USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Set 1.1: B 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C 1 LYS N :NH3+ -160:sc= -0.0747 (180deg=-0.428) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 1 LYS N :NH3+ -161:sc= -0.0537 (180deg=-0.398) USER MOD Set 3.1: A 1 LYS N :NH3+ -160:sc= -0.0416 (180deg=-0.43) USER MOD Set 3.2: C 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -3.22! C(o=-3.2!,f=-8.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.0593 (180deg=-0.503) USER MOD Single : A 13 LYS NZ :NH3+ 132:sc= -0.0509 (180deg=-0.429) USER MOD Single : A 18 SER OG : rot -79:sc= 0.995 USER MOD Single : A 19 SER OG : rot -75:sc= 0.246 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -3.22 K(o=-3.2,f=-9.3!) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 CYS SG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 162:sc= -0.0745 (180deg=-0.503) USER MOD Single : B 13 LYS NZ :NH3+ 162:sc= -0.0365 (180deg=-0.416) USER MOD Single : B 18 SER OG : rot -93:sc= 0.949 USER MOD Single : B 19 SER OG : rot -72:sc= 0.234 USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= -3.15 K(o=-3.2,f=-9.3!) USER MOD Single : C 9 THR OG1 : rot 180:sc= 0 USER MOD Single : C 11 CYS SG : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ 162:sc= -0.0391 (180deg=-0.496) USER MOD Single : C 13 LYS NZ :NH3+ 161:sc= -0.03 (180deg=-0.446) USER MOD Single : C 18 SER OG : rot -107:sc= 0.962 USER MOD Single : C 19 SER OG : rot -75:sc= 0.222 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.611 4.754 16.171 1.00 0.00 N ATOM 2 CA LYS A 1 -7.719 5.673 15.932 1.00 0.00 C ATOM 3 C LYS A 1 -7.212 6.959 15.297 1.00 0.00 C ATOM 4 O LYS A 1 -7.939 7.949 15.204 1.00 0.00 O ATOM 5 CB LYS A 1 -8.432 5.992 17.245 1.00 0.00 C ATOM 6 CG LYS A 1 -9.141 4.739 17.757 1.00 0.00 C ATOM 7 CD LYS A 1 -9.835 5.052 19.084 1.00 0.00 C ATOM 8 CE LYS A 1 -10.548 3.799 19.594 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.208 4.099 20.897 1.00 0.00 N ATOM 0 H3 LYS A 1 -6.979 3.787 16.277 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.423 5.196 15.251 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.714 6.344 17.985 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.153 6.795 17.094 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.872 4.397 17.024 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.422 3.931 17.892 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.104 5.392 19.818 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.552 5.862 18.950 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.289 3.468 18.867 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.834 2.985 19.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.693 3.247 21.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.491 4.396 21.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.901 4.864 20.767 1.00 0.00 H new ATOM 23 N ASN A 2 -5.957 6.941 14.875 1.00 0.00 N ATOM 24 CA ASN A 2 -5.347 8.114 14.263 1.00 0.00 C ATOM 25 C ASN A 2 -6.076 8.502 12.971 1.00 0.00 C ATOM 26 O ASN A 2 -6.646 7.646 12.294 1.00 0.00 O ATOM 27 CB ASN A 2 -3.869 7.822 13.965 1.00 0.00 C ATOM 28 CG ASN A 2 -3.737 6.566 13.114 1.00 0.00 C ATOM 29 OD1 ASN A 2 -4.665 5.763 13.040 1.00 0.00 O ATOM 30 ND2 ASN A 2 -2.627 6.351 12.463 1.00 0.00 N ATOM 0 H ASN A 2 -5.342 6.130 14.944 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.424 8.950 14.958 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.422 8.670 13.446 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.321 7.695 14.899 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.526 5.514 11.889 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.860 7.020 12.528 1.00 0.00 H new ATOM 37 N PRO A 3 -6.065 9.769 12.611 1.00 0.00 N ATOM 38 CA PRO A 3 -6.736 10.256 11.364 1.00 0.00 C ATOM 39 C PRO A 3 -6.115 9.648 10.106 1.00 0.00 C ATOM 40 O PRO A 3 -6.723 9.644 9.039 1.00 0.00 O ATOM 41 CB PRO A 3 -6.541 11.784 11.414 1.00 0.00 C ATOM 42 CG PRO A 3 -5.363 11.995 12.307 1.00 0.00 C ATOM 43 CD PRO A 3 -5.431 10.884 13.346 1.00 0.00 C ATOM 0 HA PRO A 3 -7.786 9.968 11.319 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.360 12.191 10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.428 12.282 11.806 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.431 11.948 11.744 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.401 12.976 12.780 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.440 10.613 13.711 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.020 11.180 14.214 1.00 0.00 H new ATOM 51 N GLU A 4 -4.900 9.136 10.242 1.00 0.00 N ATOM 52 CA GLU A 4 -4.207 8.526 9.112 1.00 0.00 C ATOM 53 C GLU A 4 -4.944 7.272 8.646 1.00 0.00 C ATOM 54 O GLU A 4 -4.675 6.751 7.565 1.00 0.00 O ATOM 55 CB GLU A 4 -2.775 8.168 9.503 1.00 0.00 C ATOM 56 CG GLU A 4 -1.985 9.452 9.755 1.00 0.00 C ATOM 57 CD GLU A 4 -0.570 9.113 10.205 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.204 10.033 10.408 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.280 7.935 10.340 1.00 0.00 O ATOM 0 H GLU A 4 -4.375 9.130 11.117 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.185 9.245 8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.775 7.546 10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.304 7.587 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.952 10.053 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.484 10.052 10.516 1.00 0.00 H new ATOM 66 N ALA A 5 -5.868 6.793 9.475 1.00 0.00 N ATOM 67 CA ALA A 5 -6.639 5.595 9.150 1.00 0.00 C ATOM 68 C ALA A 5 -7.402 5.786 7.842 1.00 0.00 C ATOM 69 O ALA A 5 -7.680 4.821 7.130 1.00 0.00 O ATOM 70 CB ALA A 5 -7.626 5.288 10.278 1.00 0.00 C ATOM 0 H ALA A 5 -6.101 7.214 10.374 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.947 4.761 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.197 4.394 10.028 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.078 5.122 11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.307 6.130 10.405 1.00 0.00 H new ATOM 76 N GLU A 6 -7.735 7.030 7.526 1.00 0.00 N ATOM 77 CA GLU A 6 -8.457 7.329 6.298 1.00 0.00 C ATOM 78 C GLU A 6 -7.633 6.901 5.086 1.00 0.00 C ATOM 79 O GLU A 6 -8.176 6.404 4.098 1.00 0.00 O ATOM 80 CB GLU A 6 -8.745 8.830 6.221 1.00 0.00 C ATOM 81 CG GLU A 6 -9.831 9.207 7.235 1.00 0.00 C ATOM 82 CD GLU A 6 -9.263 9.204 8.650 1.00 0.00 C ATOM 83 OE1 GLU A 6 -9.011 10.278 9.169 1.00 0.00 O ATOM 84 OE2 GLU A 6 -9.095 8.126 9.197 1.00 0.00 O ATOM 0 H GLU A 6 -7.518 7.845 8.100 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.398 6.779 6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.835 9.394 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.067 9.096 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.231 10.193 6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.660 8.503 7.168 1.00 0.00 H new ATOM 91 N GLU A 7 -6.322 7.090 5.166 1.00 0.00 N ATOM 92 CA GLU A 7 -5.440 6.709 4.068 1.00 0.00 C ATOM 93 C GLU A 7 -5.500 5.202 3.834 1.00 0.00 C ATOM 94 O GLU A 7 -5.482 4.739 2.695 1.00 0.00 O ATOM 95 CB GLU