USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=21 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 Single : A 1 LYS N :NH3+ -162:sc= -0.0242 (180deg=-0.35) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -3.51! C(o=-3.5!,f=-11!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.0539 (180deg=-0.582) USER MOD Single : A 18 SER OG : rot -112:sc= 0.904 USER MOD Single : A 19 SER OG : rot -79:sc= 0.289 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -160:sc= -0.0413 (180deg=-0.425) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -3.08! C(o=-3.1!,f=-9.7!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -159:sc= -0.0989 (180deg=-0.645) USER MOD Single : B 18 SER OG : rot -83:sc= 0.888 USER MOD Single : B 19 SER OG : rot -79:sc= 0.248 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : C 1 LYS N :NH3+ -162:sc= -0.0187 (180deg=-0.351) USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= -3.52! C(o=-3.5!,f=-10!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 LYS NZ :NH3+ -160:sc= -0.0727 (180deg=-0.576) USER MOD Single : C 18 SER OG : rot -117:sc= 0.868 USER MOD Single : C 19 SER OG : rot -80:sc= 0.291 USER MOD Single : C 20 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.655 5.363 15.371 1.00 0.00 N ATOM 2 CA LYS A 1 -8.644 6.334 14.923 1.00 0.00 C ATOM 3 C LYS A 1 -7.956 7.479 14.207 1.00 0.00 C ATOM 4 O LYS A 1 -8.548 8.533 13.981 1.00 0.00 O ATOM 5 CB LYS A 1 -9.440 6.879 16.111 1.00 0.00 C ATOM 6 CG LYS A 1 -10.306 5.763 16.693 1.00 0.00 C ATOM 7 CD LYS A 1 -11.108 6.302 17.879 1.00 0.00 C ATOM 8 CE LYS A 1 -11.977 5.184 18.457 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.754 5.707 19.615 1.00 0.00 N ATOM 0 H3 LYS A 1 -8.125 4.459 15.580 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.330 5.836 14.238 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.761 7.263 16.873 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.066 7.712 15.792 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.981 5.377 15.929 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.678 4.931 17.013 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.433 6.685 18.644 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.734 7.135 17.560 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.655 4.804 17.693 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.352 4.349 18.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.345 4.947 20.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.099 6.050 20.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.362 6.490 19.300 1.00 0.00 H new ATOM 23 N ASN A 2 -6.691 7.277 13.878 1.00 0.00 N ATOM 24 CA ASN A 2 -5.928 8.322 13.218 1.00 0.00 C ATOM 25 C ASN A 2 -6.566 8.718 11.878 1.00 0.00 C ATOM 26 O ASN A 2 -7.200 7.890 11.224 1.00 0.00 O ATOM 27 CB ASN A 2 -4.492 7.857 12.970 1.00 0.00 C ATOM 28 CG ASN A 2 -4.501 6.534 12.209 1.00 0.00 C ATOM 29 OD1 ASN A 2 -5.458 5.768 12.313 1.00 0.00 O ATOM 30 ND2 ASN A 2 -3.493 6.218 11.441 1.00 0.00 N ATOM 0 H ASN A 2 -6.178 6.413 14.054 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.926 9.191 13.876 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.949 8.611 12.400 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.970 7.738 13.919 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.500 5.337 10.928 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.699 6.853 11.354 1.00 0.00 H new ATOM 37 N PRO A 3 -6.407 9.958 11.445 1.00 0.00 N ATOM 38 CA PRO A 3 -6.981 10.440 10.141 1.00 0.00 C ATOM 39 C PRO A 3 -6.501 9.603 8.949 1.00 0.00 C ATOM 40 O PRO A 3 -7.189 9.497 7.935 1.00 0.00 O ATOM 41 CB PRO A 3 -6.468 11.890 10.024 1.00 0.00 C ATOM 42 CG PRO A 3 -6.160 12.306 11.422 1.00 0.00 C ATOM 43 CD PRO A 3 -5.675 11.048 12.136 1.00 0.00 C ATOM 0 HA PRO A 3 -8.068 10.362 10.126 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.582 11.945 9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.220 12.539 9.576 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.396 13.084 11.439 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.044 12.716 11.911 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.595 10.926 12.047 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.906 11.076 13.201 1.00 0.00 H new ATOM 51 N GLU A 4 -5.307 9.035 9.079 1.00 0.00 N ATOM 52 CA GLU A 4 -4.724 8.232 8.007 1.00 0.00 C ATOM 53 C GLU A 4 -5.586 7.008 7.723 1.00 0.00 C ATOM 54 O GLU A 4 -5.411 6.336 6.707 1.00 0.00 O ATOM 55 CB GLU A 4 -3.307 7.789 8.386 1.00 0.00 C ATOM 56 CG GLU A 4 -2.414 9.020 8.558 1.00 0.00 C ATOM 57 CD GLU A 4 -2.171 9.684 7.207 1.00 0.00 C ATOM 58 OE1 GLU A 4 -2.533 9.092 6.204 1.00 0.00 O ATOM 59 OE2 GLU A 4 -1.636 10.780 7.195 1.00 0.00 O ATOM 0 H GLU A 4 -4.725 9.114 9.913 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.679 8.846 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.330 7.212 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.900 7.137 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.885 9.728 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.463 8.730 9.005 1.00 0.00 H new ATOM 66 N ALA A 5 -6.521 6.730 8.624 1.00 0.00 N ATOM 67 CA ALA A 5 -7.405 5.582 8.465 1.00 0.00 C ATOM 68 C ALA A 5 -8.172 5.688 7.151 1.00 0.00 C ATOM 69 O ALA A 5 -8.452 4.680 6.502 1.00 0.00 O ATOM 70 CB ALA A 5 -8.394 5.524 9.633 1.00 0.00 C ATOM 0 H ALA A 5 -6.686 7.280 9.467 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.803 4.673 8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.053 4.664 9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.845 5.429 10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.989 6.437 9.652 1.00 0.00 H new ATOM 76 N GLU A 6 -8.504 6.910 6.755 1.00 0.00 N ATOM 77 CA GLU A 6 -9.230 7.121 5.508 1.00 0.00 C ATOM 78 C GLU A 6 -8.401 6.629 4.320 1.00 0.00 C ATOM 79 O GLU A 6 -8.931 6.039 3.376 1.00 0.00 O ATOM 80 CB GLU A 6 -9.532 8.610 5.332 1.00 0.00 C ATOM 81 CG GLU A 6 -10.565 9.050 6.370 1.00 0.00 C ATOM 82 CD GLU A 6 -10.797 10.554 6.272 1.00 0.00 C ATOM 83 OE1 GLU A 6 -10.120 11.189 5.480 1.00 0.00 O ATOM 84 OE2 GLU A 6 -11.648 11.051 6.992 1.00 0.00 O ATOM 0 H GLU A 6 -8.286 7.762 7.272 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.163 6.559 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.618 9.193 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.909 8.799 4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.503 8.518 6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.219 8.792 7.371 1.00 0.00 H new ATOM 91 N GLU A 7 -7.098 6.876 4.376 1.00 0.00 N ATOM 92 CA GLU A 7 -6.205 6.457 3.304 1.00 0.00 C ATOM 93 C GLU A 7 -6.167 4.935 3.217 1.00 0.00 C ATOM 94 O GLU A 7 -6.068 4.364 2.130 1.00 0.00 O ATOM 95 CB GLU A 7 -4.791 7.000 3.535 1.00 0.00 C ATOM 96 CG GLU A 7 -3.972 6.866 2.245 1.00 0.00 C ATOM 97 CD GLU A 7 -4.516 7.824 1.182 1.00 0.00 C ATOM 98 OE1 GLU A 7 -5.097 7.350 0.213 1.00 0.00 O ATOM 99 OE2 GLU A 7 -4.342 9.021 1.353 1.00 0.00 O ATOM 0 H GLU A 7 -6.639 7.361 5.147 