USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 SER OG : rot -80:sc= 0.28 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.265 X(o=0.54,f=0.52) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= -6.29! C(o=-6.3!,f=-14!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 16 LYS NZ :NH3+ -136:sc= -0.0495 (180deg=-0.411) USER MOD Single : A 17 ASN :FLIP amide:sc= -3.63! C(o=-8!,f=-3.6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.826 (180deg=-1.8!) USER MOD Single : A 42 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.86) USER MOD Single : A 43 THR OG1 : rot 46:sc= -1.83 USER MOD Single : A 47 ASN : amide:sc= -5.21 K(o=-5.2,f=-7!) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.458 K(o=-0.46,f=-1.2) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.3!) USER MOD Single : A 56 ASN : amide:sc= -13.6! C(o=-14!,f=-15!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.257 F(o=-3.3!,f=-0.26) USER MOD Single : A 70 SER OG : rot 180:sc= -0.141 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -5.08! C(o=-6.6!,f=-5.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 134:sc= 1.27 (180deg=0.634) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.114) USER MOD Single : A 85 THR OG1 : rot -71:sc= -1.93 USER MOD Single : A 87 ASN :FLIP amide:sc= -2.95! C(o=-5.4!,f=-2.9!) USER MOD Single : A 89 TYR OH : rot 180:sc= -1.81! USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.328 USER MOD Single : A 98 SER OG : rot 71:sc= 1.19 USER MOD Single : A 99 SER OG : rot 99:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.246 -6.107 1.968 1.00 0.00 N ATOM 27 CA ASP A 3 14.165 -6.274 2.927 1.00 0.00 C ATOM 28 C ASP A 3 13.262 -5.044 2.938 1.00 0.00 C ATOM 29 O ASP A 3 13.652 -3.985 3.424 1.00 0.00 O ATOM 30 CB ASP A 3 14.735 -6.534 4.315 1.00 0.00 C ATOM 31 CG ASP A 3 16.027 -5.778 4.557 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.017 -4.533 4.452 1.00 0.00 O ATOM 33 OD2 ASP A 3 17.050 -6.431 4.850 1.00 0.00 O ATOM 0 HA ASP A 3 13.563 -7.133 2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.001 -6.245 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.913 -7.602 4.438 1.00 0.00 H new ATOM 38 N PRO A 4 12.040 -5.179 2.388 1.00 0.00 N ATOM 39 CA PRO A 4 11.060 -4.090 2.289 1.00 0.00 C ATOM 40 C PRO A 4 10.889 -3.215 3.550 1.00 0.00 C ATOM 41 O PRO A 4 10.189 -2.205 3.499 1.00 0.00 O ATOM 42 CB PRO A 4 9.744 -4.808 1.965 1.00 0.00 C ATOM 43 CG PRO A 4 10.044 -6.270 1.903 1.00 0.00 C ATOM 44 CD PRO A 4 11.523 -6.416 1.781 1.00 0.00 C ATOM 0 HA PRO A 4 11.396 -3.373 1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.994 -4.601 2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.338 -4.458 1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.681 -6.775 2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.541 -6.729 1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.884 -7.301 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.833 -6.513 0.740 1.00 0.00 H new ATOM 52 N LYS A 5 11.508 -3.585 4.672 1.00 0.00 N ATOM 53 CA LYS A 5 11.373 -2.803 5.915 1.00 0.00 C ATOM 54 C LYS A 5 12.213 -1.520 5.950 1.00 0.00 C ATOM 55 O LYS A 5 12.370 -0.927 7.018 1.00 0.00 O ATOM 56 CB LYS A 5 11.713 -3.650 7.139 1.00 0.00 C ATOM 57 CG LYS A 5 13.019 -4.420 7.022 1.00 0.00 C ATOM 58 CD LYS A 5 14.208 -3.561 7.419 1.00 0.00 C ATOM 59 CE LYS A 5 15.469 -4.393 7.578 1.00 0.00 C ATOM 60 NZ LYS A 5 16.587 -3.602 8.163 1.00 0.00 N ATOM 0 H LYS A 5 12.102 -4.410 4.752 1.00 0.00 H new ATOM 0 HA LYS A 5 10.326 -2.501 5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.764 -3.001 8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.902 -4.357 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.979 -5.305 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.147 -4.769 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.371 -2.792 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.990 -3.047 8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.259 -5.252 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.771 -4.784 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.429 -4.206 8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.805 -2.797 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.309 -3.250 9.101 1.00 0.00 H new ATOM 74 N HIS A 6 12.759 -1.082 4.819 1.00 0.00 N ATOM 75 CA HIS A 6 13.583 0.134 4.815 1.00 0.00 C ATOM 76 C HIS A 6 12.756 1.401 5.064 1.00 0.00 C ATOM 77 O HIS A 6 13.217 2.510 4.792 1.00 0.00 O ATOM 78 CB HIS A 6 14.382 0.276 3.519 1.00 0.00 C ATOM 79 CG HIS A 6 13.706 -0.276 2.317 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.556 -1.622 2.084 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.143 0.351 1.271 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.923 -1.797 0.941 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.660 -0.614 0.425 1.00 0.00 N ATOM 0 H HIS A 6 12.653 -1.535 3.911 1.00 0.00 H new ATOM 0 HA HIS A 6 14.284 0.023 5.643 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.592 1.332 3.350 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.343 -0.224 3.642 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.883 -2.368 2.698 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.082 1.419 1.123 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.664 -2.749 0.502 1.00 0.00 H new ATOM 92 N VAL A 7 11.538 1.221 5.579 1.00 0.00 N ATOM 93 CA VAL A 7 10.635 2.323 5.911 1.00 0.00 C ATOM 94 C VAL A 7 10.616 3.427 4.849 1.00 0.00 C ATOM 95 O VAL A 7 10.953 3.182 3.691 1.00 0.00 O ATOM 96 CB VAL A 7 10.964 2.891 7.300 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.967 1.754 8.314 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.298 3.626 7.302 1.00 0.00 C ATOM 0 H VAL A 7 11.149 0.300 5.778 1.00 0.00 H new ATOM 0 HA VAL A 7 9.627 1.908 5.931 1.00 0.00 H new ATOM 0 HB VAL A 7 10.201 3.620 7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.200 2.149 9.303 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.985 1.282 8.334 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.719 1.017 8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.498 4.014 8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.093 2.938 7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.259 4.453 6.592 1.00 0.00 H new ATOM 108 N CYS A 8 10.211 4.642 5.237 1.00 0.00 N ATOM 109 CA CYS A 8 10.103 5.733 4.268 1.00 0.00 C ATOM 110 C CYS A 8 10.139 7.134 4.852 1.00 0.00 C ATOM 111 O CYS A 8 10.027 7.358 6.058 1.00 0.00 O ATOM 112 CB CYS A 8 8.767 5.583 3.555 1.00 0.00 C ATOM 113 SG CYS A 8 8.233 7.011 2.533 1.00 0.00 S ATOM 0 H CYS A 8 9.958 4.889 6.194 1.00 0.00 H new ATOM 0 HA CYS A 8 10.976 5.645 3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.817 4.702 2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.998 5.390 4.303 1.00 0.00 H new ATOM 118 N VAL A 9 10.287 8.058 3.916 1.00 0.00 N ATOM 119 CA VAL A 9 10.265 9.482 4.140 1.00 0.00 C ATOM 120 C VAL A 9 9.973 10.104 2.781 1.00 0.00 C ATOM 121 O VAL A 9 10.863 10.221 1.942 1.00 0.00 O ATOM 122 CB VAL A 9 11.628 9.975 4.641 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.755 9.786 6.143 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.739 9.235 3.910 1.00 0.00 C ATOM 0 H VAL A 9 10.432 7.817 2.936 1.00 0.00 H new ATOM 0 HA VAL A 9 9.523 9.751 4.892 1.00 0.00 H new ATOM 0 HB VAL A 9 11.714 11.042 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.730 10.143 6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.971 10.351 6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.655 8.728 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.707 9.587 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.649 8.165 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.658 9.422 2.839 1.00 0.00 H new ATOM 134 N ASP A 10 8.729 10.502 2.560 1.00 0.00 N ATOM 135 CA ASP A 10 8.346 11.057 1.272 1.00 0.00 C ATOM 136 C ASP A 10 7.607 12.384 1.368 1.00 0.00 C ATOM 137 O ASP A 10 7.054 12.728 2.410 1.00 0.00 O ATOM 138 CB ASP A 10 7.493 10.036 0.526 1.00 0.00 C ATOM 139 CG ASP A 10 6.857 10.600 -0.730 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.568 10.743 -1.745 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.646 10.901 -0.695 1.00 0.00 O ATOM 0 H ASP A 10 7.976 10.452 3.247 1.00 0.00 H new ATOM 0 HA ASP A 10 9.268 11.268 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.112 9.179 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.710 9.670 1.190 1.00 0.00 H new ATOM 146 N THR A 11 7.599 13.103 0.244 1.00 0.00 N ATOM 147 CA THR A 11 6.881 14.365 0.103 1.00 0.00 C ATOM 148 C THR A 11 6.949 15.245 1.353 1.00 0.00 C ATOM 149 O THR A 11 7.759 15.021 2.254 1.00 0.00 O ATOM 150 CB THR A 11 5.406 14.074 -0.268 1.00 0.00 C ATOM 151 OG1 THR A 11 4.898 15.108 -1.118 1.00 0.00 O ATOM 152 CG2 THR A 11 4.531 13.959 0.960 1.00 0.00 C ATOM 0 H THR A 11 8.096 12.820 -0.600 1.00 0.00 H new ATOM 0 HA THR A 11 7.371 14.928 -0.691 1.00 0.00 H new ATOM 0 HB THR A 11 5.384 13.119 