A 7 -3.997 7.136 4.368 1.00 0.00 C ATOM 96 CG GLU A 7 -3.082 6.735 3.202 1.00 0.00 C ATOM 97 CD GLU A 7 -3.533 7.430 1.921 1.00 0.00 C ATOM 98 OE1 GLU A 7 -3.279 6.890 0.857 1.00 0.00 O ATOM 99 OE2 GLU A 7 -4.122 8.494 2.024 1.00 0.00 O ATOM 0 H GLU A 7 -5.849 7.501 5.971 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.777 7.218 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.952 8.214 4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.653 6.667 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.051 7.006 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.105 5.654 3.066 1.00 0.00 H new ATOM 106 N ILE A 8 -5.570 4.444 4.921 1.00 0.00 N ATOM 107 CA ILE A 8 -5.631 2.988 4.827 1.00 0.00 C ATOM 108 C ILE A 8 -6.891 2.575 4.073 1.00 0.00 C ATOM 109 O ILE A 8 -6.856 1.675 3.233 1.00 0.00 O ATOM 110 CB ILE A 8 -5.623 2.377 6.240 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.191 2.375 6.796 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.146 0.933 6.197 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.565 3.764 6.654 1.00 0.00 C ATOM 0 H ILE A 8 -5.586 4.809 5.873 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.761 2.620 4.282 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.268 2.976 6.882 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.201 2.079 7.845 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.588 1.640 6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.135 0.512 7.202 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.166 0.927 5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.509 0.334 5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.550 3.748 7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.538 4.045 5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.161 4.490 7.208 1.00 0.00 H new ATOM 125 N THR A 9 -8.002 3.230 4.375 1.00 0.00 N ATOM 126 CA THR A 9 -9.257 2.908 3.711 1.00 0.00 C ATOM 127 C THR A 9 -9.120 3.134 2.209 1.00 0.00 C ATOM 128 O THR A 9 -9.561 2.311 1.406 1.00 0.00 O ATOM 129 CB THR A 9 -10.377 3.789 4.266 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.541 3.522 5.652 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.681 3.492 3.527 1.00 0.00 C ATOM 0 H THR A 9 -8.061 3.978 5.066 1.00 0.00 H new ATOM 0 HA THR A 9 -9.500 1.861 3.895 1.00 0.00 H new ATOM 0 HB THR A 9 -10.118 4.838 4.125 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.257 4.086 6.011 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.477 4.122 3.925 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.552 3.699 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.946 2.443 3.663 1.00 0.00 H new ATOM 139 N ARG A 10 -8.490 4.240 1.835 1.00 0.00 N ATOM 140 CA ARG A 10 -8.283 4.545 0.425 1.00 0.00 C ATOM 141 C ARG A 10 -7.402 3.478 -0.219 1.00 0.00 C ATOM 142 O ARG A 10 -7.658 3.034 -1.339 1.00 0.00 O ATOM 143 CB ARG A 10 -7.630 5.921 0.276 1.00 0.00 C ATOM 144 CG ARG A 10 -7.485 6.257 -1.209 1.00 0.00 C ATOM 145 CD ARG A 10 -6.960 7.686 -1.366 1.00 0.00 C ATOM 146 NE ARG A 10 -5.599 7.795 -0.846 1.00 0.00 N ATOM 147 CZ ARG A 10 -4.978 8.969 -0.801 1.00 0.00 C ATOM 148 NH1 ARG A 10 -3.760 9.047 -0.343 1.00 0.00 N ATOM 149 NH2 ARG A 10 -5.584 10.044 -1.223 1.00 0.00 N ATOM 0 H ARG A 10 -8.116 4.935 2.481 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.250 4.555 -0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.235 6.679 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.653 5.926 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.802 5.554 -1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.448 6.156 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.977 7.972 -2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.614 8.379 -0.837 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.119 6.959 -0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.282 8.206 -0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.285 9.949 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.535 9.984 -1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.107 10.945 -1.188 1.00 0.00 H new ATOM 163 N CYS A 11 -6.360 3.072 0.498 1.00 0.00 N ATOM 164 CA CYS A 11 -5.444 2.055 -0.004 1.00 0.00 C ATOM 165 C CYS A 11 -6.196 0.763 -0.305 1.00 0.00 C ATOM 166 O CYS A 11 -5.941 0.100 -1.309 1.00 0.00 O ATOM 167 CB CYS A 11 -4.357 1.781 1.032 1.00 0.00 C ATOM 168 SG CYS A 11 -3.019 0.834 0.259 1.00 0.00 S ATOM 0 H CYS A 11 -6.129 3.430 1.425 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.988 2.422 -0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.971 2.720 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.772 1.226 1.873 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.090 0.600 1.137 1.00 0.00 H new ATOM 173 N LYS A 12 -7.130 0.419 0.573 1.00 0.00 N ATOM 174 CA LYS A 12 -7.924 -0.789 0.396 1.00 0.00 C ATOM 175 C LYS A 12 -8.719 -0.709 -0.900 1.00 0.00 C ATOM 176 O LYS A 12 -8.816 -1.686 -1.642 1.00 0.00 O ATOM 177 CB LYS A 12 -8.877 -0.963 1.581 1.00 0.00 C ATOM 178 CG LYS A 12 -9.676 -2.259 1.417 1.00 0.00 C ATOM 179 CD LYS A 12 -10.588 -2.457 2.628 1.00 0.00 C ATOM 180 CE LYS A 12 -11.424 -3.723 2.435 1.00 0.00 C ATOM 181 NZ LYS A 12 -10.523 -4.908 2.351 1.00 0.00 N ATOM 0 H LYS A 12 -7.355 0.956 1.410 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.254 -1.647 0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.312 -0.988 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.555 -0.112 1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.271 -2.218 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.997 -3.106 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.991 -2.537 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.241 -1.593 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.121 -3.841 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.021 -3.642 1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.071 -5.774 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.097 -4.953 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.772 -4.824 3.065 1.00 0.00 H new ATOM 195 N LYS A 13 -9.288 0.460 -1.165 1.00 0.00 N ATOM 196 CA LYS A 13 -10.077 0.656 -2.374 1.00 0.00 C ATOM 197 C LYS A 13 -9.212 0.420 -3.608 1.00 0.00 C ATOM 198 O LYS A 13 -9.655 -0.196 -4.576 1.00 0.00 O ATOM 199 CB LYS A 13 -10.644 2.079 -2.409 1.00 0.00 C ATOM 200 CG LYS A 13 -11.557 2.236 -3.628 1.00 0.00 C ATOM 201 CD LYS A 13 -12.143 3.649 -3.649 1.00 0.00 C ATOM 202 CE LYS A 13 -13.049 3.813 -4.872 1.00 0.00 C ATOM 203 NZ LYS A 13 -14.216 2.892 -4.758 1.00 0.00 N ATOM 0 H LYS A 13 -9.219 1.281 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.901 -0.057 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.202 2.282 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.832 2.804 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.994 2.051 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.359 1.499 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.711 3.831 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.340 4.386 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.393 4.845 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.490 3.597 -5.