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.584 6.860 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.837 8.045 3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.307 6.452 4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.924 7.088 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.017 5.840 1.880 1.00 0.00 H new ATOM 106 N ILE A 8 -6.232 4.284 4.373 1.00 0.00 N ATOM 107 CA ILE A 8 -6.191 2.822 4.420 1.00 0.00 C ATOM 108 C ILE A 8 -7.398 2.252 3.676 1.00 0.00 C ATOM 109 O ILE A 8 -7.281 1.282 2.930 1.00 0.00 O ATOM 110 CB ILE A 8 -6.211 2.331 5.876 1.00 0.00 C ATOM 111 CG1 ILE A 8 -5.056 3.004 6.648 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.077 0.781 5.932 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.707 2.734 5.975 1.00 0.00 C ATOM 0 H ILE A 8 -6.313 4.737 5.283 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.270 2.482 3.945 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.161 2.600 6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.229 4.079 6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.035 2.632 7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.093 0.452 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.908 0.324 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.136 0.480 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.914 3.221 6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.524 1.660 5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.722 3.129 4.959 1.00 0.00 H new ATOM 125 N THR A 9 -8.559 2.866 3.883 1.00 0.00 N ATOM 126 CA THR A 9 -9.777 2.411 3.222 1.00 0.00 C ATOM 127 C THR A 9 -9.613 2.511 1.707 1.00 0.00 C ATOM 128 O THR A 9 -10.004 1.607 0.967 1.00 0.00 O ATOM 129 CB THR A 9 -10.969 3.262 3.666 1.00 0.00 C ATOM 130 OG1 THR A 9 -11.154 3.116 5.067 1.00 0.00 O ATOM 131 CG2 THR A 9 -12.230 2.803 2.932 1.00 0.00 C ATOM 0 H THR A 9 -8.682 3.672 4.497 1.00 0.00 H new ATOM 0 HA THR A 9 -9.959 1.373 3.499 1.00 0.00 H new ATOM 0 HB THR A 9 -10.777 4.309 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.916 3.661 5.355 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.077 3.410 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.086 2.915 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.426 1.756 3.165 1.00 0.00 H new ATOM 139 N ARG A 10 -9.017 3.610 1.256 1.00 0.00 N ATOM 140 CA ARG A 10 -8.789 3.811 -0.173 1.00 0.00 C ATOM 141 C ARG A 10 -7.865 2.728 -0.721 1.00 0.00 C ATOM 142 O ARG A 10 -8.067 2.226 -1.827 1.00 0.00 O ATOM 143 CB ARG A 10 -8.163 5.187 -0.403 1.00 0.00 C ATOM 144 CG ARG A 10 -9.205 6.278 -0.155 1.00 0.00 C ATOM 145 CD ARG A 10 -8.522 7.646 -0.170 1.00 0.00 C ATOM 146 NE ARG A 10 -7.805 7.840 -1.423 1.00 0.00 N ATOM 147 CZ ARG A 10 -8.427 8.262 -2.519 1.00 0.00 C ATOM 148 NH1 ARG A 10 -7.756 8.430 -3.626 1.00 0.00 N ATOM 149 NH2 ARG A 10 -9.709 8.505 -2.490 1.00 0.00 N ATOM 0 H ARG A 10 -8.686 4.369 1.851 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.745 3.753 -0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.312 5.326 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.784 5.258 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.979 6.238 -0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.697 6.115 0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.266 8.433 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.830 7.724 0.669 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.804 7.648 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.755 8.237 -3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.233 8.754 -4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.234 8.371 -1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.186 8.829 -3.331 1.00 0.00 H new ATOM 163 N CYS A 11 -6.857 2.367 0.063 1.00 0.00 N ATOM 164 CA CYS A 11 -5.914 1.336 -0.347 1.00 0.00 C ATOM 165 C CYS A 11 -6.644 0.030 -0.643 1.00 0.00 C ATOM 166 O CYS A 11 -6.365 -0.635 -1.642 1.00 0.00 O ATOM 167 CB CYS A 11 -4.887 1.107 0.759 1.00 0.00 C ATOM 168 SG CYS A 11 -3.477 0.192 0.081 1.00 0.00 S ATOM 0 H CYS A 11 -6.672 2.771 0.981 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.408 1.669 -1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.555 2.062 1.167 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.337 0.549 1.580 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.597 -0.005 1.017 1.00 0.00 H new ATOM 173 N LYS A 12 -7.576 -0.337 0.231 1.00 0.00 N ATOM 174 CA LYS A 12 -8.331 -1.570 0.044 1.00 0.00 C ATOM 175 C LYS A 12 -9.139 -1.508 -1.247 1.00 0.00 C ATOM 176 O LYS A 12 -9.193 -2.477 -2.003 1.00 0.00 O ATOM 177 CB LYS A 12 -9.275 -1.793 1.228 1.00 0.00 C ATOM 178 CG LYS A 12 -8.460 -2.129 2.477 1.00 0.00 C ATOM 179 CD LYS A 12 -9.406 -2.369 3.655 1.00 0.00 C ATOM 180 CE LYS A 12 -8.593 -2.723 4.901 1.00 0.00 C ATOM 181 NZ LYS A 12 -9.516 -2.962 6.046 1.00 0.00 N ATOM 0 H LYS A 12 -7.824 0.194 1.066 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.627 -2.400 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.874 -0.899 1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.969 -2.603 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.851 -3.016 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.775 -1.313 2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.006 -1.478 3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.099 -3.176 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.990 -3.612 4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.903 -1.914 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.963 -3.203 6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.073 -2.103 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.158 -3.748 5.817 1.00 0.00 H new ATOM 195 N LYS A 13 -9.750 -0.357 -1.503 1.00 0.00 N ATOM 196 CA LYS A 13 -10.535 -0.184 -2.719 1.00 0.00 C ATOM 197 C LYS A 13 -9.645 -0.289 -3.951 1.00 0.00 C ATOM 198 O LYS A 13 -10.031 -0.881 -4.959 1.00 0.00 O ATOM 199 CB LYS A 13 -11.253 1.168 -2.707 1.00 0.00 C ATOM 200 CG LYS A 13 -12.364 1.142 -1.656 1.00 0.00 C ATOM 201 CD LYS A 13 -13.100 2.482 -1.655 1.00 0.00 C ATOM 202 CE LYS A 13 -14.195 2.464 -0.588 1.00 0.00 C ATOM 203 NZ LYS A 13 -15.179 1.391 -0.908 1.00 0.00 N ATOM 0 H LYS A 13 -9.718 0.460 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.281 -0.978 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.545 1.966 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.672 1.379 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.062 0.332 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.942 0.947 -0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.399 3.293 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.537 2.669 -2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.758 2.290 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.695 3.432 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.068 1.572 -0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.362 1.382 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.795 0.469 -0.617 1.00 0.00 H new