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.965 14.914 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.504 13.755 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.892 13.146 1.589 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.565 14.894 1.520 1.00 0.00 H new ATOM 160 N ARG A 12 6.116 16.278 1.372 1.00 0.00 N ATOM 161 CA ARG A 12 6.046 17.189 2.498 1.00 0.00 C ATOM 162 C ARG A 12 4.850 16.832 3.372 1.00 0.00 C ATOM 163 O ARG A 12 4.863 17.039 4.586 1.00 0.00 O ATOM 164 CB ARG A 12 5.929 18.625 2.004 1.00 0.00 C ATOM 165 CG ARG A 12 6.418 18.828 0.576 1.00 0.00 C ATOM 166 CD ARG A 12 7.897 18.495 0.436 1.00 0.00 C ATOM 167 NE ARG A 12 8.722 19.277 1.355 1.00 0.00 N ATOM 168 CZ ARG A 12 10.042 19.157 1.446 1.00 0.00 C ATOM 169 NH1 ARG A 12 10.688 18.288 0.681 1.00 0.00 N ATOM 170 NH2 ARG A 12 10.719 19.908 2.305 1.00 0.00 N ATOM 0 H ARG A 12 5.476 16.504 0.611 1.00 0.00 H new ATOM 0 HA ARG A 12 6.958 17.099 3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.887 18.937 2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.498 19.275 2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.838 18.200 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.248 19.862 0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.049 17.433 0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.216 18.684 -0.589 1.00 0.00 H new ATOM 0 HE ARG A 12 8.258 19.953 1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.172 17.708 0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.701 18.199 0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.226 20.578 2.896 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.732 19.816 2.375 1.00 0.00 H new ATOM 184 N ASP A 13 3.816 16.291 2.733 1.00 0.00 N ATOM 185 CA ASP A 13 2.603 15.883 3.435 1.00 0.00 C ATOM 186 C ASP A 13 1.812 14.833 2.643 1.00 0.00 C ATOM 187 O ASP A 13 0.865 15.169 1.932 1.00 0.00 O ATOM 188 CB ASP A 13 1.721 17.104 3.700 1.00 0.00 C ATOM 189 CG ASP A 13 0.498 16.766 4.531 1.00 0.00 C ATOM 190 OD1 ASP A 13 0.623 16.702 5.773 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.585 16.564 3.942 1.00 0.00 O ATOM 0 H ASP A 13 3.794 16.125 1.727 1.00 0.00 H new ATOM 0 HA ASP A 13 2.903 15.431 4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.306 17.867 4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.404 17.532 2.749 1.00 0.00 H new ATOM 196 N ILE A 14 2.212 13.562 2.765 1.00 0.00 N ATOM 197 CA ILE A 14 1.519 12.465 2.082 1.00 0.00 C ATOM 198 C ILE A 14 0.036 12.507 2.439 1.00 0.00 C ATOM 199 O ILE A 14 -0.318 12.872 3.560 1.00 0.00 O ATOM 200 CB ILE A 14 2.143 11.097 2.461 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.518 10.963 1.830 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.285 9.930 2.015 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.644 11.043 2.825 1.00 0.00 C ATOM 0 H ILE A 14 3.010 13.269 3.329 1.00 0.00 H new ATOM 0 HA ILE A 14 1.630 12.587 1.004 1.00 0.00 H new ATOM 0 HB ILE A 14 2.215 11.070 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.576 10.011 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.645 11.748 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.765 8.995 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.306 9.997 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.167 9.958 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.597 10.940 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.611 12.006 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.541 10.241 3.556 1.00 0.00 H new ATOM 215 N PRO A 15 -0.858 12.142 1.499 1.00 0.00 N ATOM 216 CA PRO A 15 -2.300 12.192 1.738 1.00 0.00 C ATOM 217 C PRO A 15 -2.702 11.499 3.033 1.00 0.00 C ATOM 218 O PRO A 15 -2.041 10.565 3.485 1.00 0.00 O ATOM 219 CB PRO A 15 -2.884 11.491 0.514 1.00 0.00 C ATOM 220 CG PRO A 15 -1.871 11.728 -0.545 1.00 0.00 C ATOM 221 CD PRO A 15 -0.554 11.612 0.156 1.00 0.00 C ATOM 0 HA PRO A 15 -2.665 13.212 1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.032 10.426 0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.854 11.906 0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.958 10.996 -1.347 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.994 12.712 -0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.206 10.580 0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.223 12.191 -0.342 1.00 0.00 H new ATOM 229 N LYS A 16 -3.783 11.980 3.627 1.00 0.00 N ATOM 230 CA LYS A 16 -4.285 11.471 4.878 1.00 0.00 C ATOM 231 C LYS A 16 -4.371 9.958 4.929 1.00 0.00 C ATOM 232 O LYS A 16 -3.598 9.307 5.635 1.00 0.00 O ATOM 233 CB LYS A 16 -5.650 12.087 5.143 1.00 0.00 C ATOM 234 CG LYS A 16 -6.306 12.724 3.930 1.00 0.00 C ATOM 235 CD LYS A 16 -7.775 13.010 4.185 1.00 0.00 C ATOM 236 CE LYS A 16 -8.400 13.783 3.036 1.00 0.00 C ATOM 237 NZ LYS A 16 -7.728 15.096 2.822 1.00 0.00 N ATOM 0 H LYS A 16 -4.338 12.745 3.243 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.573 11.752 5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.312 11.314 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.547 12.842 5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.791 13.651 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.206 12.062 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.310 12.071 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.881 13.580 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.339 13.190 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.458 13.945 3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.446 15.833 2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.157 15.334 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.112 15.038 1.986 1.00 0.00 H new ATOM 251 N ASN A 17 -5.307 9.403 4.187 1.00 0.00 N ATOM 252 CA ASN A 17 -5.507 7.973 4.163 1.00 0.00 C ATOM 253 C ASN A 17 -4.436 7.325 3.305 1.00 0.00 C ATOM 254 O ASN A 17 -4.633 6.254 2.732 1.00 0.00 O ATOM 255 CB ASN A 17 -6.905 7.655 3.630 1.00 0.00 C ATOM 256 CG ASN A 17 -8.008 8.331 4.427 1.00 0.00 C ATOM 257 OD1 ASN A 17 -7.827 9.610 4.738 1.00 0.00 O flip ATOM 258 ND2 ASN A 17 -9.024 7.712 4.744 1.00 0.00 N flip ATOM 0 H ASN A 17 -5.945 9.928 3.589 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.428 7.573 5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.972 7.969 2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.059 6.576 3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.124 6.730 4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.765 8.181 5.265 1.00 0.00 H new ATOM 265 N ALA A 18 -3.292 7.998 3.225 1.00 0.00 N ATOM 266 CA ALA A 18 -2.177 7.514 2.435 1.00 0.00 C ATOM 267 C ALA A 18 -0.921 7.346 3.262 1.00 0.00 C ATOM 268 O ALA A 18 -0.687 8.069 4.231 1.00 0.00 O ATOM 269 CB ALA A 18 -1.883 8.474 1.301 1.00 0.00 C ATOM 0 H ALA A 18 -3.118 8.883 3.701 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.467 6.539 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.044 8.099 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.761 8.562 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.632 9.453 1.709 1.00 0.00 H new ATOM 275 N GLY A 19 -0.125 6.378 2.859 1.00 0.00 N ATOM 276 CA GLY A 19 1.134 6.127 3.507 1.00 0.00 C ATOM 277 C GLY A 19 2.255 6.315 2.525 1.00 0.00 C ATOM 278 O GLY A 19 2.015 6.364 1.319 1.00 0.00 O ATOM 0 H GLY A 19 -0.334 5.752 2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.260 6.804 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.153 5.113 3.906 1.00 0.00 H new ATOM 282 N CYS A 20 3.474 6.421 3.009 1.00 0.00 N ATOM 283 CA CYS A 20 4.589 6.632 2.118 1.00 0.00 C ATOM 284 C CYS A 20 5.596 5.544 2.233 1.00 0.00 C ATOM 285 O CYS A 20 5.801 4.963 3.299 1.00 0.00 O ATOM 286 CB CYS A 20 5.277 7.955 2.419 1.00 0.00 C ATOM 287 SG CYS A 20 6.680 7.830 3.596 1.00 0.00 S ATOM 0 H CYS A 20 3.714 6.365 3.999 1.00 0.00 H new ATOM 0 HA CYS A 20 4.185 6.641 1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.640 8.383 1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.541 8.650 2.823 1.00 0.00 H new ATOM 292 N PHE A 21 6.219 5.267 1.118 1.00 0.00 N ATOM 293 CA PHE A 21 7.256 4.298 1.103 1.00 0.00 C ATOM 294 C PHE A 21 8.407 4.761 0.239 1.00 0.00 C ATOM 295 O PHE A 21 8.219 5.260 -0.868 1.00 0.00 O ATOM 296 CB PHE A 21 6.793 2.936 0.689 1.00 0.00 C ATOM 297 CG PHE A 21 7.848 1.950 1.041 1.00 0.00 C ATOM 298 CD1 PHE A 21 7.899 1.407 2.315 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.821 1.612 0.131 1.00 0.00 C ATOM 300 CE1 PHE A 21 8.901 0.531 2.666 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.829 0.745 0.476 1.00 0.00 C ATOM 302 CZ PHE A 21 9.871 0.200 1.745 1.00 0.00 C ATOM 0 H PHE A 21 6.020 5.702 0.217 1.00 0.00 H new ATOM 0 HA PHE A 21 7.599 4.201 2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.858 2.685 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.596 2.913 -0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.145 1.674 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.793 2.032 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.927 