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.092 3.415 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.113 2.115 -5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.258 2.502 -3.795 1.00 0.00 H new ATOM 217 N LEU A 14 -7.983 0.921 -3.568 1.00 0.00 N ATOM 218 CA LEU A 14 -7.074 0.759 -4.697 1.00 0.00 C ATOM 219 C LEU A 14 -6.779 -0.715 -4.949 1.00 0.00 C ATOM 220 O LEU A 14 -6.749 -1.162 -6.095 1.00 0.00 O ATOM 221 CB LEU A 14 -5.760 1.499 -4.407 1.00 0.00 C ATOM 222 CG LEU A 14 -5.984 3.022 -4.446 1.00 0.00 C ATOM 223 CD1 LEU A 14 -4.746 3.741 -3.897 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.234 3.487 -5.893 1.00 0.00 C ATOM 0 H LEU A 14 -7.596 1.436 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.548 1.176 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.378 1.206 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.006 1.217 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.854 3.262 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.908 4.818 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.570 3.428 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.878 3.488 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.391 4.566 -5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.370 3.238 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.118 2.987 -6.288 1.00 0.00 H new ATOM 236 N LEU A 15 -6.558 -1.465 -3.879 1.00 0.00 N ATOM 237 CA LEU A 15 -6.267 -2.885 -4.014 1.00 0.00 C ATOM 238 C LEU A 15 -7.474 -3.630 -4.585 1.00 0.00 C ATOM 239 O LEU A 15 -7.337 -4.489 -5.455 1.00 0.00 O ATOM 240 CB LEU A 15 -5.906 -3.452 -2.641 1.00 0.00 C ATOM 241 CG LEU A 15 -4.575 -2.851 -2.163 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.340 -3.248 -0.703 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.403 -3.351 -3.033 1.00 0.00 C ATOM 0 H LEU A 15 -6.574 -1.120 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.430 -3.015 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.696 -3.225 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.827 -4.538 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.627 -1.766 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.397 -2.824 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.155 -2.868 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.301 -4.334 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.471 -2.912 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.340 -4.437 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.568 -3.057 -4.070 1.00 0.00 H new ATOM 255 N ASP A 16 -8.661 -3.279 -4.098 1.00 0.00 N ATOM 256 CA ASP A 16 -9.895 -3.903 -4.569 1.00 0.00 C ATOM 257 C ASP A 16 -10.135 -3.582 -6.041 1.00 0.00 C ATOM 258 O ASP A 16 -10.611 -4.420 -6.806 1.00 0.00 O ATOM 259 CB ASP A 16 -11.079 -3.429 -3.726 1.00 0.00 C ATOM 260 CG ASP A 16 -11.002 -4.052 -2.333 1.00 0.00 C ATOM 261 OD1 ASP A 16 -11.711 -3.584 -1.458 1.00 0.00 O ATOM 262 OD2 ASP A 16 -10.235 -4.985 -2.162 1.00 0.00 O ATOM 0 H ASP A 16 -8.795 -2.568 -3.379 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.796 -4.983 -4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.071 -2.342 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.016 -3.708 -4.208 1.00 0.00 H new ATOM 267 N ASP A 17 -9.804 -2.355 -6.423 1.00 0.00 N ATOM 268 CA ASP A 17 -9.984 -1.905 -7.798 1.00 0.00 C ATOM 269 C ASP A 17 -9.076 -2.688 -8.737 1.00 0.00 C ATOM 270 O ASP A 17 -9.190 -2.580 -9.956 1.00 0.00 O ATOM 271 CB ASP A 17 -9.679 -0.409 -7.910 1.00 0.00 C ATOM 272 CG ASP A 17 -10.781 0.399 -7.235 1.00 0.00 C ATOM 273 OD1 ASP A 17 -11.827 -0.168 -6.966 1.00 0.00 O ATOM 274 OD2 ASP A 17 -10.563 1.576 -6.994 1.00 0.00 O ATOM 0 H ASP A 17 -9.409 -1.652 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.021 -2.079 -8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.718 -0.189 -7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.598 -0.123 -8.959 1.00 0.00 H new ATOM 279 N SER A 18 -8.162 -3.463 -8.166 1.00 0.00 N ATOM 280 CA SER A 18 -7.232 -4.240 -8.971 1.00 0.00 C ATOM 281 C SER A 18 -7.980 -5.194 -9.889 1.00 0.00 C ATOM 282 O SER A 18 -7.464 -5.606 -10.928 1.00 0.00 O ATOM 283 CB SER A 18 -6.305 -5.043 -8.058 1.00 0.00 C ATOM 284 OG SER A 18 -7.079 -5.978 -7.314 1.00 0.00 O ATOM 0 H SER A 18 -8.046 -3.569 -7.158 1.00 0.00 H new ATOM 0 HA SER A 18 -6.647 -3.551 -9.580 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.553 -5.564 -8.650 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.771 -4.375 -7.382 1.00 0.00 H new ATOM 0 HG SER A 18 -7.512 -5.520 -6.564 1.00 0.00 H new ATOM 290 N SER A 19 -9.198 -5.533 -9.504 1.00 0.00 N ATOM 291 CA SER A 19 -10.022 -6.436 -10.308 1.00 0.00 C ATOM 292 C SER A 19 -10.729 -5.679 -11.425 1.00 0.00 C ATOM 293 O SER A 19 -11.270 -6.279 -12.353 1.00 0.00 O ATOM 294 CB SER A 19 -11.057 -7.132 -9.423 1.00 0.00 C ATOM 295 OG SER A 19 -12.001 -6.175 -8.960 1.00 0.00 O ATOM 0 H SER A 19 -9.641 -5.203 -8.647 1.00 0.00 H new ATOM 0 HA SER A 19 -9.367 -7.183 -10.756 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.564 -7.917 -9.985 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.565 -7.612 -8.577 1.00 0.00 H new ATOM 0 HG SER A 19 -11.595 -5.630 -8.254 1.00 0.00 H new ATOM 301 N SER A 20 -10.713 -4.360 -11.325 1.00 0.00 N ATOM 302 CA SER A 20 -11.348 -3.509 -12.326 1.00 0.00 C ATOM 303 C SER A 20 -10.445 -3.331 -13.543 1.00 0.00 C ATOM 304 O SER A 20 -9.222 -3.256 -13.415 1.00 0.00 O ATOM 305 CB SER A 20 -11.680 -2.140 -11.726 1.00 0.00 C ATOM 306 OG SER A 20 -12.355 -1.353 -12.699 1.00 0.00 O ATOM 0 H SER A 20 -10.267 -3.852 -10.561 1.00 0.00 H new ATOM 0 HA SER A 20 -12.270 -3.996 -12.645 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.305 -2.260 -10.841 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.766 -1.639 -11.406 1.00 0.00 H new ATOM 0 HG SER A 20 -12.571 -0.476 -12.318 1.00 0.00 H new ATOM 313 N LYS B 1 -11.056 -3.249 -14.720 1.00 0.00 N ATOM 314 CA LYS B 1 -10.303 -3.060 -15.955 1.00 0.00 C ATOM 315 C LYS B 1 -9.860 -1.610 -16.088 1.00 0.00 C ATOM 316 O LYS B 1 -9.395 -1.183 -17.145 1.00 0.00 O ATOM 317 CB LYS B 1 -11.160 -3.447 -17.161 1.00 0.00 C ATOM 318 CG LYS B 1 -11.399 -4.956 -17.154 1.00 0.00 C ATOM 319 CD LYS B 1 -12.277 -5.340 -18.347 1.00 0.00 C ATOM 320 CE LYS B 1 -12.514 -6.850 -18.341 1.00 0.00 C ATOM 321 NZ LYS B 1 -13.386 -7.220 -19.490 1.00 0.00 N ATOM 0 H3 LYS B 1 -11.075 -4.260 -14.476 1.00 0.00 H new ATOM 0 HA LYS B 1 -9.421 -3.700 -15.922 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -12.112 -2.917 -17.129 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -10.662 -3.151 -18.084 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -10.448 -5.486 -17.204 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.881 -5.254 -16.223 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -13.229 -4.812 -18.296 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -11.795 -5.041 -19.278 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -11.563 -7.378 -18.407 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.982 -7.152 -17.