ATOM 217 N LEU A 14 -8.453 0.286 -3.865 1.00 0.00 N ATOM 218 CA LEU A 14 -7.521 0.247 -4.982 1.00 0.00 C ATOM 219 C LEU A 14 -7.124 -1.193 -5.300 1.00 0.00 C ATOM 220 O LEU A 14 -7.081 -1.598 -6.467 1.00 0.00 O ATOM 221 CB LEU A 14 -6.272 1.063 -4.610 1.00 0.00 C ATOM 222 CG LEU A 14 -6.563 2.574 -4.725 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.548 3.365 -3.889 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.422 3.026 -6.186 1.00 0.00 C ATOM 0 H LEU A 14 -8.111 0.781 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.997 0.672 -5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.962 0.822 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.445 0.794 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.577 2.756 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.759 4.431 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.623 3.063 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.541 3.164 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.629 4.094 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.407 2.829 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.130 2.476 -6.807 1.00 0.00 H new ATOM 236 N LEU A 15 -6.851 -1.969 -4.262 1.00 0.00 N ATOM 237 CA LEU A 15 -6.467 -3.354 -4.466 1.00 0.00 C ATOM 238 C LEU A 15 -7.610 -4.133 -5.106 1.00 0.00 C ATOM 239 O LEU A 15 -7.399 -4.913 -6.033 1.00 0.00 O ATOM 240 CB LEU A 15 -6.100 -3.975 -3.118 1.00 0.00 C ATOM 241 CG LEU A 15 -4.793 -3.351 -2.599 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.562 -3.788 -1.148 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.595 -3.786 -3.474 1.00 0.00 C ATOM 0 H LEU A 15 -6.887 -1.669 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.607 -3.395 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.903 -3.810 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.983 -5.054 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.878 -2.265 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.636 -3.347 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.395 -3.454 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.490 -4.875 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.681 -3.334 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.501 -4.872 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.757 -3.460 -4.501 1.00 0.00 H new ATOM 255 N ASP A 16 -8.825 -3.899 -4.621 1.00 0.00 N ATOM 256 CA ASP A 16 -9.995 -4.570 -5.173 1.00 0.00 C ATOM 257 C ASP A 16 -10.253 -4.111 -6.607 1.00 0.00 C ATOM 258 O ASP A 16 -10.592 -4.908 -7.487 1.00 0.00 O ATOM 259 CB ASP A 16 -11.219 -4.287 -4.299 1.00 0.00 C ATOM 260 CG ASP A 16 -11.097 -5.038 -2.976 1.00 0.00 C ATOM 261 OD1 ASP A 16 -10.241 -5.903 -2.884 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.862 -4.738 -2.073 1.00 0.00 O ATOM 0 H ASP A 16 -9.024 -3.256 -3.854 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.807 -5.644 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.304 -3.216 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.127 -4.593 -4.819 1.00 0.00 H new ATOM 267 N ASP A 17 -10.087 -2.813 -6.833 1.00 0.00 N ATOM 268 CA ASP A 17 -10.308 -2.234 -8.152 1.00 0.00 C ATOM 269 C ASP A 17 -9.219 -2.680 -9.112 1.00 0.00 C ATOM 270 O ASP A 17 -9.314 -2.466 -10.319 1.00 0.00 O ATOM 271 CB ASP A 17 -10.331 -0.706 -8.065 1.00 0.00 C ATOM 272 CG ASP A 17 -11.596 -0.245 -7.347 1.00 0.00 C ATOM 273 OD1 ASP A 17 -11.651 0.915 -6.972 1.00 0.00 O ATOM 274 OD2 ASP A 17 -12.488 -1.059 -7.180 1.00 0.00 O ATOM 0 H ASP A 17 -9.800 -2.142 -6.120 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.272 -2.581 -8.524 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.450 -0.350 -7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.293 -0.276 -9.066 1.00 0.00 H new ATOM 279 N SER A 18 -8.178 -3.291 -8.566 1.00 0.00 N ATOM 280 CA SER A 18 -7.066 -3.750 -9.382 1.00 0.00 C ATOM 281 C SER A 18 -7.545 -4.746 -10.423 1.00 0.00 C ATOM 282 O SER A 18 -6.878 -4.976 -11.432 1.00 0.00 O ATOM 283 CB SER A 18 -6.012 -4.411 -8.497 1.00 0.00 C ATOM 284 OG SER A 18 -6.483 -5.682 -8.070 1.00 0.00 O ATOM 0 H SER A 18 -8.081 -3.479 -7.568 1.00 0.00 H new ATOM 0 HA SER A 18 -6.631 -2.889 -9.889 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.078 -4.523 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.799 -3.781 -7.633 1.00 0.00 H new ATOM 0 HG SER A 18 -6.655 -5.660 -7.106 1.00 0.00 H new ATOM 290 N SER A 19 -8.705 -5.332 -10.175 1.00 0.00 N ATOM 291 CA SER A 19 -9.262 -6.307 -11.111 1.00 0.00 C ATOM 292 C SER A 19 -9.933 -5.602 -12.285 1.00 0.00 C ATOM 293 O SER A 19 -10.224 -6.214 -13.313 1.00 0.00 O ATOM 294 CB SER A 19 -10.282 -7.194 -10.398 1.00 0.00 C ATOM 295 OG SER A 19 -11.416 -6.413 -10.046 1.00 0.00 O ATOM 0 H SER A 19 -9.275 -5.156 -9.348 1.00 0.00 H new ATOM 0 HA SER A 19 -8.446 -6.923 -11.489 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.580 -8.018 -11.046 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.838 -7.634 -9.505 1.00 0.00 H new ATOM 0 HG SER A 19 -11.217 -5.892 -9.240 1.00 0.00 H new ATOM 301 N SER A 20 -10.154 -4.309 -12.121 1.00 0.00 N ATOM 302 CA SER A 20 -10.770 -3.494 -13.164 1.00 0.00 C ATOM 303 C SER A 20 -9.734 -3.086 -14.208 1.00 0.00 C ATOM 304 O SER A 20 -8.548 -2.964 -13.906 1.00 0.00 O ATOM 305 CB SER A 20 -11.418 -2.247 -12.561 1.00 0.00 C ATOM 306 OG SER A 20 -12.408 -2.645 -11.621 1.00 0.00 O ATOM 0 H SER A 20 -9.916 -3.795 -11.273 1.00 0.00 H new ATOM 0 HA SER A 20 -11.542 -4.092 -13.648 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.663 -1.630 -12.074 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.868 -1.640 -13.347 1.00 0.00 H new ATOM 0 HG SER A 20 -12.826 -1.850 -11.230 1.00 0.00 H new ATOM 313 N LYS B 1 -10.194 -2.867 -15.434 1.00 0.00 N ATOM 314 CA LYS B 1 -9.305 -2.463 -16.514 1.00 0.00 C ATOM 315 C LYS B 1 -8.892 -1.014 -16.339 1.00 0.00 C ATOM 316 O LYS B 1 -8.366 -0.390 -17.261 1.00 0.00 O ATOM 317 CB LYS B 1 -9.996 -2.640 -17.867 1.00 0.00 C ATOM 318 CG LYS B 1 -10.211 -4.129 -18.128 1.00 0.00 C ATOM 319 CD LYS B 1 -10.903 -4.319 -19.477 1.00 0.00 C ATOM 320 CE LYS B 1 -11.115 -5.813 -19.735 1.00 0.00 C ATOM 321 NZ LYS B 1 -11.793 -5.997 -21.049 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.201 -3.904 -15.360 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.417 -3.095 -16.483 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -10.952 -2.116 -17.873 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.388 -2.203 -18.659 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.254 -4.651 -18.122 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -10.817 -4.564 -17.333 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -11.861 -3.798 -19.483 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -10.298 -3.884 -20.273 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -10.157 -6.333 -19.732 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -11.718 -6.249 -18.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -11.938 -7.012 -21.