0.105 3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.590 0.489 -0.246 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.662 -0.484 2.014 1.00 0.00 H new ATOM 312 N ARG A 22 9.601 4.579 0.765 1.00 0.00 N ATOM 313 CA ARG A 22 10.814 4.989 0.088 1.00 0.00 C ATOM 314 C ARG A 22 11.770 3.810 -0.002 1.00 0.00 C ATOM 315 O ARG A 22 12.262 3.325 1.015 1.00 0.00 O ATOM 316 CB ARG A 22 11.446 6.153 0.852 1.00 0.00 C ATOM 317 CG ARG A 22 12.843 6.505 0.390 1.00 0.00 C ATOM 318 CD ARG A 22 13.724 6.922 1.547 1.00 0.00 C ATOM 319 NE ARG A 22 15.116 6.609 1.278 1.00 0.00 N ATOM 320 CZ ARG A 22 16.136 7.075 1.993 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.915 7.882 3.022 1.00 0.00 N ATOM 322 NH2 ARG A 22 17.378 6.733 1.679 1.00 0.00 N ATOM 0 H ARG A 22 9.758 4.143 1.674 1.00 0.00 H new ATOM 0 HA ARG A 22 10.586 5.321 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.808 7.031 0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.477 5.904 1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.287 5.647 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.793 7.313 -0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.616 7.992 1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.402 6.414 2.456 1.00 0.00 H new ATOM 0 HE ARG A 22 15.325 5.993 0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.961 8.147 3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.699 8.238 3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.552 6.112 0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.160 7.091 2.228 1.00 0.00 H new ATOM 336 N ASP A 23 12.036 3.355 -1.222 1.00 0.00 N ATOM 337 CA ASP A 23 12.911 2.205 -1.417 1.00 0.00 C ATOM 338 C ASP A 23 14.369 2.548 -1.132 1.00 0.00 C ATOM 339 O ASP A 23 14.721 3.716 -0.959 1.00 0.00 O ATOM 340 CB ASP A 23 12.755 1.614 -2.820 1.00 0.00 C ATOM 341 CG ASP A 23 13.122 2.586 -3.922 1.00 0.00 C ATOM 342 OD1 ASP A 23 14.135 3.300 -3.775 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.394 2.630 -4.936 1.00 0.00 O ATOM 0 H ASP A 23 11.663 3.759 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 23 12.604 1.447 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.381 0.726 -2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.723 1.291 -2.958 1.00 0.00 H new ATOM 348 N ASP A 24 15.212 1.520 -1.081 1.00 0.00 N ATOM 349 CA ASP A 24 16.635 1.698 -0.800 1.00 0.00 C ATOM 350 C ASP A 24 17.297 2.651 -1.794 1.00 0.00 C ATOM 351 O ASP A 24 18.252 3.350 -1.453 1.00 0.00 O ATOM 352 CB ASP A 24 17.347 0.349 -0.827 1.00 0.00 C ATOM 353 CG ASP A 24 18.819 0.464 -0.482 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.149 0.432 0.721 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.640 0.583 -1.416 1.00 0.00 O ATOM 0 H ASP A 24 14.933 0.550 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 24 16.720 2.139 0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.864 -0.328 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.242 -0.094 -1.817 1.00 0.00 H new ATOM 360 N ASP A 25 16.782 2.682 -3.019 1.00 0.00 N ATOM 361 CA ASP A 25 17.333 3.543 -4.062 1.00 0.00 C ATOM 362 C ASP A 25 17.073 5.021 -3.774 1.00 0.00 C ATOM 363 O ASP A 25 17.352 5.880 -4.610 1.00 0.00 O ATOM 364 CB ASP A 25 16.740 3.168 -5.420 1.00 0.00 C ATOM 365 CG ASP A 25 17.059 1.739 -5.818 1.00 0.00 C ATOM 366 OD1 ASP A 25 16.332 0.824 -5.376 1.00 0.00 O ATOM 367 OD2 ASP A 25 18.035 1.535 -6.568 1.00 0.00 O ATOM 0 H ASP A 25 15.983 2.121 -3.315 1.00 0.00 H new ATOM 0 HA ASP A 25 18.412 3.390 -4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.659 3.301 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 25 17.123 3.848 -6.181 1.00 0.00 H new ATOM 372 N GLY A 26 16.538 5.313 -2.591 1.00 0.00 N ATOM 373 CA GLY A 26 16.253 6.689 -2.228 1.00 0.00 C ATOM 374 C GLY A 26 14.937 7.166 -2.807 1.00 0.00 C ATOM 375 O GLY A 26 14.400 8.194 -2.394 1.00 0.00 O ATOM 0 H GLY A 26 16.298 4.623 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.226 6.780 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.059 7.332 -2.581 1.00 0.00 H new ATOM 379 N THR A 27 14.426 6.411 -3.772 1.00 0.00 N ATOM 380 CA THR A 27 13.163 6.729 -4.423 1.00 0.00 C ATOM 381 C THR A 27 12.044 6.845 -3.396 1.00 0.00 C ATOM 382 O THR A 27 12.029 6.118 -2.406 1.00 0.00 O ATOM 383 CB THR A 27 12.802 5.641 -5.446 1.00 0.00 C ATOM 384 OG1 THR A 27 13.686 5.711 -6.570 1.00 0.00 O ATOM 385 CG2 THR A 27 11.359 5.768 -5.916 1.00 0.00 C ATOM 0 H THR A 27 14.874 5.565 -4.123 1.00 0.00 H new ATOM 0 HA THR A 27 13.278 7.685 -4.935 1.00 0.00 H new ATOM 0 HB THR A 27 12.911 4.675 -4.954 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.450 5.013 -7.216 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.141 4.981 -6.638 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.688 5.672 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.213 6.741 -6.384 1.00 0.00 H new ATOM 393 N GLU A 28 11.104 7.752 -3.640 1.00 0.00 N ATOM 394 CA GLU A 28 9.992 7.955 -2.720 1.00 0.00 C ATOM 395 C GLU A 28 8.653 7.964 -3.448 1.00 0.00 C ATOM 396 O GLU A 28 8.465 8.683 -4.429 1.00 0.00 O ATOM 397 CB GLU A 28 10.191 9.254 -1.945 1.00 0.00 C ATOM 398 CG GLU A 28 11.386 9.212 -1.007 1.00 0.00 C ATOM 399 CD GLU A 28 11.877 10.594 -0.625 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.034 11.502 -0.466 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.105 10.769 -0.482 1.00 0.00 O ATOM 0 H GLU A 28 11.090 8.355 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 28 9.975 7.119 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.319 10.075 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.291 9.467 -1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.115 8.664 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.197 8.661 -1.483 1.00 0.00 H new ATOM 408 N GLU A 29 7.731 7.151 -2.946 1.00 0.00 N ATOM 409 CA GLU A 29 6.401 7.028 -3.525 1.00 0.00 C ATOM 410 C GLU A 29 5.372 6.714 -2.454 1.00 0.00 C ATOM 411 O GLU A 29 5.582 5.830 -1.626 1.00 0.00 O ATOM 412 CB GLU A 29 6.385 5.914 -4.572 1.00 0.00 C ATOM 413 CG GLU A 29 5.001 5.335 -4.845 1.00 0.00 C ATOM 414 CD GLU A 29 4.999 4.354 -6.000 1.00 0.00 C ATOM 415 OE1 GLU A 29 5.251 3.155 -5.760 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.747 4.786 -7.145 1.00 0.00 O ATOM 0 H GLU A 29 7.885 6.561 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 29 6.149 7.980 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.795 6.301 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.044 5.111 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.636 4.835 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.307 6.147 -5.061 1.00 0.00 H new ATOM 423 N TRP A 30 4.260 7.431 -2.475 1.00 0.00 N ATOM 424 CA TRP A 30 3.203 7.178 -1.516 1.00 0.00 C ATOM 425 C TRP A 30 2.034 6.490 -2.205 1.00 0.00 C ATOM 426 O TRP A 30 1.863 6.592 -3.421 1.00 0.00 O ATOM 427 CB TRP A 30 2.757 8.465 -0.817 1.00 0.00 C ATOM 428 CG TRP A 30 2.203 9.510 -1.733 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.811 10.671 -2.116 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.919 9.501 -2.362 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.983 11.383 -2.951 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.815 10.684 -3.117 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.150 8.603 -2.362 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.321 10.989 -3.862 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.275 8.909 -3.103 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.352 10.096 -3.843 1.00 0.00 C ATOM 0 H TRP A 30 4.069 8.183 -3.137 1.00 0.00 H new ATOM 0 HA TRP A 30 3.592 6.516 -0.742 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.001 8.215 -0.072 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.607 8.885 -0.280 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.798 10.984 -1.808 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.202 12.284 -3.377 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.098 7.686 -1.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.384 11.902 -4.