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -13.548 -8.247 -19.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -14.297 -6.726 -19.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -12.923 -6.946 -20.380 1.00 0.00 H new ATOM 335 N ASN B 2 -10.023 -0.857 -15.010 1.00 0.00 N ATOM 336 CA ASN B 2 -9.651 0.552 -15.011 1.00 0.00 C ATOM 337 C ASN B 2 -8.149 0.724 -15.260 1.00 0.00 C ATOM 338 O ASN B 2 -7.353 -0.150 -14.913 1.00 0.00 O ATOM 339 CB ASN B 2 -10.038 1.181 -13.664 1.00 0.00 C ATOM 340 CG ASN B 2 -9.420 0.398 -12.515 1.00 0.00 C ATOM 341 OD1 ASN B 2 -9.012 -0.750 -12.691 1.00 0.00 O ATOM 342 ND2 ASN B 2 -9.322 0.958 -11.341 1.00 0.00 N ATOM 0 H ASN B 2 -10.408 -1.195 -14.128 1.00 0.00 H new ATOM 0 HA ASN B 2 -10.185 1.054 -15.818 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.701 2.217 -13.629 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -11.123 1.195 -13.561 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -8.906 0.444 -10.564 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -9.661 1.909 -11.200 1.00 0.00 H new ATOM 349 N PRO B 3 -7.741 1.832 -15.845 1.00 0.00 N ATOM 350 CA PRO B 3 -6.297 2.109 -16.129 1.00 0.00 C ATOM 351 C PRO B 3 -5.470 2.198 -14.844 1.00 0.00 C ATOM 352 O PRO B 3 -4.248 2.070 -14.869 1.00 0.00 O ATOM 353 CB PRO B 3 -6.320 3.451 -16.887 1.00 0.00 C ATOM 354 CG PRO B 3 -7.618 4.087 -16.508 1.00 0.00 C ATOM 355 CD PRO B 3 -8.599 2.938 -16.319 1.00 0.00 C ATOM 0 HA PRO B 3 -5.827 1.312 -16.705 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.475 4.079 -16.604 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -6.256 3.297 -17.964 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -7.516 4.670 -15.592 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -7.961 4.771 -17.285 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -9.373 3.186 -15.593 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -9.105 2.684 -17.250 1.00 0.00 H new ATOM 363 N GLU B 4 -6.146 2.416 -13.726 1.00 0.00 N ATOM 364 CA GLU B 4 -5.467 2.516 -12.439 1.00 0.00 C ATOM 365 C GLU B 4 -4.819 1.182 -12.073 1.00 0.00 C ATOM 366 O GLU B 4 -3.997 1.113 -11.161 1.00 0.00 O ATOM 367 CB GLU B 4 -6.455 2.927 -11.352 1.00 0.00 C ATOM 368 CG GLU B 4 -6.923 4.359 -11.612 1.00 0.00 C ATOM 369 CD GLU B 4 -7.965 4.763 -10.575 1.00 0.00 C ATOM 370 OE1 GLU B 4 -8.410 5.897 -10.622 1.00 0.00 O ATOM 371 OE2 GLU B 4 -8.302 3.930 -9.750 1.00 0.00 O ATOM 0 H GLU B 4 -7.159 2.527 -13.682 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.689 3.275 -12.518 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -7.308 2.249 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.984 2.858 -10.371 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.074 5.041 -11.571 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.346 4.436 -12.614 1.00 0.00 H new ATOM 378 N ALA B 5 -5.203 0.127 -12.785 1.00 0.00 N ATOM 379 CA ALA B 5 -4.665 -1.207 -12.529 1.00 0.00 C ATOM 380 C ALA B 5 -3.147 -1.210 -12.680 1.00 0.00 C ATOM 381 O ALA B 5 -2.453 -2.009 -12.050 1.00 0.00 O ATOM 382 CB ALA B 5 -5.280 -2.214 -13.503 1.00 0.00 C ATOM 0 H ALA B 5 -5.884 0.169 -13.543 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.917 -1.491 -11.507 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.874 -3.206 -13.306 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -6.362 -2.232 -13.372 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -5.043 -1.922 -14.526 1.00 0.00 H new ATOM 388 N GLU B 6 -2.633 -0.314 -13.513 1.00 0.00 N ATOM 389 CA GLU B 6 -1.196 -0.223 -13.727 1.00 0.00 C ATOM 390 C GLU B 6 -0.487 0.114 -12.418 1.00 0.00 C ATOM 391 O GLU B 6 0.600 -0.394 -12.141 1.00 0.00 O ATOM 392 CB GLU B 6 -0.899 0.858 -14.769 1.00 0.00 C ATOM 393 CG GLU B 6 -1.320 0.374 -16.161 1.00 0.00 C ATOM 394 CD GLU B 6 -2.838 0.407 -16.299 1.00 0.00 C ATOM 395 OE1 GLU B 6 -3.335 1.320 -16.937 1.00 0.00 O ATOM 396 OE2 GLU B 6 -3.480 -0.486 -15.770 1.00 0.00 O ATOM 0 H GLU B 6 -3.186 0.356 -14.048 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.830 -1.185 -14.087 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -1.433 1.774 -14.517 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.164 1.097 -14.764 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.865 1.005 -16.925 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -0.955 -0.640 -16.326 1.00 0.00 H new ATOM 403 N GLU B 7 -1.108 0.966 -11.611 1.00 0.00 N ATOM 404 CA GLU B 7 -0.523 1.351 -10.330 1.00 0.00 C ATOM 405 C GLU B 7 -0.392 0.133 -9.419 1.00 0.00 C ATOM 406 O GLU B 7 0.595 -0.012 -8.700 1.00 0.00 O ATOM 407 CB GLU B 7 -1.382 2.425 -9.650 1.00 0.00 C ATOM 408 CG GLU B 7 -0.754 2.821 -8.306 1.00 0.00 C ATOM 409 CD GLU B 7 0.641 3.394 -8.531 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.454 3.295 -7.626 1.00 0.00 O ATOM 411 OE2 GLU B 7 0.875 3.928 -9.603 1.00 0.00 O ATOM 0 H GLU B 7 -2.008 1.400 -11.817 1.00 0.00 H new ATOM 0 HA GLU B 7 0.470 1.761 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.464 3.300 -10.295 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.393 2.049 -9.493 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.382 3.557 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.698 1.951 -7.651 1.00 0.00 H new ATOM 418 N ILE B 8 -1.393 -0.737 -9.454 1.00 0.00 N ATOM 419 CA ILE B 8 -1.383 -1.940 -8.627 1.00 0.00 C ATOM 420 C ILE B 8 -0.191 -2.813 -9.007 1.00 0.00 C ATOM 421 O ILE B 8 0.490 -3.361 -8.141 1.00 0.00 O ATOM 422 CB ILE B 8 -2.701 -2.713 -8.818 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.815 -2.045 -8.000 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.538 -4.167 -8.351 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.868 -0.546 -8.302 1.00 0.00 C ATOM 0 H ILE B 8 -2.219 -0.634 -10.043 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.292 -1.661 -7.577 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.961 -2.702 -9.876 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.775 -2.505 -8.236 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.639 -2.203 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.477 -4.702 -8.492 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.754 -4.651 -8.934 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.267 -4.182 -7.295 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.662 -0.085 -7.715 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.913 -0.089 -8.043 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -4.066 -0.395 -9.363 1.00 0.00 H new ATOM 437 N THR B 9 0.058 -2.941 -10.302 1.00 0.00 N ATOM 438 CA THR B 9 1.172 -3.754 -10.767 1.00 0.00 C ATOM 439 C THR B 9 2.483 -3.199 -10.218 1.00 0.00 C ATOM 440 O THR B 9 3.340 -3.951 -9.753 1.00 0.00 O ATOM 441 CB THR B 9 1.212 -3.754 -12.296 1.00 0.00 C ATOM 442 OG1 THR B 9 0.015 -4.334 -12.796 1.00 0.00 O ATOM 443 CG2 THR B 9 2.416 -4.560 -12.780 1.00 0.00 C ATOM 0 H THR B 9 -0.488 -2.499 -11.041 1.00 0.00 H new ATOM 0 HA THR B 9 1.039 -4.776 -10.412 1.00 0.00 H new ATOM 