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -12.713 -5.513 -21.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -11.202 -5.595 -21.804 1.00 0.00 H new ATOM 335 N ASN B 2 -9.155 -0.471 -15.162 1.00 0.00 N ATOM 336 CA ASN B 2 -8.827 0.922 -14.905 1.00 0.00 C ATOM 337 C ASN B 2 -7.320 1.180 -15.062 1.00 0.00 C ATOM 338 O ASN B 2 -6.510 0.285 -14.820 1.00 0.00 O ATOM 339 CB ASN B 2 -9.261 1.320 -13.493 1.00 0.00 C ATOM 340 CG ASN B 2 -8.643 0.365 -12.474 1.00 0.00 C ATOM 341 OD1 ASN B 2 -8.363 -0.788 -12.800 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.408 0.774 -11.256 1.00 0.00 N ATOM 0 H ASN B 2 -9.588 -0.964 -14.381 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.363 1.525 -15.638 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -8.950 2.343 -13.282 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.348 1.295 -13.416 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -7.993 0.138 -10.576 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -8.640 1.730 -10.985 1.00 0.00 H new ATOM 349 N PRO B 3 -6.921 2.381 -15.450 1.00 0.00 N ATOM 350 CA PRO B 3 -5.469 2.735 -15.622 1.00 0.00 C ATOM 351 C PRO B 3 -4.657 2.514 -14.341 1.00 0.00 C ATOM 352 O PRO B 3 -3.455 2.258 -14.390 1.00 0.00 O ATOM 353 CB PRO B 3 -5.494 4.231 -15.993 1.00 0.00 C ATOM 354 CG PRO B 3 -6.859 4.474 -16.543 1.00 0.00 C ATOM 355 CD PRO B 3 -7.789 3.539 -15.776 1.00 0.00 C ATOM 0 HA PRO B 3 -4.990 2.108 -16.374 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.304 4.856 -15.121 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.725 4.467 -16.729 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -7.154 5.515 -16.410 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.892 4.267 -17.613 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.182 4.012 -14.876 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -8.646 3.241 -16.380 1.00 0.00 H new ATOM 363 N GLU B 4 -5.325 2.641 -13.199 1.00 0.00 N ATOM 364 CA GLU B 4 -4.665 2.482 -11.905 1.00 0.00 C ATOM 365 C GLU B 4 -4.114 1.069 -11.760 1.00 0.00 C ATOM 366 O GLU B 4 -3.319 0.792 -10.861 1.00 0.00 O ATOM 367 CB GLU B 4 -5.650 2.770 -10.773 1.00 0.00 C ATOM 368 CG GLU B 4 -6.116 4.227 -10.839 1.00 0.00 C ATOM 369 CD GLU B 4 -4.948 5.163 -10.552 1.00 0.00 C ATOM 370 OE1 GLU B 4 -3.978 4.704 -9.971 1.00 0.00 O ATOM 371 OE2 GLU B 4 -5.048 6.328 -10.898 1.00 0.00 O ATOM 0 H GLU B 4 -6.321 2.853 -13.142 1.00 0.00 H new ATOM 0 HA GLU B 4 -3.839 3.191 -11.849 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.508 2.102 -10.848 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.177 2.574 -9.811 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.530 4.440 -11.825 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -6.913 4.395 -10.115 1.00 0.00 H new ATOM 378 N ALA B 5 -4.538 0.183 -12.652 1.00 0.00 N ATOM 379 CA ALA B 5 -4.088 -1.203 -12.615 1.00 0.00 C ATOM 380 C ALA B 5 -2.567 -1.262 -12.720 1.00 0.00 C ATOM 381 O ALA B 5 -1.927 -2.125 -12.118 1.00 0.00 O ATOM 382 CB ALA B 5 -4.712 -1.984 -13.774 1.00 0.00 C ATOM 0 H ALA B 5 -5.190 0.398 -13.407 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.399 -1.649 -11.670 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.372 -3.019 -13.740 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -5.798 -1.956 -13.688 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.411 -1.534 -14.720 1.00 0.00 H new ATOM 388 N GLU B 6 -1.987 -0.342 -13.480 1.00 0.00 N ATOM 389 CA GLU B 6 -0.538 -0.306 -13.638 1.00 0.00 C ATOM 390 C GLU B 6 0.139 -0.061 -12.290 1.00 0.00 C ATOM 391 O GLU B 6 1.176 -0.651 -11.986 1.00 0.00 O ATOM 392 CB GLU B 6 -0.152 0.813 -14.608 1.00 0.00 C ATOM 393 CG GLU B 6 -0.606 0.447 -16.021 1.00 0.00 C ATOM 394 CD GLU B 6 -0.315 1.598 -16.978 1.00 0.00 C ATOM 395 OE1 GLU B 6 0.154 2.624 -16.514 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.569 1.438 -18.161 1.00 0.00 O ATOM 0 H GLU B 6 -2.491 0.382 -13.992 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.207 -1.266 -14.033 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.613 1.751 -14.299 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.927 0.967 -14.590 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.091 -0.454 -16.355 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.673 0.223 -16.022 1.00 0.00 H new ATOM 403 N GLU B 7 -0.458 0.813 -11.486 1.00 0.00 N ATOM 404 CA GLU B 7 0.095 1.129 -10.176 1.00 0.00 C ATOM 405 C GLU B 7 0.061 -0.107 -9.283 1.00 0.00 C ATOM 406 O GLU B 7 0.961 -0.328 -8.471 1.00 0.00 O ATOM 407 CB GLU B 7 -0.693 2.267 -9.519 1.00 0.00 C ATOM 408 CG GLU B 7 0.106 2.827 -8.336 1.00 0.00 C ATOM 409 CD GLU B 7 1.354 3.551 -8.844 1.00 0.00 C ATOM 410 OE1 GLU B 7 2.448 3.038 -8.643 1.00 0.00 O ATOM 411 OE2 GLU B 7 1.198 4.612 -9.429 1.00 0.00 O ATOM 0 H GLU B 7 -1.318 1.311 -11.717 1.00 0.00 H new ATOM 0 HA GLU B 7 1.129 1.450 -10.306 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.888 3.056 -10.246 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -1.662 1.903 -9.177 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.514 3.514 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.393 2.018 -7.665 1.00 0.00 H new ATOM 418 N ILE B 8 -0.991 -0.903 -9.431 1.00 0.00 N ATOM 419 CA ILE B 8 -1.142 -2.111 -8.621 1.00 0.00 C ATOM 420 C ILE B 8 0.009 -3.069 -8.911 1.00 0.00 C ATOM 421 O ILE B 8 0.566 -3.680 -7.999 1.00 0.00 O ATOM 422 CB ILE B 8 -2.476 -2.805 -8.938 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.623 -1.790 -8.749 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.676 -4.044 -8.014 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.615 -1.197 -7.337 1.00 0.00 C ATOM 0 H ILE B 8 -1.746 -0.739 -10.096 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.131 -1.830 -7.568 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.472 -3.157 -9.970 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -3.527 -0.989 -9.482 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -4.579 -2.280 -8.935 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.625 -4.525 -8.251 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.862 -4.751 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.681 -3.724 -6.972 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.435 -0.486 -7.236 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -3.736 -1.996 -6.606 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -2.668 -0.686 -7.162 1.00 0.00 H new ATOM 437 N THR B 9 0.364 -3.195 -10.187 1.00 0.00 N ATOM 438 CA THR B 9 1.454 -4.080 -10.580 1.00 0.00 C ATOM 439 C THR B 9 2.750 -3.628 -9.911 1.00 0.00 C ATOM 440 O THR B 9 3.523 -4.448 -9.413 1.00 0.00 O ATOM 441 CB THR B 9 1.622 -4.063 -12.103 1.00 0.00 C ATOM 442 OG1 THR B 9 0.430 -4.534 -12.713 1.00 0.00 O ATOM 443 CG2 THR B 9 2.792 -4.967 -12.500 1.00 0.00 C ATOM 0 H THR B 9 -0.083 -2.700 -10.959 1.00 0.00 H new ATOM 0 HA THR B 9 1.220 -5.096 -10.262 1.00 0.00 H new ATOM 0 HB THR B 9 1.824 -3.045 -12.436 1.00 0.00 H new ATOM 0 HG1 THR B 9 0.534 -4.522 -13.687 