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.468 13.163 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.095 13.160 3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.540 13.946 4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.513 13.546 6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.618 14.108 6.974 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.582 13.649 8.589 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.137 13.937 8.934 1.00 0.00 H new ATOM 602 N ALA A 39 18.934 14.488 1.394 1.00 0.00 N ATOM 603 CA ALA A 39 19.288 14.179 0.014 1.00 0.00 C ATOM 604 C ALA A 39 18.530 12.938 -0.478 1.00 0.00 C ATOM 605 O ALA A 39 18.264 12.019 0.301 1.00 0.00 O ATOM 606 CB ALA A 39 20.803 13.961 -0.096 1.00 0.00 C ATOM 0 H ALA A 39 19.701 14.368 2.055 1.00 0.00 H new ATOM 0 HA ALA A 39 19.002 15.020 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 39 21.063 13.730 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.324 14.866 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 39 21.099 13.132 0.547 1.00 0.00 H new ATOM 612 N VAL A 40 18.259 12.880 -1.784 1.00 0.00 N ATOM 613 CA VAL A 40 17.683 11.731 -2.483 1.00 0.00 C ATOM 614 C VAL A 40 18.379 11.661 -3.848 1.00 0.00 C ATOM 615 O VAL A 40 18.703 12.704 -4.426 1.00 0.00 O ATOM 616 CB VAL A 40 16.150 11.891 -2.663 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.511 10.554 -3.070 1.00 0.00 C ATOM 618 CG2 VAL A 40 15.425 12.402 -1.409 1.00 0.00 C ATOM 0 H VAL A 40 18.443 13.665 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 40 17.835 10.816 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 40 16.033 12.641 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.436 10.687 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.944 10.216 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.700 9.810 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.358 12.487 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.581 11.702 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.820 13.380 -1.133 1.00 0.00 H new ATOM 628 N LYS A 41 18.604 10.454 -4.375 1.00 0.00 N ATOM 629 CA LYS A 41 19.127 10.232 -5.719 1.00 0.00 C ATOM 630 C LYS A 41 18.589 8.908 -6.264 1.00 0.00 C ATOM 631 O LYS A 41 17.901 8.183 -5.549 1.00 0.00 O ATOM 632 CB LYS A 41 20.670 10.318 -5.732 1.00 0.00 C ATOM 633 CG LYS A 41 21.432 9.057 -5.298 1.00 0.00 C ATOM 634 CD LYS A 41 21.078 8.536 -3.900 1.00 0.00 C ATOM 635 CE LYS A 41 21.915 7.294 -3.563 1.00 0.00 C ATOM 636 NZ LYS A 41 21.369 6.072 -4.198 1.00 0.00 N ATOM 0 H LYS A 41 18.423 9.589 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 41 18.781 11.021 -6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.988 10.578 -6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.971 11.139 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.240 8.267 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.501 9.267 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 41 21.257 9.315 -3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.017 8.290 -3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.942 7.447 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.945 7.159 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.114 5.349 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.578 5.709 -3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.032 6.299 -5.155 1.00 0.00 H new ATOM 650 N VAL A 42 18.915 8.597 -7.513 1.00 0.00 N ATOM 651 CA VAL A 42 18.580 7.349 -8.188 1.00 0.00 C ATOM 652 C VAL A 42 19.003 6.109 -7.390 1.00 0.00 C ATOM 653 O VAL A 42 20.007 6.113 -6.671 1.00 0.00 O ATOM 654 CB VAL A 42 19.204 7.375 -9.601 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.874 6.111 -10.406 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.675 8.604 -10.349 1.00 0.00 C ATOM 0 H VAL A 42 19.443 9.235 -8.108 1.00 0.00 H new ATOM 0 HA VAL A 42 17.496 7.272 -8.270 1.00 0.00 H new ATOM 0 HB VAL A 42 20.288 7.419 -9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.335 6.177 -11.392 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.259 5.236 -9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.793 6.021 -10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.108 8.635 -11.349 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.589 8.544 -10.425 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.952 9.508 -9.806 1.00 0.00 H new ATOM 666 N GLY A 43 18.249 5.025 -7.585 1.00 0.00 N ATOM 667 CA GLY A 43 18.473 3.730 -6.976 1.00 0.00 C ATOM 668 C GLY A 43 17.901 3.688 -5.565 1.00 0.00 C ATOM 669 O GLY A 43 18.405 2.909 -4.752 1.00 0.00 O ATOM 0 H GLY A 43 17.434 5.035 -8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.010 2.953 -7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.542 3.517 -6.946 1.00 0.00 H new ATOM 673 N ASP A 44 16.894 4.517 -5.251 1.00 0.00 N ATOM 674 CA ASP A 44 16.460 4.675 -3.844 1.00 0.00 C ATOM 675 C ASP A 44 15.058 4.141 -3.642 1.00 0.00 C ATOM 676 O ASP A 44 14.238 4.238 -4.546 1.00 0.00 O ATOM 677 CB ASP A 44 16.522 6.132 -3.358 1.00 0.00 C ATOM 678 CG ASP A 44 17.835 6.441 -2.634 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.904 5.951 -3.053 