0 HB THR B 9 1.300 -2.730 -12.658 1.00 0.00 H new ATOM 0 HG1 THR B 9 0.036 -4.334 -13.776 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.441 -4.558 -13.870 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.332 -4.112 -12.395 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.335 -5.586 -12.421 1.00 0.00 H new ATOM 451 N ARG B 10 2.624 -1.881 -10.253 1.00 0.00 N ATOM 452 CA ARG B 10 3.828 -1.242 -9.735 1.00 0.00 C ATOM 453 C ARG B 10 3.958 -1.506 -8.237 1.00 0.00 C ATOM 454 O ARG B 10 5.047 -1.787 -7.735 1.00 0.00 O ATOM 455 CB ARG B 10 3.777 0.265 -9.996 1.00 0.00 C ATOM 456 CG ARG B 10 5.077 0.909 -9.517 1.00 0.00 C ATOM 457 CD ARG B 10 5.090 2.392 -9.896 1.00 0.00 C ATOM 458 NE ARG B 10 4.048 3.117 -9.173 1.00 0.00 N ATOM 459 CZ ARG B 10 3.818 4.404 -9.416 1.00 0.00 C ATOM 460 NH1 ARG B 10 2.891 5.039 -8.755 1.00 0.00 N ATOM 461 NH2 ARG B 10 4.526 5.037 -10.311 1.00 0.00 N ATOM 0 H ARG B 10 1.928 -1.238 -10.630 1.00 0.00 H new ATOM 0 HA ARG B 10 4.695 -1.661 -10.245 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.634 0.456 -11.060 1.00 0.00 H new ATOM 0 HB3 ARG B 10 2.927 0.706 -9.476 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.172 0.799 -8.437 1.00 0.00 H new ATOM 0 HG3 ARG B 10 5.932 0.402 -9.965 1.00 0.00 H new ATOM 0 HD2 ARG B 10 6.065 2.823 -9.668 1.00 0.00 H new ATOM 0 HD3 ARG B 10 4.937 2.500 -10.970 1.00 0.00 H new ATOM 0 HE ARG B 10 3.489 2.630 -8.472 1.00 0.00 H new ATOM 0 HH11 ARG B 10 2.341 4.549 -8.050 1.00 0.00 H new ATOM 0 HH12 ARG B 10 2.716 6.026 -8.943 1.00 0.00 H new ATOM 0 HH21 ARG B 10 5.257 4.545 -10.825 1.00 0.00 H new ATOM 0 HH22 ARG B 10 4.349 6.024 -10.497 1.00 0.00 H new ATOM 475 N CYS B 11 2.838 -1.414 -7.529 1.00 0.00 N ATOM 476 CA CYS B 11 2.829 -1.647 -6.090 1.00 0.00 C ATOM 477 C CYS B 11 3.331 -3.050 -5.772 1.00 0.00 C ATOM 478 O CYS B 11 4.077 -3.254 -4.814 1.00 0.00 O ATOM 479 CB CYS B 11 1.414 -1.474 -5.545 1.00 0.00 C ATOM 480 SG CYS B 11 1.477 -1.376 -3.735 1.00 0.00 S ATOM 0 H CYS B 11 1.928 -1.181 -7.926 1.00 0.00 H new ATOM 0 HA CYS B 11 3.492 -0.922 -5.618 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.962 -0.570 -5.954 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.788 -2.311 -5.854 1.00 0.00 H new ATOM 0 HG CYS B 11 0.274 -1.227 -3.266 1.00 0.00 H new ATOM 485 N LYS B 12 2.921 -4.013 -6.587 1.00 0.00 N ATOM 486 CA LYS B 12 3.337 -5.396 -6.394 1.00 0.00 C ATOM 487 C LYS B 12 4.852 -5.510 -6.511 1.00 0.00 C ATOM 488 O LYS B 12 5.494 -6.214 -5.732 1.00 0.00 O ATOM 489 CB LYS B 12 2.665 -6.294 -7.434 1.00 0.00 C ATOM 490 CG LYS B 12 3.064 -7.752 -7.191 1.00 0.00 C ATOM 491 CD LYS B 12 2.346 -8.654 -8.198 1.00 0.00 C ATOM 492 CE LYS B 12 2.786 -10.104 -7.985 1.00 0.00 C ATOM 493 NZ LYS B 12 2.387 -10.551 -6.620 1.00 0.00 N ATOM 0 H LYS B 12 2.303 -3.863 -7.385 1.00 0.00 H new ATOM 0 HA LYS B 12 3.035 -5.718 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.582 -6.188 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.960 -5.988 -8.438 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.143 -7.866 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.805 -8.046 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.266 -8.568 -8.075 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.577 -8.338 -9.215 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.330 -10.747 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.866 -10.189 -8.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.402 -11.590 -6.577 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.053 -10.166 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 1.428 -10.209 -6.409 1.00 0.00 H new ATOM 507 N LYS B 13 5.416 -4.816 -7.491 1.00 0.00 N ATOM 508 CA LYS B 13 6.856 -4.850 -7.704 1.00 0.00 C ATOM 509 C LYS B 13 7.580 -4.328 -6.468 1.00 0.00 C ATOM 510 O LYS B 13 8.599 -4.881 -6.055 1.00 0.00 O ATOM 511 CB LYS B 13 7.230 -3.994 -8.918 1.00 0.00 C ATOM 512 CG LYS B 13 8.731 -4.121 -9.195 1.00 0.00 C ATOM 513 CD LYS B 13 9.098 -3.288 -10.426 1.00 0.00 C ATOM 514 CE LYS B 13 10.600 -3.406 -10.699 1.00 0.00 C ATOM 515 NZ LYS B 13 10.933 -4.813 -11.061 1.00 0.00 N ATOM 0 H LYS B 13 4.902 -4.227 -8.146 1.00 0.00 H new ATOM 0 HA LYS B 13 7.157 -5.881 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.661 -4.314 -9.791 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.971 -2.951 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.301 -3.781 -8.330 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.994 -5.166 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.533 -3.633 -11.292 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.829 -2.244 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS B 13 10.887 -2.734 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS B 13 11.165 -3.103 -9.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 11.859 -4.840 -11.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.967 -5.394 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 10.206 -5.188 -11.703 1.00 0.00 H new ATOM 529 N LEU B 14 7.052 -3.258 -5.886 1.00 0.00 N ATOM 530 CA LEU B 14 7.664 -2.673 -4.699 1.00 0.00 C ATOM 531 C LEU B 14 7.657 -3.666 -3.542 1.00 0.00 C ATOM 532 O LEU B 14 8.645 -3.791 -2.818 1.00 0.00 O ATOM 533 CB LEU B 14 6.889 -1.412 -4.292 1.00 0.00 C ATOM 534 CG LEU B 14 7.129 -0.286 -5.314 1.00 0.00 C ATOM 535 CD1 LEU B 14 6.150 0.866 -5.054 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.569 0.245 -5.195 1.00 0.00 C ATOM 0 H LEU B 14 6.211 -2.782 -6.212 1.00 0.00 H new ATOM 0 HA LEU B 14 8.697 -2.416 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.824 -1.635 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.205 -1.087 -3.301 1.00 0.00 H new ATOM 0 HG LEU B 14 6.974 -0.687 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.323 1.661 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.127 0.503 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.304 1.254 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.725 1.041 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.731 0.636 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.273 -0.565 -5.387 1.00 0.00 H new ATOM 548 N LEU B 15 6.546 -4.367 -3.368 1.00 0.00 N ATOM 549 CA LEU B 15 6.440 -5.340 -2.290 1.00 0.00 C ATOM 550 C LEU B 15 7.422 -6.494 -2.509 1.00 0.00 C ATOM 551 O LEU B 15 8.086 -6.947 -1.579 1.00 0.00 O ATOM 552 CB LEU B 15 5.009 -5.876 -2.240 1.00 0.00 C ATOM 553 CG LEU B 15 4.049 -4.756 -1.807 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.605 -5.239 -1.977 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.296 -4.359 -0.338 1.00 0.00 C ATOM 0 H LEU B 15 5.714 -4.282 -3.952 1.00 0.00 H new ATOM 0 HA LEU B 15 6.686 -4.856 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.719 -6.258 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.948 -6.711 -1.542 1.00 0.00 H new ATOM 0 HG LEU B 15 4.225 -3.880 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.919 -4.449 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.426 -5.491 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.441 -6.121 