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.910 -4.954 -13.583 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.707 -4.605 -12.031 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.593 -5.986 -12.169 1.00 0.00 H new ATOM 451 N ARG B 10 2.971 -2.318 -9.885 1.00 0.00 N ATOM 452 CA ARG B 10 4.166 -1.765 -9.256 1.00 0.00 C ATOM 453 C ARG B 10 4.188 -2.092 -7.765 1.00 0.00 C ATOM 454 O ARG B 10 5.237 -2.413 -7.205 1.00 0.00 O ATOM 455 CB ARG B 10 4.193 -0.248 -9.448 1.00 0.00 C ATOM 456 CG ARG B 10 4.503 0.082 -10.909 1.00 0.00 C ATOM 457 CD ARG B 10 4.301 1.579 -11.147 1.00 0.00 C ATOM 458 NE ARG B 10 5.119 2.356 -10.225 1.00 0.00 N ATOM 459 CZ ARG B 10 6.400 2.604 -10.477 1.00 0.00 C ATOM 460 NH1 ARG B 10 7.106 3.307 -9.635 1.00 0.00 N ATOM 461 NH2 ARG B 10 6.951 2.142 -11.566 1.00 0.00 N ATOM 0 H ARG B 10 2.343 -1.623 -10.289 1.00 0.00 H new ATOM 0 HA ARG B 10 5.044 -2.210 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.232 0.181 -9.164 1.00 0.00 H new ATOM 0 HB3 ARG B 10 4.946 0.197 -8.797 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.529 -0.200 -11.147 1.00 0.00 H new ATOM 0 HG3 ARG B 10 3.853 -0.493 -11.569 1.00 0.00 H new ATOM 0 HD2 ARG B 10 4.564 1.829 -12.175 1.00 0.00 H new ATOM 0 HD3 ARG B 10 3.250 1.836 -11.015 1.00 0.00 H new ATOM 0 HE ARG B 10 4.700 2.717 -9.368 1.00 0.00 H new ATOM 0 HH11 ARG B 10 6.675 3.666 -8.783 1.00 0.00 H new ATOM 0 HH12 ARG B 10 8.089 3.497 -9.828 1.00 0.00 H new ATOM 0 HH21 ARG B 10 6.398 1.591 -12.223 1.00 0.00 H new ATOM 0 HH22 ARG B 10 7.934 2.332 -11.760 1.00 0.00 H new ATOM 475 N CYS B 11 3.026 -2.015 -7.131 1.00 0.00 N ATOM 476 CA CYS B 11 2.921 -2.312 -5.709 1.00 0.00 C ATOM 477 C CYS B 11 3.424 -3.722 -5.416 1.00 0.00 C ATOM 478 O CYS B 11 4.163 -3.941 -4.456 1.00 0.00 O ATOM 479 CB CYS B 11 1.467 -2.181 -5.261 1.00 0.00 C ATOM 480 SG CYS B 11 1.412 -2.008 -3.458 1.00 0.00 S ATOM 0 H CYS B 11 2.147 -1.751 -7.576 1.00 0.00 H new ATOM 0 HA CYS B 11 3.538 -1.601 -5.159 1.00 0.00 H new ATOM 0 HB2 CYS B 11 1.004 -1.316 -5.736 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.898 -3.057 -5.572 1.00 0.00 H new ATOM 0 HG CYS B 11 0.176 -1.894 -3.070 1.00 0.00 H new ATOM 485 N LYS B 12 3.016 -4.676 -6.248 1.00 0.00 N ATOM 486 CA LYS B 12 3.433 -6.059 -6.059 1.00 0.00 C ATOM 487 C LYS B 12 4.947 -6.180 -6.180 1.00 0.00 C ATOM 488 O LYS B 12 5.588 -6.874 -5.391 1.00 0.00 O ATOM 489 CB LYS B 12 2.764 -6.953 -7.104 1.00 0.00 C ATOM 490 CG LYS B 12 1.268 -7.062 -6.808 1.00 0.00 C ATOM 491 CD LYS B 12 0.608 -7.967 -7.850 1.00 0.00 C ATOM 492 CE LYS B 12 -0.884 -8.101 -7.538 1.00 0.00 C ATOM 493 NZ LYS B 12 -1.526 -8.987 -8.550 1.00 0.00 N ATOM 0 H LYS B 12 2.405 -4.519 -7.049 1.00 0.00 H new ATOM 0 HA LYS B 12 3.131 -6.378 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.918 -6.541 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.219 -7.943 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.113 -7.467 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.810 -6.073 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS B 12 0.746 -7.551 -8.848 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.081 -8.949 -7.846 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.022 -8.513 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -1.358 -7.119 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -2.540 -9.078 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -1.406 -8.576 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -1.081 -9.926 -8.521 1.00 0.00 H new ATOM 507 N LYS B 13 5.516 -5.487 -7.160 1.00 0.00 N ATOM 508 CA LYS B 13 6.959 -5.518 -7.353 1.00 0.00 C ATOM 509 C LYS B 13 7.676 -4.912 -6.153 1.00 0.00 C ATOM 510 O LYS B 13 8.711 -5.415 -5.715 1.00 0.00 O ATOM 511 CB LYS B 13 7.344 -4.763 -8.627 1.00 0.00 C ATOM 512 CG LYS B 13 6.877 -5.560 -9.846 1.00 0.00 C ATOM 513 CD LYS B 13 7.273 -4.820 -11.123 1.00 0.00 C ATOM 514 CE LYS B 13 6.793 -5.609 -12.341 1.00 0.00 C ATOM 515 NZ LYS B 13 7.449 -6.948 -12.350 1.00 0.00 N ATOM 0 H LYS B 13 5.007 -4.904 -7.825 1.00 0.00 H new ATOM 0 HA LYS B 13 7.266 -6.559 -7.453 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.888 -3.773 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS B 13 8.424 -4.617 -8.665 1.00 0.00 H new ATOM 0 HG2 LYS B 13 7.324 -6.554 -9.836 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.796 -5.696 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.835 -3.822 -11.128 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.355 -4.694 -11.162 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.709 -5.722 -12.311 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.032 -5.068 -13.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.422 -7.342 -13.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.438 -6.852 -12.043 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.945 -7.586 -11.701 1.00 0.00 H new ATOM 529 N LEU B 14 7.119 -3.832 -5.623 1.00 0.00 N ATOM 530 CA LEU B 14 7.716 -3.170 -4.473 1.00 0.00 C ATOM 531 C LEU B 14 7.739 -4.104 -3.267 1.00 0.00 C ATOM 532 O LEU B 14 8.743 -4.196 -2.551 1.00 0.00 O ATOM 533 CB LEU B 14 6.893 -1.913 -4.144 1.00 0.00 C ATOM 534 CG LEU B 14 7.217 -0.784 -5.147 1.00 0.00 C ATOM 535 CD1 LEU B 14 6.077 0.244 -5.158 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.502 -0.057 -4.725 1.00 0.00 C ATOM 0 H LEU B 14 6.262 -3.399 -5.968 1.00 0.00 H new ATOM 0 HA LEU B 14 8.744 -2.894 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.829 -2.147 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.112 -1.581 -3.129 1.00 0.00 H new ATOM 0 HG LEU B 14 7.341 -1.228 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.310 1.038 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.149 -0.245 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.961 0.670 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.722 0.737 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.367 0.374 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.330 -0.765 -4.704 1.00 0.00 H new ATOM 548 N LEU B 15 6.639 -4.809 -3.050 1.00 0.00 N ATOM 549 CA LEU B 15 6.566 -5.725 -1.926 1.00 0.00 C ATOM 550 C LEU B 15 7.587 -6.845 -2.092 1.00 0.00 C ATOM 551 O LEU B 15 8.280 -7.211 -1.143 1.00 0.00 O ATOM 552 CB LEU B 15 5.156 -6.311 -1.846 1.00 0.00 C ATOM 553 CG LEU B 15 4.159 -5.210 -1.444 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.730 -5.740 -1.597 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.396 -4.762 0.017 1.00 0.00 C ATOM 0 H LEU B 15 5.799 -4.765 -3.627 1.00 0.00 H new ATOM 0 HA LEU B 15 6.790 -5.186 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.874 -6.737 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.130 -7.122 -1.118 1.00 0.00 H new ATOM 0 HG LEU B 15 4.306 -4.349 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.021 -4.962 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.557 -6.027 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.593 -6.609 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.680 -3.983 