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.794 7.091 -1.568 1.00 0.00 O ATOM 0 H ASP A 44 16.374 5.077 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 44 17.165 4.094 -3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 44 16.411 6.803 -4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.684 6.326 -2.688 1.00 0.00 H new ATOM 685 N LEU A 45 14.756 3.606 -2.459 1.00 0.00 N ATOM 686 CA LEU A 45 13.405 3.150 -2.152 1.00 0.00 C ATOM 687 C LEU A 45 12.608 4.312 -1.561 1.00 0.00 C ATOM 688 O LEU A 45 13.182 5.163 -0.878 1.00 0.00 O ATOM 689 CB LEU A 45 13.481 2.008 -1.125 1.00 0.00 C ATOM 690 CG LEU A 45 12.173 1.208 -0.950 1.00 0.00 C ATOM 691 CD1 LEU A 45 11.878 0.312 -2.160 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.273 0.342 0.307 1.00 0.00 C ATOM 0 H LEU A 45 15.427 3.479 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 45 12.917 2.795 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.273 1.322 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.768 2.425 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 45 11.356 1.924 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.948 -0.232 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.782 0.928 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.694 -0.398 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.350 -0.224 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.111 -0.348 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.429 0.980 1.177 1.00 0.00 H new ATOM 704 N LEU A 46 11.290 4.301 -1.752 1.00 0.00 N ATOM 705 CA LEU A 46 10.333 5.164 -1.080 1.00 0.00 C ATOM 706 C LEU A 46 9.219 4.277 -0.549 1.00 0.00 C ATOM 707 O LEU A 46 8.495 3.661 -1.335 1.00 0.00 O ATOM 708 CB LEU A 46 9.754 6.238 -2.015 1.00 0.00 C ATOM 709 CG LEU A 46 10.755 7.316 -2.456 1.00 0.00 C ATOM 710 CD1 LEU A 46 10.047 8.307 -3.379 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.368 8.095 -1.291 1.00 0.00 C ATOM 0 H LEU A 46 10.845 3.660 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 46 10.837 5.699 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.354 5.749 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.917 6.723 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 46 11.569 6.797 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.752 9.076 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.666 7.781 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.218 8.772 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.065 8.839 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.577 8.595 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.899 7.407 -0.633 1.00 0.00 H new ATOM 723 N SER A 47 9.061 4.246 0.771 1.00 0.00 N ATOM 724 CA SER A 47 8.041 3.455 1.458 1.00 0.00 C ATOM 725 C SER A 47 7.118 4.406 2.230 1.00 0.00 C ATOM 726 O SER A 47 7.628 5.316 2.887 1.00 0.00 O ATOM 727 CB SER A 47 8.711 2.464 2.412 1.00 0.00 C ATOM 728 OG SER A 47 9.700 1.708 1.735 1.00 0.00 O ATOM 0 H SER A 47 9.651 4.781 1.408 1.00 0.00 H new ATOM 0 HA SER A 47 7.453 2.890 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.164 3.002 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.961 1.795 2.835 1.00 0.00 H new ATOM 0 HG SER A 47 10.118 1.081 2.361 1.00 0.00 H new ATOM 734 N PRO A 48 5.785 4.258 2.158 1.00 0.00 N ATOM 735 CA PRO A 48 4.864 5.240 2.713 1.00 0.00 C ATOM 736 C PRO A 48 4.881 5.265 4.241 1.00 0.00 C ATOM 737 O PRO A 48 5.179 4.270 4.907 1.00 0.00 O ATOM 738 CB PRO A 48 3.477 4.863 2.174 1.00 0.00 C ATOM 739 CG PRO A 48 3.597 3.369 1.877 1.00 0.00 C ATOM 740 CD PRO A 48 5.059 3.208 1.462 1.00 0.00 C ATOM 0 HA PRO A 48 5.154 6.248 2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.695 5.064 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.228 5.431 1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.359 2.765 2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.917 3.061 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.437 2.223 1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.172 3.304 0.382 1.00 0.00 H new ATOM 748 N LEU A 49 4.470 6.413 4.776 1.00 0.00 N ATOM 749 CA LEU A 49 4.211 6.657 6.196 1.00 0.00 C ATOM 750 C LEU A 49 2.789 7.193 6.352 1.00 0.00 C ATOM 751 O LEU A 49 2.071 6.805 7.273 1.00 0.00 O ATOM 752 CB LEU A 49 5.219 7.684 6.738 1.00 0.00 C ATOM 753 CG LEU A 49 6.664 7.162 6.811 1.00 0.00 C ATOM 754 CD1 LEU A 49 7.613 8.331 7.082 1.00 0.00 C ATOM 755 CD2 LEU A 49 6.825 6.100 7.908 1.00 0.00 C ATOM 0 H LEU A 49 4.300 7.240 4.204 1.00 0.00 H new ATOM 0 HA LEU A 49 4.318 5.729 6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.195 8.571 6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.905 7.995 7.734 1.00 0.00 H new ATOM 0 HG LEU A 49 6.906 6.696 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.638 7.963 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.530 9.061 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.348 8.803 8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.858 5.754 7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.566 6.533 8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.165 5.258 7.699 1.00 0.00 H new ATOM 767 N GLN A 50 2.377 8.049 5.416 1.00 0.00 