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.605 -3.565 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.137 -5.225 0.305 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.321 -4.006 -0.224 1.00 0.00 H new ATOM 567 N ASP B 16 7.519 -6.948 -3.755 1.00 0.00 N ATOM 568 CA ASP B 16 8.431 -8.036 -4.103 1.00 0.00 C ATOM 569 C ASP B 16 9.881 -7.616 -3.889 1.00 0.00 C ATOM 570 O ASP B 16 10.716 -8.407 -3.452 1.00 0.00 O ATOM 571 CB ASP B 16 8.213 -8.458 -5.556 1.00 0.00 C ATOM 572 CG ASP B 16 6.884 -9.198 -5.687 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.431 -9.365 -6.807 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.340 -9.586 -4.665 1.00 0.00 O ATOM 0 H ASP B 16 6.980 -6.582 -4.539 1.00 0.00 H new ATOM 0 HA ASP B 16 8.221 -8.884 -3.451 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.216 -7.581 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.031 -9.100 -5.884 1.00 0.00 H new ATOM 579 N ASP B 17 10.170 -6.362 -4.213 1.00 0.00 N ATOM 580 CA ASP B 17 11.517 -5.824 -4.070 1.00 0.00 C ATOM 581 C ASP B 17 11.920 -5.780 -2.602 1.00 0.00 C ATOM 582 O ASP B 17 13.075 -5.514 -2.276 1.00 0.00 O ATOM 583 CB ASP B 17 11.593 -4.419 -4.673 1.00 0.00 C ATOM 584 CG ASP B 17 11.513 -4.498 -6.193 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.680 -5.586 -6.721 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.283 -3.470 -6.811 1.00 0.00 O ATOM 0 H ASP B 17 9.488 -5.697 -4.577 1.00 0.00 H new ATOM 0 HA ASP B 17 12.207 -6.477 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.778 -3.805 -4.289 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.523 -3.936 -4.374 1.00 0.00 H new ATOM 591 N SER B 18 10.960 -6.025 -1.719 1.00 0.00 N ATOM 592 CA SER B 18 11.232 -5.991 -0.291 1.00 0.00 C ATOM 593 C SER B 18 12.314 -6.998 0.073 1.00 0.00 C ATOM 594 O SER B 18 13.001 -6.849 1.084 1.00 0.00 O ATOM 595 CB SER B 18 9.956 -6.317 0.486 1.00 0.00 C ATOM 596 OG SER B 18 9.549 -7.646 0.181 1.00 0.00 O ATOM 0 H SER B 18 9.995 -6.247 -1.965 1.00 0.00 H new ATOM 0 HA SER B 18 11.578 -4.991 -0.030 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.132 -6.214 1.557 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.166 -5.613 0.224 1.00 0.00 H new ATOM 0 HG SER B 18 8.905 -7.630 -0.557 1.00 0.00 H new ATOM 602 N SER B 19 12.466 -8.014 -0.759 1.00 0.00 N ATOM 603 CA SER B 19 13.481 -9.041 -0.524 1.00 0.00 C ATOM 604 C SER B 19 14.843 -8.584 -1.031 1.00 0.00 C ATOM 605 O SER B 19 15.871 -9.183 -0.715 1.00 0.00 O ATOM 606 CB SER B 19 13.085 -10.344 -1.219 1.00 0.00 C ATOM 607 OG SER B 19 13.150 -10.164 -2.629 1.00 0.00 O ATOM 0 H SER B 19 11.906 -8.155 -1.600 1.00 0.00 H new ATOM 0 HA SER B 19 13.548 -9.211 0.551 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.752 -11.150 -0.913 1.00 0.00 H new ATOM 0 HB3 SER B 19 12.077 -10.635 -0.924 1.00 0.00 H new ATOM 0 HG SER B 19 12.403 -9.601 -2.922 1.00 0.00 H new ATOM 613 N SER B 20 14.835 -7.519 -1.815 1.00 0.00 N ATOM 614 CA SER B 20 16.069 -6.970 -2.370 1.00 0.00 C ATOM 615 C SER B 20 16.787 -6.101 -1.341 1.00 0.00 C ATOM 616 O SER B 20 16.150 -5.405 -0.549 1.00 0.00 O ATOM 617 CB SER B 20 15.766 -6.143 -3.622 1.00 0.00 C ATOM 618 OG SER B 20 16.987 -5.695 -4.194 1.00 0.00 O ATOM 0 H SER B 20 13.990 -7.015 -2.084 1.00 0.00 H new ATOM 0 HA SER B 20 16.719 -7.803 -2.638 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.212 -6.743 -4.343 1.00 0.00 H new ATOM 0 HB3 SER B 20 15.137 -5.291 -3.366 1.00 0.00 H new ATOM 0 HG SER B 20 16.797 -5.166 -4.997 1.00 0.00 H new ATOM 625 N LYS C 1 18.113 -6.138 -1.367 1.00 0.00 N ATOM 626 CA LYS C 1 18.913 -5.342 -0.443 1.00 0.00 C ATOM 627 C LYS C 1 18.949 -3.886 -0.888 1.00 0.00 C ATOM 628 O LYS C 1 19.731 -3.086 -0.375 1.00 0.00 O ATOM 629 CB LYS C 1 20.338 -5.891 -0.369 1.00 0.00 C ATOM 630 CG LYS C 1 20.319 -7.265 0.302 1.00 0.00 C ATOM 631 CD LYS C 1 21.743 -7.824 0.360 1.00 0.00 C ATOM 632 CE LYS C 1 21.724 -9.196 1.034 1.00 0.00 C ATOM 633 NZ LYS C 1 23.109 -9.746 1.075 1.00 0.00 N ATOM 0 H3 LYS C 1 17.814 -7.017 -0.899 1.00 0.00 H new ATOM 0 HA LYS C 1 18.455 -5.400 0.544 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.762 -5.969 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.974 -5.208 0.194 1.00 0.00 H new ATOM 0 HG2 LYS C 1 19.907 -7.185 1.308 1.00 0.00 H new ATOM 0 HG3 LYS C 1 19.673 -7.944 -0.254 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.154 -7.907 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.390 -7.144 0.914 1.00 0.00 H new ATOM 0 HE2 LYS C 1 21.324 -9.112 2.045 1.00 0.00 H new ATOM 0 HE3 LYS C 1 21.068 -9.873 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 23.098 -10.680 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 23.474 -9.840 0.106 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 23.722 -9.102 1.615 1.00 0.00 H new ATOM 647 N ASN C 2 18.106 -3.558 -1.854 1.00 0.00 N ATOM 648 CA ASN C 2 18.049 -2.200 -2.381 1.00 0.00 C ATOM 649 C ASN C 2 17.642 -1.203 -1.290 1.00 0.00 C ATOM 650 O ASN C 2 16.930 -1.558 -0.353 1.00 0.00 O ATOM 651 CB ASN C 2 17.047 -2.147 -3.542 1.00 0.00 C ATOM 652 CG ASN C 2 15.690 -2.675 -3.099 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.590 -3.359 -2.081 1.00 0.00 O ATOM 654 ND2 ASN C 2 14.633 -2.393 -3.808 1.00 0.00 N ATOM 0 H ASN C 2 17.453 -4.210 -2.289 1.00 0.00 H new ATOM 0 HA ASN C 2 19.041 -1.922 -2.738 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.947 -1.121 -3.897 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.419 -2.739 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN C 2 13.718 -2.740 -3.520 1.00 0.00 H new ATOM 0 HD22 ASN C 2 14.721 -1.826 -4.651 1.00 0.00 H new ATOM 661 N PRO C 3 18.073 0.037 -1.395 1.00 0.00 N ATOM 662 CA PRO C 3 17.729 1.095 -0.393 1.00 0.00 C ATOM 663 C PRO C 3 16.225 1.372 -0.351 1.00 0.00 C ATOM 664 O PRO C 3 15.712 1.934 0.614 1.00 0.00 O ATOM 665 CB PRO C 3 18.521 2.327 -0.870 1.00 0.00 C ATOM 666 CG PRO C 3 18.777 2.084 -2.322 1.00 0.00 C ATOM 667 CD PRO C 3 18.942 0.577 -2.462 1.00 0.00 C ATOM 0 HA PRO C 3 17.985 0.802 0.625 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.953 3.245 -0.718 1.00 0.00 H new ATOM 0 HB3 PRO C 3 19.454 2.434 -0.317 1.00 0.00 H new ATOM 0 HG2 PRO C 3 17.949 2.446 -2.932 1.00 0.00 H new ATOM 0 HG3 PRO C 3 19.672 2.609 -2.655 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.632 0.229 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.980 0.272 -2.328 1.00 0.00 H new ATOM 675 N GLU C 4 15.526 0.973 -1.404 1.00 0.00 N ATOM 676 CA GLU C 4 14.083 1.180 -1.475 1.00 0.00 C ATOM 677 C GLU C 4 13.371 0.370 -0.395 1.00 0.00 C ATOM 678 O GLU C 4 12.193 0.590 -0.119 1.00 0.00 O ATOM 679 CB GLU C 4 13.560 0.776 -2.851 1.00 0.00 C ATOM 680 CG GLU C 4 14.107 1.740 -3.903 1.00 0.00 C ATOM 681 CD GLU C 4 13.640 1.316 -5.291 1.00 0.00 C ATOM 682 OE1 GLU C 4 13.960 2.011 -6.240 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.970 0.301 -5.382 1.00 0.00 O ATOM 0 H GLU C 4 15.929 0.507 -2.217 1.00 0.00 H new ATOM 0 HA GLU C 4 13.880 2.238 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.865 -0.245 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.470 0.793 -2.858 1.00 0.00 H new ATOM 0 HG2 GLU C 4 13.768 2.754 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU C 4 15.196 1.753 -3.865 1.00 0.00 H new ATOM 690 N ALA C 5 14.094 -0.570 0.206 1.00 0.00 N ATOM 691 CA ALA C 5 13.529 -1.421 1.250 1.00 0.00 C ATOM 692 C ALA C 5 13.016 -0.574 2.413 1.00 0.00 C ATOM 693 O ALA C 5 12.092 -0.972 3.121 1.00 0.00 O ATOM 694 CB ALA C 5 14.590 -2.399 1.758 1.00 0.00 C ATOM 0 H ALA C 5 15.072 -0.762 -0.011 1.00 0.00 H new ATOM 0 HA ALA C 5 12.694 -1.979 0.826 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.160 -3.030 2.536 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.934 -3.023 0.933 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.433 -1.842 2.167 1.00 0.00 H new ATOM 700 N GLU C 6 13.617 0.594 2.603 1.00 0.00 N ATOM 701 CA GLU C 6 13.204 1.485 3.678 1.00 0.00 C ATOM 702 C GLU C 6 11.746 1.900 3.488 1.00 0.00 C ATOM 703 O GLU C 6 10.993 2.018 4.456 1.00 0.00 O ATOM 704 CB GLU C 6 14.098 2.729 3.686 1.00 0.00 C ATOM 705 CG GLU C 6 15.495 2.366 4.201 1.00 0.00 C ATOM 706 CD GLU C 6 16.271 1.598 3.137 1.00 0.00 C ATOM 707 OE1 GLU C 6 17.130 2.194 2.510 1.00 0.00 O ATOM 708 OE2 GLU C 6 15.999 0.419 2.970 1.00 0.00 O ATOM 0 H GLU C 6 14.386 0.944 2.031 1.00 0.00 H new ATOM 0 HA GLU C 6 13.301 0.962 4.629 1.00 0.00 H new ATOM 0 HB2 GLU C 6 14.168 3.143 2.680 1.00 0.00 H new ATOM 0 HB3 GLU C 6 13.657 3.500 4.318 1.00 0.00 H new ATOM 0 HG2 GLU C 6 16.037 3.272 4.472 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.411 1.763 5.105 1.00 0.00 H new ATOM 715 N GLU C 7 11.350 2.114 2.239 1.00 0.00 N ATOM 716 CA GLU C 7 9.975 2.505 1.944 1.00 0.00 C ATOM 717 C GLU C 7 9.006 1.405 2.369 1.00 0.00 C ATOM 718 O GLU C 7 7.926 1.682 2.887 1.00 0.00 O ATOM 719 CB GLU C 7 9.812 2.797 0.446 1.00 0.00 C ATOM 720 CG GLU C 7 8.364 3.209 0.151 1.00 0.00 C ATOM 721 CD GLU C 7 8.011 4.473 0.926 1.00 0.00 C ATOM 722 OE1 GLU C 7 6.839 4.663 1.209 1.00 0.00 O ATOM 723 OE2 GLU C 7 8.918 5.235 1.222 1.00 0.00 O ATOM 0 H GLU C 7 11.953 2.025 1.421 1.00 0.00 H new ATOM 0 HA GLU C 7 9.747 3.411 2.506 1.00 0.00 H new ATOM 0 HB2 GLU C 7 10.494 3.592 0.145 1.00 0.00 H new ATOM 0 HB3 GLU C 7 10.074 1.914 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU C 7 8.237 3.381 -0.918 1.00 0.00 H new ATOM 0 HG3 GLU C 7 7.685 2.402 0.427 1.00 0.00 H new ATOM 730 N ILE C 8 9.401 0.157 2.147 1.00 0.00 N ATOM 731 CA ILE C 8 8.560 -0.981 2.510 1.00 0.00 C ATOM 732 C ILE C 8 8.328 -0.985 4.019 1.00 0.00 C ATOM 733 O ILE C 8 7.216 -1.231 4.484 1.00 0.00 O ATOM 734 CB ILE C 8 9.237 -2.291 2.065 1.00 0.00 C ATOM 735 CG1 ILE C 8 9.025 -2.495 0.558 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.635 -3.487 2.821 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.441 -1.238 -0.208 1.00 0.00 C ATOM 0 H ILE C 8 10.293 -0.094 1.720 1.00 0.00 H new ATOM 0 HA ILE C 8 7.597 -0.898 2.007 1.00 0.00 H new ATOM 0 HB ILE C 8 10.302 -2.225 2.286 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.608 -3.349 0.214 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.978 -2.722 0.358 1.00 0.00 H new ATOM 0 HG21 ILE C 8 9.123 -4.406 2.496 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.787 -3.354 3.892 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.567 -3.550 2.611 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.286 -1.395 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.839 -0.393 0.126 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.494 -1.030 -0.021 1.00 0.00 H new ATOM 749 N THR C 9 9.379 -0.712 4.779 1.00 0.00 N ATOM 750 CA THR C 9 9.260 -0.692 6.229 1.00 0.00 C ATOM 751 C THR C 9 8.246 0.368 6.652 1.00 0.00 C ATOM 752 O THR C 9 7.406 0.126 7.518 1.00 0.00 O ATOM 753 CB THR C 9 10.621 -0.382 6.856 1.00 0.00 C ATOM 754 OG1 THR C 9 11.539 -1.409 6.513 1.00 0.00 O ATOM 755 CG2 THR C 9 10.482 -0.302 8.376 1.00 0.00 C ATOM 0 H THR C 9 10.311 -0.504 4.422 1.00 0.00 H new ATOM 0 HA THR C 9 8.920 -1.669 6.572 1.00 0.00 H new ATOM 0 HB THR C 9 10.986 0.574 6.481 1.00 0.00 H new ATOM 0 HG1 THR C 9 12.413 -1.213 6.911 1.00 0.00 H new ATOM 0 HG21 THR C 9 11.453 -0.081 8.819 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.777 0.487 8.636 1.00 0.00 H new ATOM 0 HG23 THR C 9 10.117 -1.255 8.759 1.00 0.00 H new ATOM 763 N ARG C 10 8.316 1.533 6.022 1.00 0.00 N ATOM 764 CA ARG C 10 7.383 2.609 6.330 1.00 0.00 C ATOM 765 C ARG C 10 5.958 2.182 5.989 1.00 0.00 C ATOM 766 O ARG C 10 5.020 2.446 6.742 1.00 0.00 O ATOM 767 CB ARG C 10 7.754 3.868 5.542 1.00 0.00 C ATOM 768 CG ARG C 10 6.811 5.008 5.930 1.00 0.00 C ATOM 769 CD ARG C 10 7.261 6.303 5.252 1.00 0.00 C ATOM 770 NE ARG C 10 7.119 6.203 3.802 1.00 0.00 N ATOM 771 CZ ARG C 10 7.535 7.183 3.005 1.00 0.00 C ATOM 772 NH1 ARG C 10 7.395 7.080 1.713 1.00 0.00 N ATOM 773 NH2 ARG C 10 8.081 8.252 3.517 1.00 0.00 N ATOM 0 H ARG C 10 9.002 1.756 5.301 1.00 0.00 H new ATOM 0 HA ARG C 10 7.440 2.829 7.396 1.00 0.00 H new ATOM 0 HB2 ARG C 10 8.786 4.149 5.750 1.00 0.00 H new ATOM 0 HB3 ARG C 10 7.686 3.673 4.472 1.00 0.00 H new ATOM 0 HG2 ARG C 10 5.791 4.766 5.632 1.00 0.00 H new ATOM 0 HG3 ARG C 10 6.806 5.136 7.012 1.00 0.00 H new ATOM 0 HD2 ARG C 10 6.668 7.139 5.624 1.00 0.00 H new ATOM 0 HD3 ARG C 10 8.300 6.511 5.507 1.00 0.00 H new ATOM 0 HE ARG C 10 6.695 5.370 3.395 1.00 0.00 H new ATOM 0 HH11 ARG C 10 6.966 6.246 1.311 1.00 0.00 H new ATOM 0 HH12 ARG C 10 7.715 7.833 1.104 1.00 0.00 H new ATOM 0 HH21 ARG C 10 8.188 8.336 4.528 1.00 0.00 H new ATOM 0 HH22 ARG C 10 8.400 9.004 2.906 1.00 0.00 H new ATOM 787 N CYS C 11 5.806 1.520 4.848 1.00 0.00 N ATOM 788 CA CYS C 11 4.496 1.053 4.411 1.00 0.00 C ATOM 789 C CYS C 11 3.890 0.113 5.446 1.00 0.00 C ATOM 790 O CYS C 11 2.694 0.167 5.730 1.00 0.00 O ATOM 791 CB CYS C 11 4.621 0.329 3.074 1.00 0.00 C ATOM 792 SG CYS C 11 2.970 0.096 2.361 1.00 0.00 S ATOM 0 H CYS C 11 6.570 1.295 4.211 1.00 0.00 H new ATOM 0 HA CYS C 11 3.842 1.918 4.296 1.00 0.00 H new ATOM 0 HB2 CYS C 11 5.246 0.906 2.392 1.00 0.00 H new ATOM 0 HB3 CYS C 11 5.109 -0.636 3.214 1.00 0.00 H new ATOM 0 HG CYS C 11 3.073 -0.519 1.220 1.00 0.00 H new ATOM 797 N LYS C 12 4.730 -0.745 6.013 1.00 0.00 N ATOM 798 CA LYS C 12 4.275 -1.691 7.023 1.00 0.00 C ATOM 799 C LYS C 12 3.720 -0.944 8.228 1.00 0.00 C ATOM 800 O LYS C 12 2.692 -1.323 8.788 1.00 0.00 O ATOM 801 CB LYS C 12 5.435 -2.593 7.454 1.00 0.00 C ATOM 802 CG LYS C 12 4.937 -3.620 8.474 1.00 0.00 C ATOM 803 CD LYS C 12 6.086 -4.552 8.865 1.00 0.00 C ATOM 804 CE LYS C 12 5.598 -5.546 9.920 1.00 0.00 C ATOM 805 NZ LYS C 12 4.506 -6.384 9.350 1.00 0.00 N ATOM 0 H LYS C 12 5.724 -0.805 5.792 1.00 0.00 H new ATOM 0 HA LYS C 12 3.484 -2.309 6.597 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.855 -3.102 6.586 1.00 0.00 H new ATOM 0 HB3 LYS C 12 6.234 -1.992 7.889 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.550 -3.112 9.358 1.00 0.00 H new ATOM 0 HG3 LYS C 12 4.114 -4.197 8.052 1.00 0.00 H new ATOM 0 HD2 LYS C 12 6.450 -5.086 7.987 1.00 0.00 H new ATOM 0 HD3 LYS