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.108 8.222 -3.112 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.246 10.308 -4.410 1.00 0.00 H new ATOM 447 N ARG A 31 1.241 5.785 -1.419 1.00 0.00 N ATOM 448 CA ARG A 31 0.094 5.044 -1.927 1.00 0.00 C ATOM 449 C ARG A 31 -1.098 5.200 -0.999 1.00 0.00 C ATOM 450 O ARG A 31 -1.027 5.910 0.002 1.00 0.00 O ATOM 451 CB ARG A 31 0.429 3.567 -2.111 1.00 0.00 C ATOM 452 CG ARG A 31 1.448 3.309 -3.207 1.00 0.00 C ATOM 453 CD ARG A 31 1.437 1.854 -3.651 1.00 0.00 C ATOM 454 NE ARG A 31 2.591 1.530 -4.485 1.00 0.00 N ATOM 455 CZ ARG A 31 2.540 0.717 -5.536 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.393 0.150 -5.886 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.638 0.469 -6.238 1.00 0.00 N ATOM 0 H ARG A 31 1.371 5.708 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.164 5.458 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.810 3.169 -1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.486 3.021 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.235 3.952 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.443 3.573 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.430 1.207 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.520 1.650 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 31 3.489 1.952 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.547 0.337 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.357 -0.473 -6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.522 0.902 -5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.598 -0.155 -7.044 1.00 0.00 H new ATOM 471 N CYS A 32 -2.187 4.523 -1.331 1.00 0.00 N ATOM 472 CA CYS A 32 -3.396 4.597 -0.526 1.00 0.00 C ATOM 473 C CYS A 32 -3.581 3.264 0.167 1.00 0.00 C ATOM 474 O CYS A 32 -3.621 2.211 -0.471 1.00 0.00 O ATOM 475 CB CYS A 32 -4.621 4.884 -1.409 1.00 0.00 C ATOM 476 SG CYS A 32 -4.465 6.375 -2.436 1.00 0.00 S ATOM 0 H CYS A 32 -2.258 3.918 -2.149 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.301 5.404 0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.796 4.026 -2.058 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.499 4.986 -0.771 1.00 0.00 H new ATOM 481 N LEU A 33 -3.688 3.332 1.490 1.00 0.00 N ATOM 482 CA LEU A 33 -3.809 2.155 2.319 1.00 0.00 C ATOM 483 C LEU A 33 -4.837 1.185 1.774 1.00 0.00 C ATOM 484 O LEU A 33 -5.815 1.572 1.137 1.00 0.00 O ATOM 485 CB LEU A 33 -4.157 2.564 3.743 1.00 0.00 C ATOM 486 CG LEU A 33 -3.104 3.390 4.503 1.00 0.00 C ATOM 487 CD1 LEU A 33 -2.273 2.497 5.409 1.00 0.00 C ATOM 488 CD2 LEU A 33 -2.189 4.172 3.573 1.00 0.00 C ATOM 0 H LEU A 33 -3.692 4.209 2.011 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.849 1.639 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.084 3.137 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.359 1.660 4.317 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.654 4.113 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.535 3.101 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.924 2.006 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.763 1.743 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.467 4.736 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.661 3.481 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.783 4.861 2.972 1.00 0.00 H new ATOM 500 N LEU A 34 -4.584 -0.078 2.039 1.00 0.00 N ATOM 501 CA LEU A 34 -5.431 -1.161 1.592 1.00 0.00 C ATOM 502 C LEU A 34 -6.887 -0.950 1.958 1.00 0.00 C ATOM 503 O LEU A 34 -7.232 -0.719 3.116 1.00 0.00 O ATOM 504 CB LEU A 34 -4.905 -2.464 2.171 1.00 0.00 C ATOM 505 CG LEU A 34 -3.425 -2.700 1.892 1.00 0.00 C ATOM 506 CD1 LEU A 34 -2.979 -4.044 2.438 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.158 -2.593 0.400 1.00 0.00 C ATOM 0 H LEU A 34 -3.774 -0.385 2.578 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.398 -1.197 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.068 -2.465 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.481 -3.293 1.760 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.843 -1.933 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.920 -4.189 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.141 -4.071 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.556 -4.839 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.099 -2.763 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.748 -3.341 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.436 -1.598 0.051 1.00 0.00 H new ATOM 519 N GLY A 35 -7.733 -1.038 0.941 1.00 0.00 N ATOM 520 CA GLY A 35 -9.153 -0.858 1.132 1.00 0.00 C ATOM 521 C GLY A 35 -9.590 0.562 0.848 1.00 0.00 C ATOM 522 O GLY A 35 -10.781 0.872 0.882 1.00 0.00 O ATOM 0 H GLY A 35 -7.455 -1.233 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.696 -1.541 0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.417 -1.120 2.157 1.00 0.00 H new ATOM 526 N TYR A 36 -8.621 1.428 0.565 1.00 0.00 N ATOM 527 CA TYR A 36 -8.906 2.828 0.284 1.00 0.00 C ATOM 528 C TYR A 36 -8.887 3.107 -1.207 1.00 0.00 C ATOM 529 O TYR A 36 -8.773 2.193 -2.025 1.00 0.00 O ATOM 530 CB TYR A 36 -7.905 3.729 0.995 1.00 0.00 C ATOM 531 CG TYR A 36 -7.940 3.621 2.505 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.837 2.784 3.160 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.065 4.356 3.275 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.855 2.690 4.535 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.073 4.269 4.653 1.00 0.00 C ATOM 536 CZ TYR A 36 -7.971 3.434 5.279 1.00 0.00 C ATOM 537 OH TYR A 36 -7.983 3.343 6.651 1.00 0.00 O ATOM 0 H TYR A 36 -7.632 1.183 0.525 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.907 3.043 0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.901 3.485 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.098 4.764 0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.533 2.196 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.358 5.014 2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.560 2.035 5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.378 4.853 5.237 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.295 3.933 7.024 1.00 0.00 H new ATOM 547 N LYS A 37 -8.998 4.381 -1.552 1.00 0.00 N ATOM 548 CA LYS A 37 -9.023 4.794 -2.941 1.00 0.00 C ATOM 549 C LYS A 37 -8.364 6.152 -3.120 1.00 0.00 C ATOM 550 O LYS A 37 -7.911 6.769 -2.157 1.00 0.00 O ATOM 551 CB LYS A 37 -10.471 4.869 -3.410 1.00 0.00 C ATOM 552 CG LYS A 37 -11.303 5.856 -2.611 1.00 0.00 C ATOM 553 CD LYS A 37 -12.761 5.825 -3.024 1.00 0.00 C ATOM 554 CE LYS A 37 -13.523 6.998 -2.431 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.925 7.059 -2.928 1.00 0.00 N ATOM 0 H LYS A 37 -9.072 5.148 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.469 4.065 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.492 5.153 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.922 3.879 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.221 5.625 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.907 6.862 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.835 5.852 -4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.215 4.890 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.527 6.916 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.009 7.927 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.410 7.873 -2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.922 7.163 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.423 6.184 -2.669 1.00 0.00 H new ATOM 569 N LYS A 38 -8.315 6.609 -4.363 1.00 0.00 N ATOM 570 CA LYS A 38 -7.730 7.901 -4.679 1.00 0.00 C ATOM 571 C LYS A 38 -8.830 8.939 -4.846 1.00 0.00 C ATOM 572 O LYS A 38 -9.789 8.730 -5.590 1.00 0.00 O ATOM 573 CB LYS A 38 -6.883 7.806 -5.945 1.00 0.00 C ATOM 574 CG LYS A 38 -5.857 8.914 -6.062 1.00 0.00 C ATOM 575 CD LYS A 38 -4.685 8.677 -5.128 1.00 0.00 C ATOM 576 CE LYS A 38 -3.595 7.871 -5.809 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.987 6.447 -5.994 1.00 0.00 N ATOM 0 H LYS A 38 -8.675 6.101 -5.171 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.081 8.207 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.372 6.843 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.538 7.833 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.500 8.975 -7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.323 9.871 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.281 9.634 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.027 8.151 -4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.369 8.314 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.682 7.922 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.135 5.868 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.494 6.114 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.607 6.363 -6.825 1.00 0.00 H new ATOM 591 N GLY A 39 -8.681 10.061 -4.152 1.00 0.00 N ATOM 592 CA GLY A 39 -9.688 11.100 -4.208 1.00 0.00 C ATOM 593 C GLY A 39 -9.364 12.215 -5.183 1.00 0.00 C ATOM 594 O GLY A 39 -9.314 11.999 -6.393 1.00 0.00 O ATOM 0 H GLY A 39 -7.882 10.268 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.643 10.653 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.813 11.526 -3.212 1.00 0.00 H new ATOM 598 N GLU A 40 -9.154 13.414 -4.645 1.00 0.00 N ATOM 599 CA GLU A 40 -8.853 14.592 -5.459 1.00 0.00 C ATOM 600 C GLU A 40 -7.440 14.542 -6.045 1.00 0.00 C ATOM 601 O GLU A 40 -6.570 15.330 -5.676 1.00 0.00 O ATOM 602 CB GLU A 40 -9.023 15.861 -4.623 1.00 0.00 C ATOM 603 CG GLU A 40 -8.154 15.885 -3.376 1.00 0.00 C ATOM 604 CD GLU A 40 -8.249 17.195 -2.620 1.00 0.00 C ATOM 605 OE1 GLU A 40 -7.458 18.115 -2.922 1.00 0.00 O ATOM 606 OE2 GLU A 40 -9.114 17.304 -1.726 1.00 0.00 O ATOM 0 H GLU A 40 -9.187 13.597 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.555 14.601 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.784 16.728 -5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.068 