N ATOM 768 CA GLN A 50 1.017 8.530 5.203 1.00 0.00 C ATOM 769 C GLN A 50 0.925 8.925 3.722 1.00 0.00 C ATOM 770 O GLN A 50 1.921 8.837 3.000 1.00 0.00 O ATOM 771 CB GLN A 50 0.680 9.694 6.160 1.00 0.00 C ATOM 772 CG GLN A 50 1.735 10.814 6.188 1.00 0.00 C ATOM 773 CD GLN A 50 1.230 12.099 6.849 1.00 0.00 C ATOM 774 OE1 GLN A 50 0.575 12.081 7.888 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.523 13.246 6.255 1.00 0.00 N ATOM 0 H GLN A 50 3.031 8.450 4.743 1.00 0.00 H new ATOM 0 HA GLN A 50 0.278 7.761 5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.280 10.122 5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.561 9.297 7.168 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.617 10.461 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.047 11.036 5.168 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.068 13.249 5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.204 14.126 6.660 1.00 0.00 H new ATOM 784 N ASN A 51 -0.239 9.402 3.265 1.00 0.00 N ATOM 785 CA ASN A 51 -0.476 9.756 1.859 1.00 0.00 C ATOM 786 C ASN A 51 0.595 10.687 1.274 1.00 0.00 C ATOM 787 O ASN A 51 0.918 10.571 0.092 1.00 0.00 O ATOM 788 CB ASN A 51 -1.858 10.412 1.714 1.00 0.00 C ATOM 789 CG ASN A 51 -2.111 10.860 0.274 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.470 10.055 -0.581 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.926 12.136 -0.030 1.00 0.00 N ATOM 0 H ASN A 51 -1.050 9.555 3.865 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.429 8.825 1.294 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.631 9.707 2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.927 11.271 2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.082 12.461 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.628 12.794 0.690 1.00 0.00 H new ATOM 798 N ALA A 52 1.144 11.597 2.090 1.00 0.00 N ATOM 799 CA ALA A 52 2.031 12.655 1.664 1.00 0.00 C ATOM 800 C ALA A 52 3.389 12.616 2.376 1.00 0.00 C ATOM 801 O ALA A 52 4.096 13.614 2.308 1.00 0.00 O ATOM 802 CB ALA A 52 1.323 14.009 1.832 1.00 0.00 C ATOM 0 H ALA A 52 0.969 11.606 3.095 1.00 0.00 H new ATOM 0 HA ALA A 52 2.261 12.505 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.989 14.810 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.418 14.024 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.059 14.154 2.880 1.00 0.00 H new ATOM 808 N LEU A 53 3.787 11.522 3.039 1.00 0.00 N ATOM 809 CA LEU A 53 5.151 11.342 3.545 1.00 0.00 C ATOM 810 C LEU A 53 5.611 9.936 3.199 1.00 0.00 C ATOM 811 O LEU A 53 4.872 8.975 3.424 1.00 0.00 O ATOM 812 CB LEU A 53 5.282 11.508 5.072 1.00 0.00 C ATOM 813 CG LEU A 53 5.259 12.948 5.618 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.163 12.908 7.148 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.520 13.736 5.245 1.00 0.00 C ATOM 0 H LEU A 53 3.169 10.736 3.239 1.00 0.00 H new ATOM 0 HA LEU A 53 5.757 12.118 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.472 10.952 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.215 11.040 5.386 1.00 0.00 H new ATOM 0 HG LEU A 53 4.397 13.445 5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.146 13.926 7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.249 12.392 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.025 12.378 7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.453 14.744 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.397 13.235 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.608 13.790 4.160 1.00 0.00 H new ATOM 827 N TYR A 54 6.851 9.822 2.730 1.00 0.00 N ATOM 828 CA TYR A 54 7.493 8.553 2.426 1.00 0.00 C ATOM 829 C TYR A 54 8.896 8.585 3.025 1.00 0.00 C ATOM 830 O TYR A 54 9.569 9.618 3.004 1.00 0.00 O ATOM 831 CB TYR A 54 7.559 8.302 0.905 1.00 0.00 C ATOM 832 CG TYR A 54 6.246 7.924 0.231 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.215 8.873 0.088 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.061 6.623 -0.278 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.990 8.513 -0.497 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.843 6.257 -0.880 1.00 0.00 C ATOM 837 CZ TYR A 54 3.794 7.200 -0.979 1.00 0.00 C ATOM 838 OH TYR A 54 2.595 6.862 -1.531 1.00 0.00 O ATOM 0 H TYR A 54 7.448 10.629 2.548 1.00 0.00 H new ATOM 0 HA TYR A 54 6.911 7.737 2.855 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.945 9.202 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.281 7.507 0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.368 9.886 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.861 5.901 -0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.197 9.241 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.710 5.257 -1.266 1.00 0.00 H new ATOM 0 HH TYR A 54 2.619 5.924 -1.815 1.00 0.00 H new ATOM 848 N CYS A 55 9.316 7.441 3.557 1.00 0.00 N ATOM 849 CA CYS A 55 10.676 7.157 3.988 1.00 0.00 C ATOM 850 C CYS A 55 11.597 7.287 2.777 1.00 0.00 C ATOM 851 O CYS A 55 11.236 6.802 1.706 1.00 0.00 O ATOM 852 CB CYS A 55 10.767 5.702 4.484 1.00 0.00 C ATOM 853 SG CYS A 55 9.400 5.224 5.578 1.00 0.00 S ATOM 0 H CYS A 55 8.686 6.652 3.705 1.00 0.00 H new ATOM 0 HA CYS A 55 10.959 7.846 