0.279 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.266 -5.614 0.684 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.409 -4.373 0.118 1.00 0.00 H new ATOM 567 N ASP B 16 7.694 -7.369 -3.308 1.00 0.00 N ATOM 568 CA ASP B 16 8.655 -8.428 -3.586 1.00 0.00 C ATOM 569 C ASP B 16 10.086 -7.904 -3.460 1.00 0.00 C ATOM 570 O ASP B 16 10.972 -8.574 -2.922 1.00 0.00 O ATOM 571 CB ASP B 16 8.422 -8.990 -4.989 1.00 0.00 C ATOM 572 CG ASP B 16 7.132 -9.805 -5.013 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.614 -10.091 -3.946 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.680 -10.134 -6.098 1.00 0.00 O ATOM 0 H ASP B 16 7.133 -7.081 -4.109 1.00 0.00 H new ATOM 0 HA ASP B 16 8.515 -9.224 -2.855 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.362 -8.176 -5.711 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.264 -9.616 -5.284 1.00 0.00 H new ATOM 579 N ASP B 17 10.299 -6.692 -3.960 1.00 0.00 N ATOM 580 CA ASP B 17 11.616 -6.069 -3.918 1.00 0.00 C ATOM 581 C ASP B 17 11.975 -5.692 -2.491 1.00 0.00 C ATOM 582 O ASP B 17 13.114 -5.334 -2.201 1.00 0.00 O ATOM 583 CB ASP B 17 11.646 -4.825 -4.809 1.00 0.00 C ATOM 584 CG ASP B 17 11.595 -5.234 -6.277 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.359 -4.370 -7.105 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.792 -6.407 -6.553 1.00 0.00 O ATOM 0 H ASP B 17 9.576 -6.122 -4.399 1.00 0.00 H new ATOM 0 HA ASP B 17 12.349 -6.786 -4.289 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.801 -4.178 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.551 -4.250 -4.614 1.00 0.00 H new ATOM 591 N SER B 18 10.992 -5.763 -1.605 1.00 0.00 N ATOM 592 CA SER B 18 11.215 -5.412 -0.212 1.00 0.00 C ATOM 593 C SER B 18 12.290 -6.298 0.393 1.00 0.00 C ATOM 594 O SER B 18 12.892 -5.956 1.412 1.00 0.00 O ATOM 595 CB SER B 18 9.919 -5.572 0.580 1.00 0.00 C ATOM 596 OG SER B 18 9.644 -6.955 0.762 1.00 0.00 O ATOM 0 H SER B 18 10.040 -6.058 -1.824 1.00 0.00 H new ATOM 0 HA SER B 18 11.544 -4.374 -0.166 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.008 -5.077 1.547 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.095 -5.093 0.051 1.00 0.00 H new ATOM 0 HG SER B 18 9.199 -7.308 -0.037 1.00 0.00 H new ATOM 602 N SER B 19 12.533 -7.435 -0.239 1.00 0.00 N ATOM 603 CA SER B 19 13.549 -8.363 0.257 1.00 0.00 C ATOM 604 C SER B 19 14.941 -7.904 -0.156 1.00 0.00 C ATOM 605 O SER B 19 15.949 -8.367 0.379 1.00 0.00 O ATOM 606 CB SER B 19 13.292 -9.766 -0.290 1.00 0.00 C ATOM 607 OG SER B 19 13.550 -9.776 -1.689 1.00 0.00 O ATOM 0 H SER B 19 12.051 -7.739 -1.085 1.00 0.00 H new ATOM 0 HA SER B 19 13.491 -8.383 1.345 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.932 -10.489 0.215 1.00 0.00 H new ATOM 0 HB3 SER B 19 12.261 -10.062 -0.096 1.00 0.00 H new ATOM 0 HG SER B 19 12.783 -9.395 -2.166 1.00 0.00 H new ATOM 613 N SER B 20 14.980 -6.981 -1.101 1.00 0.00 N ATOM 614 CA SER B 20 16.241 -6.429 -1.587 1.00 0.00 C ATOM 615 C SER B 20 16.755 -5.345 -0.645 1.00 0.00 C ATOM 616 O SER B 20 15.972 -4.661 0.016 1.00 0.00 O ATOM 617 CB SER B 20 16.066 -5.855 -2.995 1.00 0.00 C ATOM 618 OG SER B 20 15.600 -6.880 -3.863 1.00 0.00 O ATOM 0 H SER B 20 14.151 -6.594 -1.551 1.00 0.00 H new ATOM 0 HA SER B 20 16.973 -7.236 -1.622 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.358 -5.027 -2.978 1.00 0.00 H new ATOM 0 HB3 SER B 20 17.013 -5.457 -3.359 1.00 0.00 H new ATOM 0 HG SER B 20 15.485 -6.517 -4.766 1.00 0.00 H new ATOM 625 N LYS C 1 18.071 -5.180 -0.605 1.00 0.00 N ATOM 626 CA LYS C 1 18.682 -4.164 0.240 1.00 0.00 C ATOM 627 C LYS C 1 18.453 -2.789 -0.357 1.00 0.00 C ATOM 628 O LYS C 1 19.099 -1.814 0.026 1.00 0.00 O ATOM 629 CB LYS C 1 20.185 -4.414 0.383 1.00 0.00 C ATOM 630 CG LYS C 1 20.409 -5.695 1.183 1.00 0.00 C ATOM 631 CD LYS C 1 21.909 -5.950 1.331 1.00 0.00 C ATOM 632 CE LYS C 1 22.130 -7.232 2.135 1.00 0.00 C ATOM 633 NZ LYS C 1 23.592 -7.483 2.276 1.00 0.00 N ATOM 0 H3 LYS C 1 17.959 -6.061 -0.063 1.00 0.00 H new ATOM 0 HA LYS C 1 18.221 -4.215 1.226 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.646 -4.501 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.660 -3.571 0.884 1.00 0.00 H new ATOM 0 HG2 LYS C 1 19.946 -5.608 2.166 1.00 0.00 H new ATOM 0 HG3 LYS C 1 19.934 -6.538 0.680 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.372 -6.040 0.348 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.385 -5.107 1.832 1.00 0.00 H new ATOM 0 HE2 LYS C 1 21.669 -7.141 3.119 1.00 0.00 H new ATOM 0 HE3 LYS C 1 21.652 -8.075 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 23.743 -8.355 2.823 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 24.019 -7.587 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 24.036 -6.683 2.771 1.00 0.00 H new ATOM 647 N ASN C 2 17.549 -2.721 -1.321 1.00 0.00 N ATOM 648 CA ASN C 2 17.276 -1.459 -1.987 1.00 0.00 C ATOM 649 C ASN C 2 16.787 -0.395 -0.991 1.00 0.00 C ATOM 650 O ASN C 2 16.160 -0.729 0.014 1.00 0.00 O ATOM 651 CB ASN C 2 16.218 -1.648 -3.076 1.00 0.00 C ATOM 652 CG ASN C 2 14.971 -2.294 -2.477 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.063 -3.003 -1.476 1.00 0.00 O ATOM 654 ND2 ASN C 2 13.804 -2.089 -3.026 1.00 0.00 N ATOM 0 H ASN C 2 16.999 -3.512 -1.656 1.00 0.00 H new ATOM 0 HA ASN C 2 18.209 -1.118 -2.435 1.00 0.00 H new ATOM 0 HB2 ASN C 2 15.963 -0.685 -3.520 1.00 0.00 H new ATOM 0 HB3 ASN C 2 16.614 -2.273 -3.876 1.00 0.00 H new ATOM 0 HD21 ASN C 2 12.969 -2.517 -2.625 1.00 0.00 H new ATOM 0 HD22 ASN C 2 13.727 -1.501 -3.856 1.00 0.00 H new ATOM 661 N PRO C 3 17.046 0.876 -1.249 1.00 0.00 N ATOM 662 CA PRO C 3 16.601 1.992 -0.344 1.00 0.00 C ATOM 663 C PRO C 3 15.083 1.998 -0.129 1.00 0.00 C ATOM 664 O PRO C 3 14.593 2.461 0.900 1.00 0.00 O ATOM 665 CB PRO C 3 17.046 3.269 -1.084 1.00 0.00 C ATOM 666 CG PRO C 3 18.141 2.832 -1.995 1.00 0.00 C ATOM 667 CD PRO C 3 17.789 1.408 -2.417 1.00 0.00 C ATOM 0 HA PRO C 3 17.031 1.896 0.653 1.00 0.00 H new ATOM 0 HB2 PRO C 3 16.220 3.708 -1.644 1.00 0.00 H new ATOM 0 HB3 PRO C 3 17.396 4.028 -0.384 1.00 0.00 H new ATOM 0 HG2 PRO C 3 18.214 3.489 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO C 3 19.106 2.862 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO C 3 17.179 1.396 -3.320 1.00 0.00 H new ATOM 0 HD3 PRO C 3 18.682 0.819 -2.627 1.00 0.00 H new ATOM 675 N GLU C 4 14.352 1.501 -1.121 1.00 0.00 N ATOM 676 CA GLU C 4 12.894 1.470 -1.054 1.00 0.00 C ATOM 677 C GLU C 4 12.431 0.595 0.103 1.00 0.00 C ATOM 678 O GLU C 4 11.261 0.624 0.488 1.00 0.00 O ATOM 679 CB GLU C 4 12.316 0.937 -2.366 1.00 0.00 C ATOM 680 CG GLU C 4 12.681 1.876 -3.519 1.00 0.00 C ATOM 681 CD GLU C 4 11.991 3.222 -3.336 1.00 0.00 C ATOM 682 OE1 GLU C 4 11.022 3.273 -2.596 1.00 0.00 O ATOM 683 OE2 GLU C 4 12.439 4.182 -3.940 1.00 0.00 O ATOM 0 H GLU C 4 14.744 1.115 -1.980 1.00 0.00 H new ATOM 0 HA GLU C 4 12.537 2.487 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU C 4 12.703 -0.063 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU C 4 