15.956 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.449 15.068 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.116 15.708 -3.658 1.00 0.00 H new ATOM 613 N GLY A 41 -7.217 13.620 -6.971 1.00 0.00 N ATOM 614 CA GLY A 41 -5.914 13.506 -7.593 1.00 0.00 C ATOM 615 C GLY A 41 -4.892 12.827 -6.703 1.00 0.00 C ATOM 616 O GLY A 41 -4.879 11.604 -6.581 1.00 0.00 O ATOM 0 H GLY A 41 -7.913 12.951 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.009 12.945 -8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.555 14.501 -7.857 1.00 0.00 H new ATOM 620 N ASN A 42 -4.029 13.626 -6.086 1.00 0.00 N ATOM 621 CA ASN A 42 -2.993 13.100 -5.205 1.00 0.00 C ATOM 622 C ASN A 42 -3.495 13.009 -3.768 1.00 0.00 C ATOM 623 O ASN A 42 -2.945 13.637 -2.864 1.00 0.00 O ATOM 624 CB ASN A 42 -1.743 13.981 -5.277 1.00 0.00 C ATOM 625 CG ASN A 42 -2.059 15.452 -5.092 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.363 16.159 -6.053 1.00 0.00 O ATOM 627 ND2 ASN A 42 -1.983 15.924 -3.853 1.00 0.00 N ATOM 0 H ASN A 42 -4.026 14.642 -6.180 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.737 12.095 -5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.035 13.665 -4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.255 13.836 -6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.180 16.908 -3.669 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.727 15.303 -3.085 1.00 0.00 H new ATOM 634 N THR A 43 -4.543 12.218 -3.566 1.00 0.00 N ATOM 635 CA THR A 43 -5.122 12.041 -2.241 1.00 0.00 C ATOM 636 C THR A 43 -5.672 10.644 -2.051 1.00 0.00 C ATOM 637 O THR A 43 -6.097 9.995 -3.002 1.00 0.00 O ATOM 638 CB THR A 43 -6.258 13.035 -1.980 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.072 13.160 -3.150 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.703 14.390 -1.584 1.00 0.00 C ATOM 0 H THR A 43 -5.008 11.689 -4.304 1.00 0.00 H new ATOM 0 HA THR A 43 -4.309 12.216 -1.536 1.00 0.00 H new ATOM 0 HB THR A 43 -6.867 12.660 -1.158 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.263 12.270 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.526 15.081 -1.403 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.108 14.288 -0.676 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.075 14.775 -2.388 1.00 0.00 H new ATOM 648 N CYS A 44 -5.663 10.189 -0.810 1.00 0.00 N ATOM 649 CA CYS A 44 -6.183 8.878 -0.479 1.00 0.00 C ATOM 650 C CYS A 44 -7.306 9.007 0.531 1.00 0.00 C ATOM 651 O CYS A 44 -7.232 9.807 1.464 1.00 0.00 O ATOM 652 CB CYS A 44 -5.072 7.977 0.046 1.00 0.00 C ATOM 653 SG CYS A 44 -3.721 7.737 -1.149 1.00 0.00 S ATOM 0 H CYS A 44 -5.299 10.712 -0.014 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.584 8.418 -1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.666 8.407 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.493 7.007 0.309 1.00 0.00 H new ATOM 658 N VAL A 45 -8.347 8.220 0.331 1.00 0.00 N ATOM 659 CA VAL A 45 -9.512 8.253 1.198 1.00 0.00 C ATOM 660 C VAL A 45 -10.116 6.873 1.370 1.00 0.00 C ATOM 661 O VAL A 45 -9.939 5.995 0.528 1.00 0.00 O ATOM 662 CB VAL A 45 -10.583 9.187 0.621 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.119 10.635 0.688 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.903 8.792 -0.815 1.00 0.00 C ATOM 0 H VAL A 45 -8.410 7.545 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.179 8.619 2.169 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.490 9.092 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.891 11.284 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.932 10.909 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.201 10.750 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.664 9.461 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.001 8.865 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.273 7.767 -0.837 1.00 0.00 H new ATOM 674 N GLU A 46 -10.837 6.695 2.464 1.00 0.00 N ATOM 675 CA GLU A 46 -11.475 5.424 2.747 1.00 0.00 C ATOM 676 C GLU A 46 -12.556 5.124 1.719 1.00 0.00 C ATOM 677 O GLU A 46 -13.592 5.788 1.675 1.00 0.00 O ATOM 678 CB GLU A 46 -12.073 5.435 4.151 1.00 0.00 C ATOM 679 CG GLU A 46 -11.101 4.996 5.233 1.00 0.00 C ATOM 680 CD GLU A 46 -11.557 5.389 6.624 1.00 0.00 C ATOM 681 OE1 GLU A 46 -11.219 6.509 7.064 1.00 0.00 O ATOM 682 OE2 GLU A 46 -12.249 4.578 7.274 1.00 0.00 O ATOM 0 H GLU A 46 -10.994 7.415 3.169 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.719 4.641 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.425 6.441 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.944 4.780 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.978 3.914 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.123 5.436 5.038 1.00 0.00 H new ATOM 689 N ASN A 47 -12.306 4.117 0.894 1.00 0.00 N ATOM 690 CA ASN A 47 -13.245 3.721 -0.146 1.00 0.00 C ATOM 691 C ASN A 47 -14.417 2.933 0.438 1.00 0.00 C ATOM 692 O ASN A 47 -15.563 3.112 0.027 1.00 0.00 O ATOM 693 CB ASN A 47 -12.505 2.909 -1.216 1.00 0.00 C ATOM 694 CG ASN A 47 -13.422 2.139 -2.146 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.616 2.420 -2.252 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.846 1.178 -2.858 1.00 0.00 N ATOM 0 H ASN A 47 -11.455 3.556 0.926 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.662 4.616 -0.607 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.887 3.584 -1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.830 2.208 -0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.397 0.638 -3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.853 0.979 -2.737 1.00 0.00 H new ATOM 703 N ASN A 48 -14.121 2.066 1.406 1.00 0.00 N ATOM 704 CA ASN A 48 -15.147 1.249 2.053 1.00 0.00 C ATOM 705 C ASN A 48 -15.879 0.369 1.045 1.00 0.00 C ATOM 706 O ASN A 48 -16.875 -0.274 1.371 1.00 0.00 O ATOM 707 CB ASN A 48 -16.136 2.133 2.811 1.00 0.00 C ATOM 708 CG ASN A 48 -15.651 2.464 4.208 1.00 0.00 C ATOM 709 OD1 ASN A 48 -14.333 2.480 4.389 1.00 0.00 O flip ATOM 710 ND2 ASN A 48 -16.448 2.698 5.116 1.00 0.00 N flip ATOM 0 H ASN A 48 -13.177 1.911 1.760 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.648 0.592 2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.296 3.057 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.100 1.627 2.873 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.451 2.675 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.105 2.915 6.052 1.00 0.00 H new ATOM 717 N ASN A 49 -15.375 0.360 -0.182 1.00 0.00 N ATOM 718 CA ASN A 49 -15.936 -0.455 -1.252 1.00 0.00 C ATOM 719 C ASN A 49 -14.811 -0.954 -2.168 1.00 0.00 C ATOM 720 O ASN A 49 -14.958 -0.978 -3.391 1.00 0.00 O ATOM 721 CB ASN A 49 -16.947 0.359 -2.056 1.00 0.00 C ATOM 722 CG ASN A 49 -17.686 -0.476 -3.083 1.00 0.00 C ATOM 723 OD1 ASN A 49 -17.910 -1.670 -2.885 1.00 0.00 O ATOM 724 ND2 ASN A 49 -18.068 0.150 -4.192 1.00 0.00 N ATOM 0 H ASN A 49 -14.568 0.916 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.447 -1.314 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.668 0.811 -1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.431 1.175 -2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.568 -0.361 -4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.861 1.141 -4.315 1.00 0.00 H new ATOM 731 N PRO A 50 -13.663 -1.357 -1.580 1.00 0.00 N ATOM 732 CA PRO A 50 -12.505 -1.830 -2.340 1.00 0.00 C ATOM 733 C PRO A 50 -12.749 -3.134 -3.086 1.00 0.00 C ATOM 734 O PRO A 50 -13.277 -4.099 -2.534 1.00 0.00 O ATOM 735 CB PRO A 50 -11.425 -2.029 -1.283 1.00 0.00 C ATOM 736 CG PRO A 50 -12.154 -2.180 -0.001 1.00 0.00 C ATOM 737 CD PRO A 50 -13.403 -1.371 -0.132 1.00 0.00 C ATOM 0 HA PRO A 50 -12.243 -1.114 -3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.822 -2.911 -1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.745 -1.178 -1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.387 -3.227 0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.549 -1.828 0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.230 -1.820 0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.269 -0.363 0.260 1.00 0.00 H new ATOM 745 N THR A 51 -12.352 -3.138 -4.350 1.00 0.00 N ATOM 746 CA THR A 51 -12.488 -4.302 -5.212 1.00 0.00 C ATOM 747 C THR A 51 -11.125 -4.724 -5.732 1.00 0.00 C ATOM 748 O THR A 51 -10.246 -3.880 -5.906 1.00 0.00 O ATOM 749 CB THR A 51 -13.389 -3.998 -6.421 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.652 -5.202 -7.150 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.735 -2.972 -7.345 1.00 0.00 C ATOM 0 H THR A 51 -11.926 -2.332 -4.807 1.00 0.00 H new ATOM 0 HA THR A 51 -12.937 -5.099 -4.619 1.00 0.00 H new ATOM 0 HB THR A 51 -14.327 -3.584 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.228 -5.001 -7.917 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.392 -2.774 -8.192 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.562 -2.046 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.784 -3.362 -7.707 1.00 0.00 H new ATOM 759 N CYS A 52 -10.927 -6.014 -5.981 1.00 0.00 N