4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.784 5.033 3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.710 5.565 5.013 1.00 0.00 H new ATOM 0 HG CYS A 55 8.311 5.095 4.880 1.00 0.00 H new ATOM 859 N ILE A 56 12.788 7.854 2.939 1.00 0.00 N ATOM 860 CA ILE A 56 13.808 7.909 1.900 1.00 0.00 C ATOM 861 C ILE A 56 14.695 6.678 2.060 1.00 0.00 C ATOM 862 O ILE A 56 14.961 6.227 3.178 1.00 0.00 O ATOM 863 CB ILE A 56 14.634 9.214 2.015 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.730 10.452 1.810 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.796 9.253 0.996 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.395 11.752 2.272 1.00 0.00 C ATOM 0 H ILE A 56 13.076 8.296 3.812 1.00 0.00 H new ATOM 0 HA ILE A 56 13.349 7.911 0.912 1.00 0.00 H new ATOM 0 HB ILE A 56 15.059 9.234 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.470 10.537 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.798 10.311 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.349 10.185 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.464 8.410 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.395 9.191 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.716 12.588 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.630 11.683 3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.313 11.912 1.707 1.00 0.00 H new ATOM 878 N ASN A 57 15.199 6.179 0.933 1.00 0.00 N ATOM 879 CA ASN A 57 16.242 5.170 0.765 1.00 0.00 C ATOM 880 C ASN A 57 15.842 3.758 1.157 1.00 0.00 C ATOM 881 O ASN A 57 16.146 2.851 0.382 1.00 0.00 O ATOM 882 CB ASN A 57 17.542 5.569 1.483 1.00 0.00 C ATOM 883 CG ASN A 57 18.683 4.696 0.995 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.096 3.744 1.648 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.187 5.006 -0.182 1.00 0.00 N ATOM 0 H ASN A 57 14.854 6.502 0.029 1.00 0.00 H new ATOM 0 HA ASN A 57 16.411 5.144 -0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.767 6.618 1.293 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.422 5.459 2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 57 19.944 4.447 -0.576 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.820 5.805 -0.699 1.00 0.00 H new ATOM 892 N ARG A 58 15.174 3.614 2.310 1.00 0.00 N ATOM 893 CA ARG A 58 14.656 2.429 3.012 1.00 0.00 C ATOM 894 C ARG A 58 14.630 2.645 4.538 1.00 0.00 C ATOM 895 O ARG A 58 14.478 1.665 5.268 1.00 0.00 O ATOM 896 CB ARG A 58 15.352 1.104 2.618 1.00 0.00 C ATOM 897 CG ARG A 58 16.843 1.043 3.007 1.00 0.00 C ATOM 898 CD ARG A 58 17.621 0.035 2.153 1.00 0.00 C ATOM 899 NE ARG A 58 17.702 0.487 0.752 1.00 0.00 N ATOM 900 CZ ARG A 58 18.375 -0.104 -0.240 1.00 0.00 C ATOM 901 NH1 ARG A 58 19.061 -1.224 -0.025 1.00 0.00 N ATOM 902 NH2 ARG A 58 18.351 0.438 -1.454 1.00 0.00 N ATOM 0 H ARG A 58 14.952 4.450 2.851 1.00 0.00 H new ATOM 0 HA ARG A 58 13.627 2.312 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.828 0.274 3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.261 0.963 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.287 2.032 2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 58 16.932 0.771 4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.625 -0.092 2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 58 17.134 -0.939 2.198 1.00 0.00 H new ATOM 0 HE ARG A 58 17.192 1.338 0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 58 19.077 -1.641 0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 58 19.570 -1.665 -0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.823 1.295 -1.620 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.860 -0.003 -2.220 1.00 0.00 H new ATOM 916 N GLU A 59 14.785 3.877 5.052 1.00 0.00 N ATOM 917 CA GLU A 59 14.825 4.140 6.492 1.00 0.00 C ATOM 918 C GLU A 59 13.826 5.236 6.857 1.00 0.00 C ATOM 919 O GLU A 59 13.693 6.239 6.157 1.00 0.00 O ATOM 920 CB GLU A 59 16.254 4.450 6.962 1.00 0.00 C ATOM 921 CG GLU A 59 16.853 5.763 6.425 1.00 0.00 C ATOM 922 CD GLU A 59 18.383 5.817 6.611 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.875 5.728 7.758 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.110 5.949 5.599 1.00 0.00 O ATOM 0 H GLU A 59 14.886 4.714 4.478 1.00 0.00 H new ATOM 0 HA GLU A 59 14.522 3.239 7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.261 4.486 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.903 3.626 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.612 5.865 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.395 6.608 6.939 1.00 0.00 H new ATOM 931 N LYS A 60 13.107 5.030 7.962 1.00 0.00 N ATOM 932 CA LYS A 60 11.933 5.832 8.313 1.00 0.00 C ATOM 933 C LYS A 60 12.263 7.262 8.724 1.00 0.00 C ATOM 934 O LYS A 60 11.427 8.146 8.550 1.00 0.00 O ATOM 935 CB LYS A 60 11.118 5.151 9.429 1.00 0.00 C ATOM 936 CG LYS A 60 10.573 3.773 9.021 1.00 0.00 C ATOM 937 CD LYS A 60 9.649 3.205 10.110 1.00 0.00 C ATOM 938 CE LYS A 60 9.165 1.781 9.790 1.00 0.00 C ATOM 939 NZ LYS A 60 8.240 1.724 8.628 1.00 0.00 N ATOM 0 H LYS A 60 13.323 4.300 8.641 1.00 0.00 H new ATOM 0 HA LYS A 60 11.341 5.894 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.746 5.040 10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.285 5.796 