C 12 6.922 -3.972 9.255 1.00 0.00 H new ATOM 0 HE2 LYS C 12 6.423 -6.179 10.247 1.00 0.00 H new ATOM 0 HE3 LYS C 12 5.239 -5.011 10.799 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 4.384 -7.238 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 3.619 -5.841 9.342 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 4.751 -6.660 8.378 1.00 0.00 H new ATOM 819 N LYS C 13 4.412 0.116 8.625 1.00 0.00 N ATOM 820 CA LYS C 13 3.983 0.907 9.771 1.00 0.00 C ATOM 821 C LYS C 13 2.598 1.493 9.513 1.00 0.00 C ATOM 822 O LYS C 13 1.749 1.512 10.403 1.00 0.00 O ATOM 823 CB LYS C 13 4.978 2.043 10.030 1.00 0.00 C ATOM 824 CG LYS C 13 4.575 2.798 11.299 1.00 0.00 C ATOM 825 CD LYS C 13 5.585 3.915 11.573 1.00 0.00 C ATOM 826 CE LYS C 13 5.178 4.679 12.837 1.00 0.00 C ATOM 827 NZ LYS C 13 5.255 3.770 14.016 1.00 0.00 N ATOM 0 H LYS C 13 5.266 0.446 8.175 1.00 0.00 H new ATOM 0 HA LYS C 13 3.943 0.259 10.646 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.985 1.640 10.138 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.997 2.725 9.180 1.00 0.00 H new ATOM 0 HG2 LYS C 13 3.576 3.218 11.183 1.00 0.00 H new ATOM 0 HG3 LYS C 13 4.537 2.113 12.146 1.00 0.00 H new ATOM 0 HD2 LYS C 13 6.583 3.494 11.696 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.629 4.596 10.723 1.00 0.00 H new ATOM 0 HE2 LYS C 13 5.834 5.537 12.983 1.00 0.00 H new ATOM 0 HE3 LYS C 13 4.165 5.067 12.730 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 5.299 4.335 14.888 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 4.413 3.161 14.040 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 6.108 3.179 13.944 1.00 0.00 H new ATOM 841 N LEU C 14 2.380 1.972 8.295 1.00 0.00 N ATOM 842 CA LEU C 14 1.093 2.559 7.941 1.00 0.00 C ATOM 843 C LEU C 14 -0.022 1.525 8.048 1.00 0.00 C ATOM 844 O LEU C 14 -1.106 1.821 8.553 1.00 0.00 O ATOM 845 CB LEU C 14 1.151 3.096 6.503 1.00 0.00 C ATOM 846 CG LEU C 14 2.054 4.342 6.434 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.318 4.709 4.969 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.371 5.534 7.130 1.00 0.00 C ATOM 0 H LEU C 14 3.069 1.967 7.543 1.00 0.00 H new ATOM 0 HA LEU C 14 0.883 3.373 8.635 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.533 2.324 5.834 1.00 0.00 H new ATOM 0 HB3 LEU C 14 0.147 3.347 6.160 1.00 0.00 H new ATOM 0 HG LEU C 14 2.995 4.118 6.937 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.957 5.591 4.924 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.813 3.876 4.469 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.372 4.921 4.471 1.00 0.00 H new ATOM 0 HD21 LEU C 14 2.020 6.408 7.074 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.425 5.752 6.634 1.00 0.00 H new ATOM 0 HD23 LEU C 14 1.184 5.287 8.175 1.00 0.00 H new ATOM 860 N LEU C 15 0.243 0.316 7.574 1.00 0.00 N ATOM 861 CA LEU C 15 -0.755 -0.741 7.631 1.00 0.00 C ATOM 862 C LEU C 15 -1.059 -1.115 9.083 1.00 0.00 C ATOM 863 O LEU C 15 -2.214 -1.305 9.460 1.00 0.00 O ATOM 864 CB LEU C 15 -0.228 -1.963 6.879 1.00 0.00 C ATOM 865 CG LEU C 15 -0.121 -1.644 5.379 1.00 0.00 C ATOM 866 CD1 LEU C 15 0.619 -2.785 4.674 1.00 0.00 C ATOM 867 CD2 LEU C 15 -1.519 -1.466 4.753 1.00 0.00 C ATOM 0 H LEU C 15 1.130 0.045 7.150 1.00 0.00 H new ATOM 0 HA LEU C 15 -1.677 -0.389 7.168 1.00 0.00 H new ATOM 0 HB2 LEU C 15 0.748 -2.249 7.270 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -0.894 -2.812 7.033 1.00 0.00 H new ATOM 0 HG LEU C 15 0.429 -0.711 5.257 1.00 0.00 H new ATOM 0 HD11 LEU C 15 0.698 -2.564 3.609 1.00 0.00 H new ATOM 0 HD12 LEU C 15 1.618 -2.888 5.098 1.00 0.00 H new ATOM 0 HD13 LEU C 15 0.069 -3.716 4.812 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -1.416 -1.241 3.691 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.092 -2.385 4.875 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.038 -0.646 5.249 1.00 0.00 H new ATOM 879 N ASP C 16 -0.010 -1.200 9.895 1.00 0.00 N ATOM 880 CA ASP C 16 -0.164 -1.535 11.309 1.00 0.00 C ATOM 881 C ASP C 16 -0.945 -0.449 12.041 1.00 0.00 C ATOM 882 O ASP C 16 -1.754 -0.731 12.924 1.00 0.00 O ATOM 883 CB ASP C 16 1.208 -1.724 11.958 1.00 0.00 C ATOM 884 CG ASP C 16 1.839 -3.024 11.464 1.00 0.00 C ATOM 885 OD1 ASP C 16 3.025 -3.202 11.676 1.00 0.00 O ATOM 886 OD2 ASP C 16 1.124 -3.823 10.879 1.00 0.00 O ATOM 0 H ASP C 16 0.954 -1.042 9.601 1.00 0.00 H new ATOM 0 HA ASP C 16 -0.723 -2.468 11.381 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.854 -0.880 11.716 1.00 0.00 H new ATOM 0 HB3 ASP C 16 1.107 -1.747 13.043 1.00 0.00 H new ATOM 891 N ASP C 17 -0.688 0.798 11.665 1.00 0.00 N ATOM 892 CA ASP C 17 -1.353 1.939 12.279 1.00 0.00 C ATOM 893 C ASP C 17 -2.845 1.912 11.972 1.00 0.00 C ATOM 894 O ASP C 17 -3.616 2.690 12.529 1.00 0.00 O ATOM 895 CB ASP C 17 -0.742 3.247 11.773 1.00 0.00 C ATOM 896 CG ASP C 17 0.656 3.427 12.354 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.978 2.730 13.302 1.00 0.00 O ATOM 898 OD2 ASP C 17 1.388 4.258 11.840 1.00 0.00 O ATOM 0 H ASP C 17 -0.020 1.045 10.934 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.213 1.878 13.358 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -0.694 3.239 10.684 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -1.374 4.088 12.058 1.00 0.00 H new ATOM 903 N SER C 18 -3.245 1.025 11.070 1.00 0.00 N ATOM 904 CA SER C 18 -4.645 0.928 10.689 1.00 0.00 C ATOM 905 C SER C 18 -5.510 0.617 11.901 1.00 0.00 C ATOM 906 O SER C 18 -6.705 0.914 11.916 1.00 0.00 O ATOM 907 CB SER C 18 -4.823 -0.182 9.652 1.00 0.00 C ATOM 908 OG SER C 18 -4.474 -1.430 10.238 1.00 0.00 O ATOM 0 H SER C 18 -2.626 0.369 10.594 1.00 0.00 H new ATOM 0 HA SER C 18 -4.953 1.885 10.267 1.00 0.00 H new ATOM 0 HB2 SER C 18 -5.855 -0.207 9.302 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.196 0.013 8.782 1.00 0.00 H new ATOM 0 HG SER C 18 -3.617 -1.735 9.873 1.00 0.00 H new ATOM 914 N SER C 19 -4.900 0.028 12.913 1.00 0.00 N ATOM 915 CA SER C 19 -5.623 -0.313 14.137 1.00 0.00 C ATOM 916 C SER C 19 -5.719 0.892 15.065 1.00 0.00 C ATOM 917 O SER C 19 -6.495 0.897 16.019 1.00 0.00 O ATOM 918 CB SER C 19 -4.920 -1.461 14.862 1.00 0.00 C ATOM 919 OG SER C 19 -3.672 -1.007 15.366 1.00 0.00 O ATOM 0 H SER C 19 -3.912 -0.225 12.918 1.00 0.00 H new ATOM 0 HA SER C 19 -6.631 -0.622 13.859 1.00 0.00 H new ATOM 0 HB2 SER C 19 -5.543 -1.826 15.678 1.00 0.00 H new ATOM 0 HB3 SER C 19 -4.767 -2.297 14.180 1.00 0.00 H new ATOM 0 HG SER C 19 -3.032 -0.923 14.628 1.00 0.00 H new ATOM 925 N SER C 20 -4.927 1.909 14.768 1.00 0.00 N ATOM 926 CA SER C 20 -4.918 3.131 15.570 1.00 0.00 C ATOM 927 C SER C 20 -6.079 4.043 15.186 1.00 0.00 C ATOM 928 O SER C 20 -6.473 4.107 14.021 1.00 0.00 O ATOM 929 CB SER C 20 -3.594 3.877 15.387 1.00 0.00 C ATOM 930 OG SER C 20 -3.588 5.031 16.216 1.00 0.00 O ATOM 0 H SER C 20 -4.281 1.917 13.979 1.00 0.00 H new ATOM 0 HA SER C 20 -5.029 2.848 16.617 1.00 0.00 H new ATOM 0 HB2 SER C 20 -2.758 3.226 15.643 1.00 0.00 H new ATOM 0 HB3 SER C 20 -3.466 4.164 14.343 1.00 0.00 H new ATOM 0 HG SER C 20 -2.741 5.511 16.103 1.00 0.00 H new