11.232 0.849 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU C 4 13.761 2.015 -3.557 1.00 0.00 H new ATOM 0 HG3 GLU C 4 12.383 1.432 -4.469 1.00 0.00 H new ATOM 690 N ALA C 5 13.356 -0.181 0.656 1.00 0.00 N ATOM 691 CA ALA C 5 13.034 -1.066 1.767 1.00 0.00 C ATOM 692 C ALA C 5 12.470 -0.260 2.934 1.00 0.00 C ATOM 693 O ALA C 5 11.596 -0.732 3.660 1.00 0.00 O ATOM 694 CB ALA C 5 14.294 -1.811 2.219 1.00 0.00 C ATOM 0 H ALA C 5 14.330 -0.215 0.355 1.00 0.00 H new ATOM 0 HA ALA C 5 12.286 -1.787 1.438 1.00 0.00 H new ATOM 0 HB1 ALA C 5 14.048 -2.472 3.050 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.685 -2.401 1.390 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.047 -1.091 2.539 1.00 0.00 H new ATOM 700 N GLU C 6 12.963 0.960 3.105 1.00 0.00 N ATOM 701 CA GLU C 6 12.481 1.816 4.184 1.00 0.00 C ATOM 702 C GLU C 6 10.992 2.113 4.004 1.00 0.00 C ATOM 703 O GLU C 6 10.228 2.140 4.973 1.00 0.00 O ATOM 704 CB GLU C 6 13.264 3.132 4.185 1.00 0.00 C ATOM 705 CG GLU C 6 14.706 2.868 4.621 1.00 0.00 C ATOM 706 CD GLU C 6 15.525 4.151 4.526 1.00 0.00 C ATOM 707 OE1 GLU C 6 14.980 5.148 4.081 1.00 0.00 O ATOM 708 OE2 GLU C 6 16.687 4.118 4.897 1.00 0.00 O ATOM 0 H GLU C 6 13.687 1.376 2.519 1.00 0.00 H new ATOM 0 HA GLU C 6 12.627 1.299 5.132 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.249 3.577 3.190 1.00 0.00 H new ATOM 0 HB3 GLU C 6 12.794 3.847 4.860 1.00 0.00 H new ATOM 0 HG2 GLU C 6 14.722 2.492 5.644 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.149 2.097 3.991 1.00 0.00 H new ATOM 715 N GLU C 7 10.587 2.335 2.759 1.00 0.00 N ATOM 716 CA GLU C 7 9.191 2.630 2.464 1.00 0.00 C ATOM 717 C GLU C 7 8.318 1.427 2.808 1.00 0.00 C ATOM 718 O GLU C 7 7.183 1.576 3.264 1.00 0.00 O ATOM 719 CB GLU C 7 9.017 2.995 0.986 1.00 0.00 C ATOM 720 CG GLU C 7 7.642 3.644 0.777 1.00 0.00 C ATOM 721 CD GLU C 7 7.603 5.015 1.456 1.00 0.00 C ATOM 722 OE1 GLU C 7 6.924 5.144 2.467 1.00 0.00 O ATOM 723 OE2 GLU C 7 8.256 5.918 0.955 1.00 0.00 O ATOM 0 H GLU C 7 11.200 2.317 1.944 1.00 0.00 H new ATOM 0 HA GLU C 7 8.883 3.481 3.071 1.00 0.00 H new ATOM 0 HB2 GLU C 7 9.805 3.680 0.674 1.00 0.00 H new ATOM 0 HB3 GLU C 7 9.107 2.102 0.367 1.00 0.00 H new ATOM 0 HG2 GLU C 7 7.439 3.751 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU C 7 6.862 3.003 1.188 1.00 0.00 H new ATOM 730 N ILE C 8 8.852 0.234 2.574 1.00 0.00 N ATOM 731 CA ILE C 8 8.108 -0.995 2.852 1.00 0.00 C ATOM 732 C ILE C 8 7.803 -1.084 4.345 1.00 0.00 C ATOM 733 O ILE C 8 6.702 -1.458 4.746 1.00 0.00 O ATOM 734 CB ILE C 8 8.926 -2.224 2.425 1.00 0.00 C ATOM 735 CG1 ILE C 8 9.326 -2.069 0.943 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.101 -3.528 2.637 1.00 0.00 C ATOM 737 CD1 ILE C 8 8.096 -1.861 0.054 1.00 0.00 C ATOM 0 H ILE C 8 9.788 0.089 2.196 1.00 0.00 H new ATOM 0 HA ILE C 8 7.176 -0.975 2.287 1.00 0.00 H new ATOM 0 HB ILE C 8 9.825 -2.295 3.037 1.00 0.00 H new ATOM 0 HG12 ILE C 8 10.004 -1.222 0.834 1.00 0.00 H new ATOM 0 HG13 ILE C 8 9.868 -2.956 0.616 1.00 0.00 H new ATOM 0 HG21 ILE C 8 8.695 -4.389 2.330 1.00 0.00 H new ATOM 0 HG22 ILE C 8 7.839 -3.626 3.691 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.190 -3.484 2.039 1.00 0.00 H new ATOM 0 HD11 ILE C 8 8.411 -1.755 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE C 8 7.431 -2.720 0.146 1.00 0.00 H new ATOM 0 HD13 ILE C 8 7.569 -0.960 0.367 1.00 0.00 H new ATOM 749 N THR C 9 8.788 -0.736 5.170 1.00 0.00 N ATOM 750 CA THR C 9 8.606 -0.777 6.616 1.00 0.00 C ATOM 751 C THR C 9 7.477 0.166 7.022 1.00 0.00 C ATOM 752 O THR C 9 6.639 -0.177 7.860 1.00 0.00 O ATOM 753 CB THR C 9 9.901 -0.367 7.322 1.00 0.00 C ATOM 754 OG1 THR C 9 10.930 -1.290 6.992 1.00 0.00 O ATOM 755 CG2 THR C 9 9.681 -0.360 8.836 1.00 0.00 C ATOM 0 H THR C 9 9.711 -0.426 4.865 1.00 0.00 H new ATOM 0 HA THR C 9 8.349 -1.794 6.911 1.00 0.00 H new ATOM 0 HB THR C 9 10.192 0.632 6.998 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.761 -1.028 7.442 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.604 -0.068 9.336 1.00 0.00 H new ATOM 0 HG22 THR C 9 8.892 0.350 9.086 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.389 -1.357 9.166 1.00 0.00 H new ATOM 763 N ARG C 10 7.451 1.346 6.416 1.00 0.00 N ATOM 764 CA ARG C 10 6.408 2.323 6.713 1.00 0.00 C ATOM 765 C ARG C 10 5.034 1.773 6.340 1.00 0.00 C ATOM 766 O ARG C 10 4.057 1.976 7.059 1.00 0.00 O ATOM 767 CB ARG C 10 6.674 3.609 5.929 1.00 0.00 C ATOM 768 CG ARG C 10 7.881 4.334 6.524 1.00 0.00 C ATOM 769 CD ARG C 10 8.287 5.486 5.604 1.00 0.00 C ATOM 770 NE ARG C 10 7.160 6.384 5.386 1.00 0.00 N ATOM 771 CZ ARG C 10 6.857 7.339 6.259 1.00 0.00 C ATOM 772 NH1 ARG C 10 5.846 8.131 6.033 1.00 0.00 N ATOM 773 NH2 ARG C 10 7.571 7.481 7.342 1.00 0.00 N ATOM 0 H ARG C 10 8.133 1.649 5.721 1.00 0.00 H new ATOM 0 HA ARG C 10 6.421 2.533 7.782 1.00 0.00 H new ATOM 0 HB2 ARG C 10 6.858 3.376 4.880 1.00 0.00 H new ATOM 0 HB3 ARG C 10 5.797 4.255 5.962 1.00 0.00 H new ATOM 0 HG2 ARG C 10 7.638 4.715 7.516 1.00 0.00 H new ATOM 0 HG3 ARG C 10 8.713 3.640 6.644 1.00 0.00 H new ATOM 0 HD2 ARG C 10 9.118 6.036 6.045 1.00 0.00 H new ATOM 0 HD3 ARG C 10 8.636 5.092 4.650 1.00 0.00 H new ATOM 0 HE ARG C 10 6.592 6.277 4.546 1.00 0.00 H new ATOM 0 HH11 ARG C 10 5.288 8.017 5.187 1.00 0.00 H new ATOM 0 HH12 ARG C 10 5.613 8.864 6.703 1.00 0.00 H new ATOM 0 HH21 ARG C 10 8.360 6.859 7.518 1.00 0.00 H new ATOM 0 HH22 ARG C 10 7.340 8.214 8.013 1.00 0.00 H new ATOM 787 N CYS C 11 4.968 1.071 5.215 1.00 0.00 N ATOM 788 CA CYS C 11 3.711 0.491 4.762 1.00 0.00 C ATOM 789 C CYS C 11 3.138 -0.441 5.824 1.00 0.00 C ATOM 790 O CYS C 11 1.939 -0.412 6.109 1.00 0.00 O ATOM 791 CB CYS C 11 3.938 -0.285 3.466 1.00 0.00 C ATOM 792 SG CYS C 11 2.348 -0.532 2.627 1.00 0.00 S ATOM 0 H CYS C 11 5.764 0.891 4.604 1.00 0.00 H new ATOM 0 HA CYS C 11 3.000 1.298 4.584 1.00 0.00 H new ATOM 0 HB2 CYS C 11 4.623 0.261 2.817 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.402 -1.248 3.682 1.00 0.00 H new ATOM 0 HG CYS C 11 2.538 -1.191 1.522 1.00 0.00 H new ATOM 797 N LYS C 12 3.998 -1.271 6.406 1.00 0.00 N ATOM 798 CA LYS C 12 3.556 -2.206 7.432 1.00 0.00 C ATOM 799 C LYS C 12 3.004 -1.453 8.636 1.00 0.00 C ATOM 800 O LYS C 12 1.968 -1.823 9.191 1.00 0.00 O ATOM 801 CB LYS C 12 4.723 -3.090 7.875 1.00 0.00 C ATOM 802 CG LYS C 12 5.095 -4.053 6.746 1.00 0.00 C ATOM 803 CD LYS C 12 6.257 -4.941 7.196 1.00 0.00 C ATOM 804 CE LYS C 12 6.610 -5.924 6.078 1.00 0.00 C ATOM 805 NZ LYS C 12 7.742 -6.790 6.517 1.00 0.00 N ATOM 0 H LYS C 12 4.993 -1.315 6.187 1.00 0.00 H new ATOM 0 HA LYS C 12 2.768 -2.831 7.012 1.00 0.00 H new ATOM 0 HB2 LYS C 12 5.582 -2.472 8.137 1.00 0.00 H new ATOM 0 HB3 LYS C 12 4.449 -3.650 8.769 1.00 0.00 H new ATOM 0 HG2 LYS C 12 4.235 -4.668 6.480 1.00 0.00 H new ATOM 0 HG3 LYS C 12 5.375 -3.493 5.854 1.00 0.00 H new ATOM 0 HD2 LYS C 12 7.124 -4.327 7.442 1.00 0.00 H new ATOM 0 HD3 LYS C 12 5.984 -5.485 8.100 1.00 0.00 H new ATOM 0 HE2 LYS C 12 5.743 -6.537 5.831 1.00 0.00 