9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.026 3.857 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.402 3.087 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.177 3.200 11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.786 3.860 10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.029 1.147 9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.664 1.369 10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.950 0.739 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.400 2.304 8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.722 2.089 7.782 1.00 0.00 H new ATOM 953 N LEU A 61 13.442 7.494 9.308 1.00 0.00 N ATOM 954 CA LEU A 61 13.784 8.778 9.908 1.00 0.00 C ATOM 955 C LEU A 61 14.066 9.864 8.872 1.00 0.00 C ATOM 956 O LEU A 61 13.934 11.048 9.178 1.00 0.00 O ATOM 957 CB LEU A 61 14.938 8.656 10.915 1.00 0.00 C ATOM 958 CG LEU A 61 16.277 8.153 10.346 1.00 0.00 C ATOM 959 CD1 LEU A 61 17.451 8.801 11.085 1.00 0.00 C ATOM 960 CD2 LEU A 61 16.420 6.628 10.450 1.00 0.00 C ATOM 0 H LEU A 61 14.182 6.796 9.376 1.00 0.00 H new ATOM 0 HA LEU A 61 12.897 9.093 10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.103 9.633 11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.628 7.981 11.713 1.00 0.00 H new ATOM 0 HG LEU A 61 16.288 8.432 9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.390 8.434 10.670 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.401 9.884 10.968 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.399 8.547 12.144 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.381 6.324 10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.365 6.328 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.616 6.148 9.892 1.00 0.00 H new ATOM 972 N HIS A 62 14.454 9.474 7.661 1.00 0.00 N ATOM 973 CA HIS A 62 14.677 10.387 6.550 1.00 0.00 C ATOM 974 C HIS A 62 13.399 10.381 5.715 1.00 0.00 C ATOM 975 O HIS A 62 12.971 9.306 5.301 1.00 0.00 O ATOM 976 CB HIS A 62 15.882 9.913 5.721 1.00 0.00 C ATOM 977 CG HIS A 62 17.208 9.863 6.448 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.367 9.298 5.961 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.503 10.363 7.690 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.329 9.452 6.886 1.00 0.00 C ATOM 981 NE2 HIS A 62 18.851 10.101 7.964 1.00 0.00 N ATOM 0 H HIS A 62 14.625 8.497 7.423 1.00 0.00 H new ATOM 0 HA HIS A 62 14.899 11.396 6.897 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.664 8.917 5.336 1.00 0.00 H new ATOM 0 HB3 HIS A 62 15.987 10.572 4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 62 16.813 10.873 8.346 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.346 9.103 6.779 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.366 10.351 8.808 1.00 0.00 H new ATOM 989 N THR A 63 12.778 11.534 5.459 1.00 0.00 N ATOM 990 CA THR A 63 11.480 11.595 4.803 1.00 0.00 C ATOM 991 C THR A 63 11.423 12.672 3.719 1.00 0.00 C ATOM 992 O THR A 63 12.024 13.742 3.850 1.00 0.00 O ATOM 993 CB THR A 63 10.402 11.855 5.869 1.00 0.00 C ATOM 994 OG1 THR A 63 10.742 12.953 6.702 1.00 0.00 O ATOM 995 CG2 THR A 63 10.252 10.641 6.782 1.00 0.00 C ATOM 0 H THR A 63 13.163 12.447 5.702 1.00 0.00 H new ATOM 0 HA THR A 63 11.304 10.642 4.305 1.00 0.00 H new ATOM 0 HB THR A 63 9.478 12.064 5.329 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.035 13.091 7.366 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.485 10.841 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.962 9.773 6.189 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.201 10.440 7.279 1.00 0.00 H new ATOM 1003 N VAL A 64 10.648 12.387 2.676 1.00 0.00 N ATOM 1004 CA VAL A 64 10.225 13.341 1.654 1.00 0.00 C ATOM 1005 C VAL A 64 8.733 13.582 1.898 1.00 0.00 C ATOM 1006 O VAL A 64 8.048 12.707 2.440 1.00 0.00 O ATOM 1007 CB VAL A 64 10.417 12.794 0.218 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.792 13.124 -0.355 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.147 11.289 0.078 1.00 0.00 C ATOM 0 H VAL A 64 10.283 11.449 2.513 1.00 0.00 H new ATOM 0 HA VAL A 64 10.825 14.248 1.727 1.00 0.00 H new ATOM 0 HB VAL A 64 9.656 13.314 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.873 12.717 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.922 14.206 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.564 12.685 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.304 10.986 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.828 10.736 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.118 11.076 0.367 1.00 0.00 H new ATOM 1019 N LYS A 65 8.218 14.724 1.442 1.00 0.00 N ATOM 1020 CA LYS A 65 6.809 15.087 1.530 1.00 0.00 C ATOM 1021 C LYS A 65 6.274 15.225 0.114 1.00 0.00 C ATOM 1022 O LYS A 65 6.922 15.875 -0.706 1.00 0.00 O ATOM 1023 CB LYS A 65 6.662 16.389 2.335 1.00 0.00 C ATOM 1024 CG LYS A 65 5.196 16.714 2.658 1.00 0.00 C ATOM 1025 CD LYS A 65 5.074 18.043 3.414 1.00 0.00 C ATOM 1026 CE LYS A 65 3.600 18.327 3.731 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.418 19.597 4.479 1.00 0.00 N ATOM 0 H LYS A 65 8.787 15.439 0.990 1.00 0.00 H new ATOM 0 HA LYS A 65 6.232 14.322 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.226 