ATOM 760 CA CYS A 52 -9.653 -6.438 -6.527 1.00 0.00 C ATOM 761 C CYS A 52 -9.755 -6.318 -8.036 1.00 0.00 C ATOM 762 O CYS A 52 -10.674 -6.862 -8.646 1.00 0.00 O ATOM 763 CB CYS A 52 -9.325 -7.877 -6.121 1.00 0.00 C ATOM 764 SG CYS A 52 -7.596 -8.369 -6.445 1.00 0.00 S ATOM 0 H CYS A 52 -11.607 -6.757 -5.819 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.848 -5.813 -6.139 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.533 -7.999 -5.058 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.990 -8.555 -6.656 1.00 0.00 H new ATOM 769 N ASP A 53 -8.765 -5.647 -8.606 1.00 0.00 N ATOM 770 CA ASP A 53 -8.682 -5.350 -10.037 1.00 0.00 C ATOM 771 C ASP A 53 -7.922 -4.046 -10.172 1.00 0.00 C ATOM 772 O ASP A 53 -7.051 -3.895 -11.029 1.00 0.00 O ATOM 773 CB ASP A 53 -10.062 -5.178 -10.693 1.00 0.00 C ATOM 774 CG ASP A 53 -10.130 -5.808 -12.071 1.00 0.00 C ATOM 775 OD1 ASP A 53 -10.428 -7.018 -12.155 1.00 0.00 O ATOM 776 OD2 ASP A 53 -9.887 -5.092 -13.064 1.00 0.00 O ATOM 0 H ASP A 53 -7.974 -5.282 -8.076 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.191 -6.184 -10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.823 -5.625 -10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.295 -4.116 -10.770 1.00 0.00 H new ATOM 781 N ILE A 54 -8.280 -3.096 -9.301 1.00 0.00 N ATOM 782 CA ILE A 54 -7.627 -1.801 -9.268 1.00 0.00 C ATOM 783 C ILE A 54 -6.186 -1.996 -8.860 1.00 0.00 C ATOM 784 O ILE A 54 -5.864 -1.903 -7.673 1.00 0.00 O ATOM 785 CB ILE A 54 -8.278 -0.857 -8.247 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.762 -0.647 -8.569 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.513 0.459 -8.218 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.518 0.095 -7.487 1.00 0.00 C ATOM 0 H ILE A 54 -9.022 -3.209 -8.611 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.714 -1.358 -10.260 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.230 -1.305 -7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.847 -0.094 -9.505 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.232 -1.618 -8.728 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.973 1.131 -7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.478 0.272 -7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.540 0.917 -9.207 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.561 0.207 -7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.464 -0.467 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.074 1.080 -7.343 1.00 0.00 H new ATOM 800 N ASN A 55 -5.326 -2.266 -9.836 1.00 0.00 N ATOM 801 CA ASN A 55 -3.919 -2.522 -9.564 1.00 0.00 C ATOM 802 C ASN A 55 -3.763 -3.926 -9.003 1.00 0.00 C ATOM 803 O ASN A 55 -2.888 -4.690 -9.411 1.00 0.00 O ATOM 804 CB ASN A 55 -3.365 -1.499 -8.573 1.00 0.00 C ATOM 805 CG ASN A 55 -1.855 -1.519 -8.527 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.197 -1.785 -9.532 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.294 -1.243 -7.362 1.00 0.00 N ATOM 0 H ASN A 55 -5.580 -2.313 -10.823 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.358 -2.434 -10.494 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.706 -0.502 -8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.761 -1.705 -7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.278 -1.245 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.877 -1.028 -6.553 1.00 0.00 H new ATOM 814 N ASN A 56 -4.664 -4.232 -8.077 1.00 0.00 N ATOM 815 CA ASN A 56 -4.744 -5.501 -7.366 1.00 0.00 C ATOM 816 C ASN A 56 -5.386 -5.252 -6.009 1.00 0.00 C ATOM 817 O ASN A 56 -4.837 -5.625 -4.978 1.00 0.00 O ATOM 818 CB ASN A 56 -3.385 -6.133 -7.150 1.00 0.00 C ATOM 819 CG ASN A 56 -2.424 -5.146 -6.610 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.794 -4.029 -6.256 1.00 0.00 O ATOM 821 ND2 ASN A 56 -1.187 -5.547 -6.545 1.00 0.00 N ATOM 0 H ASN A 56 -5.389 -3.575 -7.790 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.334 -6.187 -7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.475 -6.973 -6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.011 -6.532 -8.093 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.466 -4.921 -6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.939 -6.487 -6.854 1.00 0.00 H new ATOM 828 N GLY A 57 -6.524 -4.574 -6.008 1.00 0.00 N ATOM 829 CA GLY A 57 -7.208 -4.292 -4.765 1.00 0.00 C ATOM 830 C GLY A 57 -6.508 -3.228 -3.939 1.00 0.00 C ATOM 831 O GLY A 57 -6.937 -2.920 -2.826 1.00 0.00 O ATOM 0 H GLY A 57 -6.985 -4.215 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.226 -3.967 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.283 -5.209 -4.180 1.00 0.00 H new ATOM 835 N GLY A 58 -5.437 -2.651 -4.482 1.00 0.00 N ATOM 836 CA GLY A 58 -4.698 -1.638 -3.753 1.00 0.00 C ATOM 837 C GLY A 58 -3.416 -2.199 -3.164 1.00 0.00 C ATOM 838 O GLY A 58 -2.813 -1.609 -2.269 1.00 0.00 O ATOM 0 H GLY A 58 -5.071 -2.867 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.461 -0.809 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.321 -1.236 -2.954 1.00 0.00 H new ATOM 842 N CYS A 59 -3.003 -3.333 -3.709 1.00 0.00 N ATOM 843 CA CYS A 59 -1.804 -4.047 -3.291 1.00 0.00 C ATOM 844 C CYS A 59 -0.724 -3.878 -4.345 1.00 0.00 C ATOM 845 O CYS A 59 -0.880 -3.111 -5.294 1.00 0.00 O ATOM 846 CB CYS A 59 -2.094 -5.543 -3.105 1.00 0.00 C ATOM 847 SG CYS A 59 -3.748 -5.940 -2.445 1.00 0.00 S ATOM 0 H CYS A 59 -3.502 -3.793 -4.470 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.471 -3.634 -2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.975 -6.042 -4.067 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.343 -5.961 -2.434 1.00 0.00 H new ATOM 852 N ASP A 60 0.392 -4.546 -4.145 1.00 0.00 N ATOM 853 CA ASP A 60 1.477 -4.494 -5.102 1.00 0.00 C ATOM 854 C ASP A 60 1.441 -5.769 -5.926 1.00 0.00 C ATOM 855 O ASP A 60 1.000 -6.807 -5.441 1.00 0.00 O ATOM 856 CB ASP A 60 2.801 -4.377 -4.366 1.00 0.00 C ATOM 857 CG ASP A 60 3.896 -3.742 -5.200 1.00 0.00 C ATOM 858 OD1 ASP A 60 3.898 -2.501 -5.332 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.752 -4.488 -5.722 1.00 0.00 O ATOM 0 H ASP A 60 0.572 -5.131 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 60 1.370 -3.628 -5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.655 -3.787 -3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.123 -5.370 -4.051 1.00 0.00 H new ATOM 864 N PRO A 61 1.846 -5.698 -7.199 1.00 0.00 N ATOM 865 CA PRO A 61 1.814 -6.850 -8.088 1.00 0.00 C ATOM 866 C PRO A 61 2.419 -8.086 -7.442 1.00 0.00 C ATOM 867 O PRO A 61 2.109 -9.215 -7.822 1.00 0.00 O ATOM 868 CB PRO A 61 2.638 -6.397 -9.292 1.00 0.00 C ATOM 869 CG PRO A 61 2.540 -4.914 -9.295 1.00 0.00 C ATOM 870 CD PRO A 61 2.372 -4.495 -7.862 1.00 0.00 C ATOM 0 HA PRO A 61 0.797 -7.141 -8.350 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.674 -6.723 -9.205 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.248 -6.819 -10.218 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.435 -4.467 -9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.695 -4.582 -9.898 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.319 -4.180 -7.425 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.683 -3.655 -7.770 1.00 0.00 H new ATOM 878 N THR A 62 3.286 -7.864 -6.461 1.00 0.00 N ATOM 879 CA THR A 62 3.914 -8.956 -5.739 1.00 0.00 C ATOM 880 C THR A 62 2.994 -9.407 -4.615 1.00 0.00 C ATOM 881 O THR A 62 2.962 -10.579 -4.247 1.00 0.00 O ATOM 882 CB THR A 62 5.277 -8.541 -5.154 1.00 0.00 C ATOM 883 OG1 THR A 62 5.086 -7.649 -4.050 1.00 0.00 O ATOM 884 CG2 THR A 62 6.131 -7.862 -6.216 1.00 0.00 C ATOM 0 H THR A 62 3.568 -6.935 -6.149 1.00 0.00 H new ATOM 0 HA THR A 62 4.086 -9.773 -6.440 1.00 0.00 H new ATOM 0 HB THR A 62 5.791 -9.439 -4.810 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.957 -7.391 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.090 -7.576 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.297 -8.551 -7.044 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.618 -6.972 -6.581 1.00 0.00 H new ATOM 892 N ALA A 63 2.241 -8.451 -4.082 1.00 0.00 N ATOM 893 CA ALA A 63 1.290 -8.715 -3.013 1.00 0.00 C ATOM 894 C ALA A 63 0.020 -9.352 -3.569 1.00 0.00 C ATOM 895 O ALA A 63 -0.864 -8.656 -4.069 1.00 0.00 O ATOM 896 CB ALA A 63 0.949 -7.427 -2.273 1.00 0.00 C ATOM 0 H ALA A 63 2.274 -7.476 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 63 1.750 -9.411 -2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.237 -7.643 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.857 -7.003 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.510 -6.713 -2.969 1.00 0.00 H new ATOM 902 N SER A 64 -0.060 -10.678 -3.487 1.00 0.00 N ATOM 903 CA SER A 64 -1.220 -11.415 -3.980 1.00 0.00 C ATOM 904 C SER A 64 -2.518 -10.788 -3.473 1.00 0.00 C ATOM 905 O SER A 64 -2.787 -10.787 -2.271 1.00 0.00 O ATOM 906 CB SER A 64 -1.136 -12.877 -3.539 1.00 0.00 C ATOM 907 OG SER A 64 -2.136 -13.659 -4.168 1.00 0.00 O ATOM 0 H SER A 64 0.668 -11.266 -3.082 1.00 0.00 H new ATOM 0 HA SER A 64 -1.220 -11.369 