H new ATOM 0 HE3 LYS C 12 6.883 -5.380 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 7.983 -7.458 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 8.569 -6.198 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 7.465 -7.319 7.369 1.00 0.00 H new ATOM 819 N LYS C 13 3.688 -0.383 9.023 1.00 0.00 N ATOM 820 CA LYS C 13 3.239 0.423 10.150 1.00 0.00 C ATOM 821 C LYS C 13 1.894 1.071 9.847 1.00 0.00 C ATOM 822 O LYS C 13 1.020 1.146 10.711 1.00 0.00 O ATOM 823 CB LYS C 13 4.272 1.502 10.483 1.00 0.00 C ATOM 824 CG LYS C 13 5.515 0.844 11.084 1.00 0.00 C ATOM 825 CD LYS C 13 6.543 1.920 11.434 1.00 0.00 C ATOM 826 CE LYS C 13 7.794 1.261 12.015 1.00 0.00 C ATOM 827 NZ LYS C 13 7.432 0.533 13.266 1.00 0.00 N ATOM 0 H LYS C 13 4.546 -0.056 8.579 1.00 0.00 H new ATOM 0 HA LYS C 13 3.125 -0.235 11.011 1.00 0.00 H new ATOM 0 HB2 LYS C 13 4.539 2.056 9.583 1.00 0.00 H new ATOM 0 HB3 LYS C 13 3.851 2.220 11.186 1.00 0.00 H new ATOM 0 HG2 LYS C 13 5.245 0.280 11.977 1.00 0.00 H new ATOM 0 HG3 LYS C 13 5.942 0.134 10.376 1.00 0.00 H new ATOM 0 HD2 LYS C 13 6.801 2.494 10.544 1.00 0.00 H new ATOM 0 HD3 LYS C 13 6.121 2.621 12.154 1.00 0.00 H new ATOM 0 HE2 LYS C 13 8.225 0.570 11.290 1.00 0.00 H new ATOM 0 HE3 LYS C 13 8.552 2.015 12.226 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 8.287 0.377 13.837 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 6.750 1.098 13.812 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 7.006 -0.384 13.023 1.00 0.00 H new ATOM 841 N LEU C 14 1.734 1.538 8.617 1.00 0.00 N ATOM 842 CA LEU C 14 0.489 2.178 8.217 1.00 0.00 C ATOM 843 C LEU C 14 -0.672 1.194 8.305 1.00 0.00 C ATOM 844 O LEU C 14 -1.754 1.527 8.801 1.00 0.00 O ATOM 845 CB LEU C 14 0.635 2.687 6.772 1.00 0.00 C ATOM 846 CG LEU C 14 1.478 3.979 6.740 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.042 4.195 5.329 1.00 0.00 C ATOM 848 CD2 LEU C 14 0.600 5.192 7.092 1.00 0.00 C ATOM 0 H LEU C 14 2.443 1.487 7.885 1.00 0.00 H new ATOM 0 HA LEU C 14 0.281 3.012 8.887 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.107 1.922 6.156 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.350 2.877 6.345 1.00 0.00 H new ATOM 0 HG LEU C 14 2.287 3.880 7.463 1.00 0.00 H new ATOM 0 HD11 LEU C 14 2.637 5.108 5.311 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.670 3.348 5.055 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.220 4.283 4.618 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.205 6.099 7.067 1.00 0.00 H new ATOM 0 HD22 LEU C 14 -0.211 5.276 6.369 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.183 5.062 8.091 1.00 0.00 H new ATOM 860 N LEU C 15 -0.446 -0.025 7.839 1.00 0.00 N ATOM 861 CA LEU C 15 -1.491 -1.030 7.882 1.00 0.00 C ATOM 862 C LEU C 15 -1.860 -1.350 9.326 1.00 0.00 C ATOM 863 O LEU C 15 -3.036 -1.456 9.667 1.00 0.00 O ATOM 864 CB LEU C 15 -0.999 -2.295 7.177 1.00 0.00 C ATOM 865 CG LEU C 15 -0.857 -2.026 5.669 1.00 0.00 C ATOM 866 CD1 LEU C 15 -0.139 -3.207 5.010 1.00 0.00 C ATOM 867 CD2 LEU C 15 -2.241 -1.827 5.013 1.00 0.00 C ATOM 0 H LEU C 15 0.437 -0.337 7.434 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.378 -0.649 7.376 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -0.040 -2.605 7.593 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.699 -3.113 7.346 1.00 0.00 H new ATOM 0 HG LEU C 15 -0.277 -1.114 5.529 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -0.037 -3.020 3.941 1.00 0.00 H new ATOM 0 HD12 LEU C 15 0.849 -3.326 5.454 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -0.718 -4.117 5.165 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -2.115 -1.638 3.947 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.843 -2.725 5.154 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.744 -0.977 5.475 1.00 0.00 H new ATOM 879 N ASP C 16 -0.847 -1.479 10.175 1.00 0.00 N ATOM 880 CA ASP C 16 -1.083 -1.761 11.585 1.00 0.00 C ATOM 881 C ASP C 16 -1.774 -0.579 12.263 1.00 0.00 C ATOM 882 O ASP C 16 -2.682 -0.748 13.081 1.00 0.00 O ATOM 883 CB ASP C 16 0.244 -2.067 12.284 1.00 0.00 C ATOM 884 CG ASP C 16 0.766 -3.428 11.831 1.00 0.00 C ATOM 885 OD1 ASP C 16 0.006 -4.157 11.214 1.00 0.00 O ATOM 886 OD2 ASP C 16 1.916 -3.724 12.110 1.00 0.00 O ATOM 0 H ASP C 16 0.136 -1.394 9.915 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.736 -2.630 11.661 1.00 0.00 H new ATOM 0 HB2 ASP C 16 0.975 -1.292 12.053 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.106 -2.062 13.365 1.00 0.00 H new ATOM 891 N ASP C 17 -1.333 0.623 11.909 1.00 0.00 N ATOM 892 CA ASP C 17 -1.893 1.840 12.481 1.00 0.00 C ATOM 893 C ASP C 17 -3.306 2.061 11.968 1.00 0.00 C ATOM 894 O ASP C 17 -4.033 2.915 12.471 1.00 0.00 O ATOM 895 CB ASP C 17 -1.019 3.044 12.127 1.00 0.00 C ATOM 896 CG ASP C 17 0.304 2.969 12.881 1.00 0.00 C ATOM 897 OD1 ASP C 17 1.211 3.702 12.523 1.00 0.00 O ATOM 898 OD2 ASP C 17 0.392 2.176 13.805 1.00 0.00 O ATOM 0 H ASP C 17 -0.589 0.780 11.229 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.922 1.730 13.565 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -0.834 3.066 11.053 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -1.539 3.968 12.380 1.00 0.00 H new ATOM 903 N SER C 18 -3.684 1.293 10.955 1.00 0.00 N ATOM 904 CA SER C 18 -5.007 1.424 10.371 1.00 0.00 C ATOM 905 C SER C 18 -6.076 1.163 11.418 1.00 0.00 C ATOM 906 O SER C 18 -7.229 1.563 11.257 1.00 0.00 O ATOM 907 CB SER C 18 -5.170 0.434 9.220 1.00 0.00 C ATOM 908 OG SER C 18 -5.322 -0.879 9.744 1.00 0.00 O ATOM 0 H SER C 18 -3.097 0.579 10.525 1.00 0.00 H new ATOM 0 HA SER C 18 -5.119 2.441 9.994 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.039 0.700 8.618 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.301 0.477 8.563 1.00 0.00 H new ATOM 0 HG SER C 18 -4.570 -1.436 9.453 1.00 0.00 H new ATOM 914 N SER C 19 -5.688 0.493 12.490 1.00 0.00 N ATOM 915 CA SER C 19 -6.634 0.187 13.562 1.00 0.00 C ATOM 916 C SER C 19 -6.836 1.398 14.463 1.00 0.00 C ATOM 917 O SER C 19 -7.782 1.455 15.250 1.00 0.00 O ATOM 918 CB SER C 19 -6.120 -0.984 14.399 1.00 0.00 C ATOM 919 OG SER C 19 -4.971 -0.568 15.126 1.00 0.00 O ATOM 0 H SER C 19 -4.739 0.152 12.645 1.00 0.00 H new ATOM 0 HA SER C 19 -7.588 -0.080 13.107 1.00 0.00 H new ATOM 0 HB2 SER C 19 -6.896 -1.325 15.085 1.00 0.00 H new ATOM 0 HB3 SER C 19 -5.872 -1.827 13.754 1.00 0.00 H new ATOM 0 HG SER C 19 -4.188 -0.582 14.537 1.00 0.00 H new ATOM 925 N SER C 20 -5.947 2.366 14.327 1.00 0.00 N ATOM 926 CA SER C 20 -6.025 3.591 15.115 1.00 0.00 C ATOM 927 C SER C 20 -7.048 4.550 14.515 1.00 0.00 C ATOM 928 O SER C 20 -7.272 4.559 13.304 1.00 0.00 O ATOM 929 CB SER C 20 -4.655 4.270 15.185 1.00 0.00 C ATOM 930 OG SER C 20 -3.727 3.387 15.804 1.00 0.00 O ATOM 0 H SER C 20 -5.161 2.331 13.678 1.00 0.00 H new ATOM 0 HA SER C 20 -6.341 3.327 16.124 1.00 0.00 H new ATOM 0 HB2 SER C 20 -4.314 4.532 14.183 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.725 5.199 15.751 1.00 0.00 H new ATOM 0 HG SER C 20 -2.847 3.817 15.850 1.00 0.00 H new