16.305 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.099 17.213 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.620 16.765 1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.767 15.911 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.652 18.001 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.489 18.853 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.033 18.371 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.191 17.502 4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.407 19.746 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.937 19.547 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.783 20.389 3.912 1.00 0.00 H new ATOM 1041 N VAL A 66 5.139 14.607 -0.202 1.00 0.00 N ATOM 1042 CA VAL A 66 4.610 14.639 -1.567 1.00 0.00 C ATOM 1043 C VAL A 66 3.956 16.004 -1.806 1.00 0.00 C ATOM 1044 O VAL A 66 3.318 16.551 -0.903 1.00 0.00 O ATOM 1045 CB VAL A 66 3.640 13.461 -1.807 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.177 13.385 -3.271 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.300 12.117 -1.453 1.00 0.00 C ATOM 0 H VAL A 66 4.570 14.081 0.461 1.00 0.00 H new ATOM 0 HA VAL A 66 5.417 14.515 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 66 2.780 13.643 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.497 12.542 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.663 14.308 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.042 13.250 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.594 11.306 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.184 11.971 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.590 12.120 -0.402 1.00 0.00 H new ATOM 1057 N LEU A 67 4.084 16.534 -3.028 1.00 0.00 N ATOM 1058 CA LEU A 67 3.451 17.780 -3.456 1.00 0.00 C ATOM 1059 C LEU A 67 2.463 17.506 -4.591 1.00 0.00 C ATOM 1060 O LEU A 67 1.373 18.079 -4.593 1.00 0.00 O ATOM 1061 CB LEU A 67 4.511 18.800 -3.913 1.00 0.00 C ATOM 1062 CG LEU A 67 5.574 19.154 -2.854 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.652 20.026 -3.502 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.988 19.877 -1.637 1.00 0.00 C ATOM 0 H LEU A 67 4.643 16.097 -3.760 1.00 0.00 H new ATOM 0 HA LEU A 67 2.911 18.200 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.016 18.406 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.005 19.716 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 67 5.998 18.218 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.408 20.281 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.118 19.479 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.198 20.939 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.785 20.099 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.518 20.807 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.244 19.240 -1.159 1.00 0.00 H new ATOM 1076 N SER A 68 2.803 16.624 -5.536 1.00 0.00 N ATOM 1077 CA SER A 68 1.925 16.122 -6.599 1.00 0.00 C ATOM 1078 C SER A 68 2.567 14.861 -7.193 1.00 0.00 C ATOM 1079 O SER A 68 3.774 14.672 -7.048 1.00 0.00 O ATOM 1080 CB SER A 68 1.772 17.182 -7.704 1.00 0.00 C ATOM 1081 OG SER A 68 1.020 18.295 -7.255 1.00 0.00 O ATOM 0 H SER A 68 3.739 16.222 -5.583 1.00 0.00 H new ATOM 0 HA SER A 68 0.940 15.897 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.758 17.515 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.283 16.737 -8.571 1.00 0.00 H new ATOM 0 HG SER A 68 0.815 18.189 -6.303 1.00 0.00 H new ATOM 1087 N ALA A 69 1.803 14.019 -7.894 1.00 0.00 N ATOM 1088 CA ALA A 69 2.341 12.909 -8.675 1.00 0.00 C ATOM 1089 C ALA A 69 1.371 12.541 -9.797 1.00 0.00 C ATOM 1090 O ALA A 69 0.177 12.842 -9.709 1.00 0.00 O ATOM 1091 CB ALA A 69 2.596 11.698 -7.767 1.00 0.00 C ATOM 0 H ALA A 69 0.786 14.092 -7.934 1.00 0.00 H new ATOM 0 HA ALA A 69 3.289 13.214 -9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.997 10.876 -8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.312 11.969 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.660 11.387 -7.303 1.00 0.00 H new ATOM 1097 N SER A 70 1.873 11.893 -10.850 1.00 0.00 N ATOM 1098 CA SER A 70 1.093 11.382 -11.983 1.00 0.00 C ATOM 1099 C SER A 70 1.918 10.343 -12.753 1.00 0.00 C ATOM 1100 O SER A 70 3.145 10.336 -12.654 1.00 0.00 O ATOM 1101 CB SER A 70 0.731 12.539 -12.932 1.00 0.00 C ATOM 1102 OG SER A 70 -0.178 13.446 -12.330 1.00 0.00 O ATOM 0 H SER A 70 2.871 11.702 -10.942 1.00 0.00 H new ATOM 0 HA SER A 70 0.181 10.920 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.638 13.070 -13.221 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.293 12.137 -13.845 1.00 0.00 H new ATOM 0 HG SER A 70 -0.239 13.260 -11.370 1.00 0.00 H new ATOM 1108 N SER A 71 1.265 9.491 -13.548 1.00 0.00 N ATOM 1109 CA SER A 71 1.910 8.561 -14.475 1.00 0.00 C ATOM 1110 C SER A 71 2.915 9.289 -15.386 1.00 0.00 C ATOM 1111 O SER A 71 2.723 10.465 -15.712 1.00 0.00 O ATOM 1112 CB SER A 71 0.829 7.852 -15.302 1.00 0.00 C ATOM 1113 OG SER A 71 -0.204 7.358 -14.461 1.00 0.00 O ATOM 0 H SER A 71 0.247 9.428 -13.564 1.00 0.00 H new ATOM 0 HA SER A 71 2.473 7.821 -13.906 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.410 8.545 -16.032 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.274 7.029 -15.862 1.00 0.00 H new ATOM 0 HG SER A 71 -0.884 6.911 -15.007 1.00 0.00 H new ATOM 1119 N TYR A 72 3.996 8.606 -15.783 1.00 0.00 N ATOM 1120 CA TYR A 72 5.103 9.256 -16.477 1.00 0.00 C ATOM 1121 C TYR A 72 4.664 9.764 -17.853 1.00 0.00 C ATOM 1122 O TYR A 72 4.018 9.035 -18.611 1.00 0.00 O ATOM 1123 CB TYR A 72 6.302 8.307 -16.620 1.00 0.00 C ATOM 1124 CG TYR A 72 7.475 8.922 -17.369 1.00 0.00 C ATOM 1125 CD1 TYR A 72 7.560 8.810 -18.771 1.00 0.00 C ATOM 1126 CD2 TYR A 72 8.461 9.645 -16.670 1.00 0.00 C ATOM 1127 CE1 TYR A 72 8.612 9.429 -19.471 1.00 0.00 C ATOM 1128 CE2 TYR A 72 9.516 10.266 -17.362 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.597 10.159 -18.768 1.00 0.00 C ATOM 1130 OH TYR A 72 10.622 10.737 -19.456 1.00 0.00 O ATOM 0 H TYR A 72 4.123 7.605 -15.633 1.00 0.00 H new ATOM 0 HA TYR A 72 5.412 10.110 -15.874 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.634 8.002 -15.628 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.981 7.405 -17.141 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.814 8.246 -19.311 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.406 9.723 -15.594 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.667 9.346 -20.546 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.264 10.824 -16.819 1.00 0.00 H new ATOM 0 HH TYR A 72 11.214 11.203 -18.830 1.00 0.00 H new ATOM 1140 N SER A 73 5.105 10.980 -18.179 1.00 0.00 N ATOM 1141 CA SER A 73 5.040 11.590 -19.493 1.00 0.00 C ATOM 1142 C SER A 73 6.270 12.505 -19.601 1.00 0.00 C ATOM 1143 O SER A 73 6.560 13.218 -18.635 1.00 0.00 O ATOM 1144 CB SER A 73 3.748 12.403 -19.652 1.00 0.00 C ATOM 1145 OG SER A 73 2.591 11.584 -19.586 1.00 0.00 O ATOM 0 H SER A 73 5.540 11.593 -17.490 1.00 0.00 H new ATOM 0 HA SER A 73 5.036 10.834 -20.278 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.699 13.162 -18.871 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.766 12.928 -20.607 1.00 0.00 H new ATOM 0 HG SER A 73 1.790 12.140 -19.690 1.00 0.00 H new ATOM 1151 N PRO A 74 7.001 12.514 -20.730 1.00 0.00 N ATOM 1152 CA PRO A 74 8.282 13.208 -20.821 1.00 0.00 C ATOM 1153 C PRO A 74 8.138 14.719 -20.637 1.00 0.00 C ATOM 1154 O PRO A 74 8.900 15.333 -19.893 1.00 0.00 O ATOM 1155 CB PRO A 74 8.848 12.865 -22.203 1.00 0.00 C ATOM 1156 CG PRO A 74 7.657 12.342 -23.005 1.00 0.00 C ATOM 1157 CD PRO A 74 6.725 11.766 -21.945 1.00 0.00 C ATOM 0 HA PRO A 74 8.951 12.887 -20.022 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.287 13.742 -22.677 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.635 12.114 -22.131 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.175 13.140 -23.570 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.962 11.582 -23.724 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.682 11.872 -22.242 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.908 10.701 -21.799 1.00 0.00 H new ATOM 1165 N ASP A 75 7.143 15.317 -21.296 1.00 0.00 N ATOM 1166 CA ASP A 75 6.883 16.750 -21.190 1.00 0.00 C ATOM 1167 C ASP A 75 6.528 17.134 -19.754 1.00 0.00 C ATOM 1168 O ASP A 75 7.030 18.132 -19.245 1.00 0.00 O ATOM 1169 CB ASP A 75 5.753 17.162 -22.137 1.00 0.00 C ATOM 1170 CG ASP A 75 5.436 18.657 -21.985 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.320 19.489 -22.286 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.297 19.003 -21.600 1.00 0.00 O ATOM 0 H ASP A 75 6.500 14.823 -21.914 1.00 0.00 H new ATOM 0 HA ASP A 75 7.792 17.279 -21.475 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.039 16.949 -23.167 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.861 16.573 -21.925 1.00 0.00 H new ATOM 1177 N GLU A 76 5.708 16.323 -19.077 1.00 0.00 N ATOM 1178 CA GLU A 76 5.292 16.592 -17.704 1.00 0.00 C ATOM 1179 C GLU A 76 6.481 16.492 -16.746 1.00 0.00 C ATOM 1180 O GLU A 76 6.568 17.273 -15.798 1.00 0.00 O ATOM 1181 CB GLU A 76 4.189 15.615 -17.264 1.00 0.00 C ATOM 1182 CG GLU A 76 2.881 15.740 -18.063 1.00 0.00 C ATOM 1183 CD GLU A 76 2.198 17.118 -17.947 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.197 17.729 -16.856 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.607 17.584 -18.947 1.00 0.00 O ATOM 0 H GLU A 76 5.317 15.465 -19.467 1.00 0.00 H new ATOM 0 HA GLU A 76 4.897 17.607 -17.671 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.563 14.596 -17.358 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.974 15.779 -16.208 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.090 15.538 -19.114 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.186 14.973 -17.723 1.00 0.00 H new ATOM 1192 N TRP A 77 7.390 15.540 -16.974 1.00 0.00 N ATOM 1193 CA TRP A 77 8.612 15.391 -16.195 1.00 0.00 C ATOM 1194 C TRP A 77 9.466 16.647 -16.362 1.00 0.00 C ATOM 1195 O TRP A 77 9.887 17.236 -15.365 1.00 0.00 O ATOM 1196 CB TRP A 77 9.333 14.113 -16.654 1.00 0.00 C ATOM 1197 CG TRP A 77 10.731 13.862 -16.170 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.761 13.565 -16.986 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.282 13.799 -14.817 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.912 13.365 -16.256 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.673 13.481 -14.903 1.00 0.00 C ATOM 1202 CE3 TRP A 77 10.751 13.959 -13.522 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 13.489 13.343 -13.770 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 11.552 13.789 -12.377 1.00 0.00 C ATOM 1205 CH2 TRP A 77 12.921 13.490 -12.494 1.00 0.00 C ATOM 0 H TRP A 77 7.292 14.845 -17.714 1.00 0.00 H new ATOM 0 HA TRP A 77 8.399 15.286 -15.131 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.721 13.262 -16.354 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.357 14.120 -17.744 1.00 0.00 H new ATOM 0 HD1 TRP A 77 11.694 13.494 -18.062 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.824 13.158 -16.664 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.709 14.217 -13.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 14.542 13.126 -13.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 11.110 13.889 -11.397 1.00 0.00 H new ATOM 0 HH2 TRP A 77 13.531 13.374 -11.610 1.00 0.00 H new ATOM 1216 N GLU A 78 9.667 17.105 -17.601 1.00 0.00 N ATOM 1217 CA GLU A 78 10.479 18.281 -17.885 1.00 0.00 C ATOM 1218 C GLU A 78 9.886 19.539 -17.264 1.00 0.00 C ATOM 1219 O GLU A 78 10.602 20.300 -16.612 1.00 0.00 O ATOM 1220 CB GLU A 78 10.676 18.446 -19.400 1.00 0.00 C ATOM 1221 CG GLU A 78 11.660 17.431 -19.999 1.00 0.00 C ATOM 1222 CD GLU A 78 13.118 17.730 -19.603 1.00 0.00 C ATOM 1223 OE1 GLU A 78 13.772 18.565 -20.269 1.00 0.00 O ATOM 1224 OE2 GLU A 78 13.634 17.122 -18.639 1.00 0.00 O ATOM 0 H GLU A 78 9.269 16.668 -18.432 1.00 0.00 H new ATOM 0 HA GLU A 78 11.457 18.130 -17.427 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.712 18.344 -19.898 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.035 19.454 -19.605 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.393 16.428 -19.665 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.571 17.439 -21.085 1.00 0.00 H new ATOM 1231 N ARG A 79 8.580 19.744 -17.405 1.00 0.00 N ATOM 1232 CA ARG A 79 7.886 20.868 -16.794 1.00 0.00 C ATOM 1233 C ARG A 79 8.075 20.856 -15.283 1.00 0.00 C ATOM 1234 O ARG A 79 8.486 21.872 -14.726 1.00 0.00 O ATOM 1235 CB ARG A 79 6.404 20.799 -17.179 1.00 0.00 C ATOM 1236 CG ARG A 79 5.975 21.742 -18.322 1.00 0.00 C ATOM 1237 CD ARG A 79 6.632 21.485 -19.688 1.00 0.00 C ATOM 1238 NE ARG A 79 8.006 22.013 -19.780 1.00 0.00 N ATOM 1239 CZ ARG A 79 8.958 21.580 -20.618 1.00 0.00 C ATOM 1240 NH1 ARG A 79 8.705 20.628 -21.512 1.00 0.00 N ATOM 1241 NH2 ARG A 79 10.175 22.111 -20.560 1.00 0.00 N ATOM 0 H ARG A 79 7.972 19.131 -17.949 1.00 0.00 H new ATOM 0 HA ARG A 79 8.302 21.807 -17.159 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.168 19.775 -17.467 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.806 21.028 -16.297 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.894 21.668 -18.441 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.194 22.767 -18.023 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.648 20.412 -19.880 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.022 21.939 -20.469 1.00 0.00 H new ATOM 0 HE ARG A 79 8.254 22.776 -19.150 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.774 20.215 -21.568 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.442 20.311 -22.142 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.380 22.844 -19.880 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.904 21.786 -21.195 1.00 0.00 H new ATOM 1255 N GLN A 80 7.835 19.724 -14.616 1.00 0.00 N ATOM 1256 CA GLN A 80 8.003 19.639 -13.170 1.00 0.00 C ATOM 1257 C GLN A 80 9.452 19.964 -12.786 1.00 0.00 C ATOM 1258 O GLN A 80 9.674 20.700 -11.824 1.00 0.00 O ATOM 1259 CB GLN A 80 7.528 18.267 -12.653 1.00 0.00 C ATOM 1260 CG GLN A 80 5.991 18.189 -12.685 1.00 0.00 C ATOM 1261 CD GLN A 80 5.428 16.788 -12.472 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.140 16.369 -11.354 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.219 16.058 -13.555 1.00 0.00 N ATOM 0 H GLN A 80 7.525 18.858 -15.056 1.00 0.00 H new ATOM 0 HA GLN A 80 7.376 20.385 -12.682 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.952 17.472 -13.267 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.886 18.110 -11.636 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.590 18.850 -11.917 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.640 18.567 -13.645 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.466 16.426 -14.474 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.811 15.127 -13.472 1.00 0.00 H new ATOM 1272 N CYS A 81 10.442 19.504 -13.561 1.00 0.00 N ATOM 1273 CA CYS A 81 11.843 19.830 -13.314 1.00 0.00 C ATOM 1274 C CYS A 81 12.119 21.332 -13.447 1.00 0.00 C ATOM 1275 O CYS A 81 12.907 21.867 -12.667 1.00 0.00 O ATOM 1276 CB CYS A 81 12.755 19.044 -14.260 1.00 0.00 C ATOM 1277 SG CYS A 81 12.658 17.268 -13.889 1.00 0.00 S ATOM 0 H CYS A 81 10.292 18.901 -14.369 1.00 0.00 H new ATOM 0 HA CYS A 81 12.060 19.544 -12.285 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.461 19.224 -15.294 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.784 19.389 -14.156 1.00 0.00 H new ATOM 0 HG CYS A 81 11.559 16.781 -14.384 1.00 0.00 H new