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.151 -13.277 -3.782 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.248 -12.940 -2.457 1.00 0.00 H new ATOM 0 HG SER A 64 -2.988 -13.538 -3.700 1.00 0.00 H new ATOM 913 N CYS A 65 -3.321 -10.254 -4.394 1.00 0.00 N ATOM 914 CA CYS A 65 -4.582 -9.615 -4.028 1.00 0.00 C ATOM 915 C CYS A 65 -5.743 -10.600 -4.028 1.00 0.00 C ATOM 916 O CYS A 65 -5.796 -11.526 -4.837 1.00 0.00 O ATOM 917 CB CYS A 65 -4.915 -8.465 -4.979 1.00 0.00 C ATOM 918 SG CYS A 65 -6.606 -7.810 -4.757 1.00 0.00 S ATOM 0 H CYS A 65 -3.121 -10.252 -5.394 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.447 -9.230 -3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.198 -7.658 -4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.798 -8.807 -6.007 1.00 0.00 H new ATOM 923 N GLN A 66 -6.670 -10.381 -3.102 1.00 0.00 N ATOM 924 CA GLN A 66 -7.861 -11.213 -2.975 1.00 0.00 C ATOM 925 C GLN A 66 -9.030 -10.361 -2.501 1.00 0.00 C ATOM 926 O GLN A 66 -8.901 -9.608 -1.538 1.00 0.00 O ATOM 927 CB GLN A 66 -7.637 -12.361 -1.985 1.00 0.00 C ATOM 928 CG GLN A 66 -6.184 -12.586 -1.617 1.00 0.00 C ATOM 929 CD GLN A 66 -5.604 -13.838 -2.245 1.00 0.00 C ATOM 930 OE1 GLN A 66 -5.055 -13.796 -3.346 1.00 0.00 O ATOM 931 NE2 GLN A 66 -5.725 -14.960 -1.547 1.00 0.00 N ATOM 0 H GLN A 66 -6.618 -9.624 -2.420 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.080 -11.641 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.204 -12.159 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.039 -13.279 -2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.597 -11.723 -1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.095 -12.655 -0.533 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.188 -14.948 -0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.355 -15.835 -1.919 1.00 0.00 H new ATOM 940 N ASN A 67 -10.167 -10.466 -3.177 1.00 0.00 N ATOM 941 CA ASN A 67 -11.337 -9.691 -2.787 1.00 0.00 C ATOM 942 C ASN A 67 -12.094 -10.369 -1.670 1.00 0.00 C ATOM 943 O ASN A 67 -12.210 -11.593 -1.625 1.00 0.00 O ATOM 944 CB ASN A 67 -12.267 -9.439 -3.963 1.00 0.00 C ATOM 945 CG ASN A 67 -12.286 -10.583 -4.955 1.00 0.00 C ATOM 946 OD1 ASN A 67 -11.335 -10.581 -5.878 1.00 0.00 O flip ATOM 947 ND2 ASN A 67 -13.142 -11.465 -4.887 1.00 0.00 N flip ATOM 0 H ASN A 67 -10.303 -11.071 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.971 -8.728 -2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.278 -9.271 -3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.959 -8.527 -4.474 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.856 -11.427 -4.160 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.137 -12.233 -5.558 1.00 0.00 H new ATOM 954 N ALA A 68 -12.606 -9.553 -0.771 1.00 0.00 N ATOM 955 CA ALA A 68 -13.344 -10.054 0.373 1.00 0.00 C ATOM 956 C ALA A 68 -14.169 -8.957 1.031 1.00 0.00 C ATOM 957 O ALA A 68 -13.915 -7.770 0.833 1.00 0.00 O ATOM 958 CB ALA A 68 -12.373 -10.654 1.368 1.00 0.00 C ATOM 0 H ALA A 68 -12.525 -8.537 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.039 -10.820 0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.923 -11.032 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.829 -11.473 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.668 -9.890 1.694 1.00 0.00 H new ATOM 964 N GLU A 69 -15.165 -9.366 1.810 1.00 0.00 N ATOM 965 CA GLU A 69 -16.024 -8.425 2.511 1.00 0.00 C ATOM 966 C GLU A 69 -15.941 -8.651 4.015 1.00 0.00 C ATOM 967 O GLU A 69 -16.207 -9.749 4.504 1.00 0.00 O ATOM 968 CB GLU A 69 -17.472 -8.561 2.040 1.00 0.00 C ATOM 969 CG GLU A 69 -17.652 -8.324 0.551 1.00 0.00 C ATOM 970 CD GLU A 69 -19.093 -8.481 0.106 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.841 -7.482 0.155 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.474 -9.603 -0.289 1.00 0.00 O ATOM 0 H GLU A 69 -15.396 -10.346 1.971 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.679 -7.416 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.833 -9.559 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -18.092 -7.853 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.306 -7.321 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.026 -9.024 -0.003 1.00 0.00 H new ATOM 979 N SER A 70 -15.571 -7.606 4.741 1.00 0.00 N ATOM 980 CA SER A 70 -15.441 -7.691 6.190 1.00 0.00 C ATOM 981 C SER A 70 -15.904 -6.403 6.857 1.00 0.00 C ATOM 982 O SER A 70 -16.138 -5.396 6.188 1.00 0.00 O ATOM 983 CB SER A 70 -13.989 -7.980 6.575 1.00 0.00 C ATOM 984 OG SER A 70 -13.863 -8.200 7.970 1.00 0.00 O ATOM 0 H SER A 70 -15.355 -6.689 4.351 1.00 0.00 H new ATOM 0 HA SER A 70 -16.075 -8.507 6.537 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.633 -8.856 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.358 -7.143 6.278 1.00 0.00 H new ATOM 0 HG SER A 70 -12.926 -8.384 8.189 1.00 0.00 H new ATOM 990 N THR A 71 -16.036 -6.444 8.177 1.00 0.00 N ATOM 991 CA THR A 71 -16.460 -5.279 8.937 1.00 0.00 C ATOM 992 C THR A 71 -15.517 -4.107 8.693 1.00 0.00 C ATOM 993 O THR A 71 -15.909 -2.945 8.805 1.00 0.00 O ATOM 994 CB THR A 71 -16.507 -5.585 10.443 1.00 0.00 C ATOM 995 OG1 THR A 71 -16.678 -4.374 11.188 1.00 0.00 O ATOM 996 CG2 THR A 71 -15.235 -6.291 10.888 1.00 0.00 C ATOM 0 H THR A 71 -15.855 -7.273 8.742 1.00 0.00 H new ATOM 0 HA THR A 71 -17.462 -5.016 8.599 1.00 0.00 H new ATOM 0 HB THR A 71 -17.355 -6.244 10.632 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.708 -4.580 12.146 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.289 -6.498 11.957 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.129 -7.228 10.341 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.375 -5.653 10.685 1.00 0.00 H new ATOM 1004 N GLU A 72 -14.271 -4.423 8.353 1.00 0.00 N ATOM 1005 CA GLU A 72 -13.270 -3.400 8.085 1.00 0.00 C ATOM 1006 C GLU A 72 -12.977 -3.302 6.595 1.00 0.00 C ATOM 1007 O GLU A 72 -12.873 -4.313 5.901 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.975 -3.696 8.833 1.00 0.00 C ATOM 1009 CG GLU A 72 -12.181 -4.151 10.267 1.00 0.00 C ATOM 1010 CD GLU A 72 -10.900 -4.122 11.079 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -10.563 -3.047 11.617 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -10.236 -5.175 11.178 1.00 0.00 O ATOM 0 H GLU A 72 -13.932 -5.380 8.257 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.675 -2.450 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.424 -4.466 8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.354 -2.800 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.923 -3.511 10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.585 -5.164 10.268 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.845 -2.073 6.116 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.555 -1.815 4.712 1.00 0.00 C ATOM 1021 C ASN A 73 -11.205 -2.398 4.327 1.00 0.00 C ATOM 1022 O ASN A 73 -11.005 -2.827 3.190 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.547 -0.310 4.455 1.00 0.00 C ATOM 1024 CG ASN A 73 -11.187 0.286 4.702 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -10.352 0.265 3.676 1.00 0.00 O flip ATOM 1026 ND2 ASN A 73 -10.888 0.743 5.804 1.00 0.00 N flip ATOM 0 H ASN A 73 -12.935 -1.231 6.685 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.329 -2.289 4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.850 -0.114 3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.280 0.174 5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.571 0.735 6.562 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.957 1.130 5.960 1.00 0.00 H new ATOM 1033 N SER A 74 -10.276 -2.401 5.276 1.00 0.00 N ATOM 1034 CA SER A 74 -8.942 -2.919 5.020 1.00 0.00 C ATOM 1035 C SER A 74 -8.940 -4.440 5.053 1.00 0.00 C ATOM 1036 O SER A 74 -8.108 -5.084 4.413 1.00 0.00 O ATOM 1037 CB SER A 74 -7.944 -2.364 6.037 1.00 0.00 C ATOM 1038 OG SER A 74 -6.649 -2.898 5.823 1.00 0.00 O ATOM 0 H SER A 74 -10.423 -2.052 6.223 1.00 0.00 H new ATOM 0 HA SER A 74 -8.638 -2.595 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.910 -1.277 5.962 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.277 -2.603 7.047 1.00 0.00 H new ATOM 0 HG SER A 74 -6.029 -2.527 6.485 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.876 -5.010 5.803 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.995 -6.457 5.904 1.00 0.00 C ATOM 1046 C LYS A 75 -10.717 -7.005 4.681 1.00 0.00 C ATOM 1047 O LYS A 75 -11.035 -8.193 4.611 1.00 0.00 O ATOM 1048 CB LYS A 75 -10.743 -6.845 7.180 1.00 0.00 C ATOM 1049 CG LYS A 75 -9.940 -6.621 8.444 1.00 0.00 C ATOM 1050 CD LYS A 75 -9.021 -7.798 8.722 1.00 0.00 C ATOM 1051 CE LYS A 75 -9.805 -9.034 9.133 1.00 0.00 C ATOM 1052 NZ LYS A 75 -8.911 -10.192 9.414 1.00 0.00 N ATOM 0 H LYS A 75 -10.563 -4.491 6.350 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.995 -6.889 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.667 -6.269 7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.026 -7.896 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.350 -5.710 8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.615 -6.476 9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.432 -8.019 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.318 -7.533 9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.398 -8.810 10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.505 -9.300 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.485 -11.014 9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.364 -10.423 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.260 -9.948 10.187 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.972 -6.122 3.720 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.654 -6.500 2.494 1.00 0.00 C ATOM 1068 C LYS A 76 -10.664 -6.997 1.456 1.00 0.00 C ATOM 1069 O LYS A 76 -10.813 -8.088 0.911 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.431 -5.326 1.937 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.526 -4.849 2.863 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.425 -3.851 2.167 1.00 0.00 C ATOM 1073 CE LYS A 76 -15.283 -3.082 3.145 1.00 0.00 C ATOM 1074 NZ LYS A 76 -16.583 -2.673 2.547 1.00 0.00 N ATOM 0 H LYS A 76 -10.714 -5.136 3.771 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.347 -7.307 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.744 -4.503 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.870 -5.609 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.116 -5.700 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.085 -4.392 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.815 -3.153 1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.065 -4.374 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.467 -3.696 4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.744 -2.196 3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.353 -2.883 3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.567 -1.653 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.738 -3.197 1.662 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.659 -6.179 1.175 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.632 -6.546 0.213 1.00 0.00 C ATOM 1090 C ILE A 77 -7.463 -7.191 0.922 1.00 0.00 C ATOM 1091 O ILE A 77 -6.808 -6.573 1.762 1.00 0.00 O ATOM 1092 CB ILE A 77 -8.123 -5.333 -0.588 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.274 -4.666 -1.333 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -7.028 -5.745 -1.564 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -10.064 -5.614 -2.206 1.00 0.00 C ATOM 0 H ILE A 77 -9.534 -5.260 1.599 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.087 -7.248 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.699 -4.616 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.947 -4.208 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.877 -3.862 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.686 -4.870 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.192 -6.175 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.422 -6.484 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.865 -5.068 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.405 -6.054 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.492 -6.405 -1.590 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.210 -8.435 0.578 1.00 0.00 N ATOM 1108 CA ILE A 78 -6.130 -9.181 1.184 1.00 0.00 C ATOM 1109 C ILE A 78 -4.853 -9.062 0.365 1.00 0.00 C ATOM 1110 O ILE A 78 -4.709 -9.690 -0.683 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.492 -10.667 1.335 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.798 -10.835 2.116 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.361 -11.406 2.022 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -9.034 -10.494 1.311 1.00 0.00 C ATOM 0 H ILE A 78 -7.741 -8.953 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.965 -8.752 2.172 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.640 -11.091 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.874 -11.865 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.766 -10.201 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.624 -12.459 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.453 -11.316 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.192 -10.975 3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.921 -10.636 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.981 -9.455 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.091 -11.145 0.439 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.929 -8.250 0.858 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.652 -8.051 0.199 1.00 0.00 C ATOM 1128 C CYS A 79 -1.573 -8.838 0.930 1.00 0.00 C ATOM 1129 O CYS A 79 -1.299 -8.594 2.105 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.307 -6.565 0.175 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.644 -5.509 -0.467 1.00 0.00 S ATOM 0 H CYS A 79 -4.044 -7.716 1.719 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.713 -8.409 -0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.057 -6.244 1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.416 -6.418 -0.436 1.00 0.00 H new ATOM 1136 N THR A 80 -0.968 -9.781 0.226 1.00 0.00 N ATOM 1137 CA THR A 80 0.064 -10.627 0.810 1.00 0.00 C ATOM 1138 C THR A 80 1.317 -10.640 -0.050 1.00 0.00 C ATOM 1139 O THR A 80 1.289 -11.084 -1.197 1.00 0.00 O ATOM 1140 CB THR A 80 -0.443 -12.074 0.991 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.285 -12.158 2.147 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.715 -13.055 1.127 1.00 0.00 C ATOM 0 H THR A 80 -1.173 -9.981 -0.753 1.00 0.00 H new ATOM 0 HA THR A 80 0.308 -10.208 1.786 1.00 0.00 H new ATOM 0 HB THR A 80 -1.014 -12.342 0.102 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.604 -13.079 2.253 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.324 -14.065 1.253 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.333 -13.015 0.230 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.318 -12.788 1.995 1.00 0.00 H new ATOM 1150 N CYS A 81 2.422 -10.177 0.520 1.00 0.00 N ATOM 1151 CA CYS A 81 3.684 -10.146 -0.197 1.00 0.00 C ATOM 1152 C CYS A 81 4.349 -11.523 -0.107 1.00 0.00 C ATOM 1153 O CYS A 81 4.251 -12.202 0.916 1.00 0.00 O ATOM 1154 CB CYS A 81 4.583 -9.043 0.370 1.00 0.00 C ATOM 1155 SG CYS A 81 3.687 -7.525 0.856 1.00 0.00 S ATOM 0 H CYS A 81 2.467 -9.819 1.474 1.00 0.00 H new ATOM 0 HA CYS A 81 3.511 -9.918 -1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.114 -9.433 1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.336 -8.785 -0.374 1.00 0.00 H new ATOM 1160 N LYS A 82 5.020 -11.927 -1.181 1.00 0.00 N ATOM 1161 CA LYS A 82 5.642 -13.251 -1.264 1.00 0.00 C ATOM 1162 C LYS A 82 6.857 -13.440 -0.350 1.00 0.00 C ATOM 1163 O LYS A 82 7.223 -12.562 0.427 1.00 0.00 O ATOM 1164 CB LYS A 82 6.010 -13.560 -2.717 1.00 0.00 C ATOM 1165 CG LYS A 82 4.846 -14.099 -3.546 1.00 0.00 C ATOM 1166 CD LYS A 82 3.552 -13.345 -3.275 1.00 0.00 C ATOM 1167 CE LYS A 82 2.498 -13.642 -4.327 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.269 -15.105 -4.488 1.00 0.00 N ATOM 0 H LYS A 82 5.149 -11.353 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 82 4.897 -13.959 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.389 -12.653 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.821 -14.288 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.092 -14.027 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.702 -15.156 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.171 -13.618 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.753 -12.274 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.562 -13.157 -4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.808 -13.216 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.432 -15.262 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.101 -15.539 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.114 -15.537 -3.555 1.00 0.00 H new ATOM 1182 N GLU A 83 7.464 -14.621 -0.472 1.00 0.00 N ATOM 1183 CA GLU A 83 8.620 -15.029 0.334 1.00 0.00 C ATOM 1184 C GLU A 83 9.835 -14.090 0.251 1.00 0.00 C ATOM 1185 O GLU A 83 10.469 -13.830 1.275 1.00 0.00 O ATOM 1186 CB GLU A 83 9.051 -16.440 -0.071 1.00 0.00 C ATOM 1187 CG GLU A 83 7.937 -17.464 0.013 1.00 0.00 C ATOM 1188 CD GLU A 83 8.406 -18.866 -0.322 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.875 -19.570 0.596 1.00 0.00 O ATOM 1190 OE2 GLU A 83 8.304 -19.259 -1.503 1.00 0.00 O ATOM 0 H GLU A 83 7.165 -15.331 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 83 8.281 -14.989 1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.433 -16.415 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.874 -16.757 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.517 -17.456 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.136 -17.180 -0.669 1.00 0.00 H new ATOM 1197 N PRO A 84 10.190 -13.552 -0.935 1.00 0.00 N ATOM 1198 CA PRO A 84 11.364 -12.688 -1.059 1.00 0.00 C ATOM 1199 C PRO A 84 11.109 -11.321 -0.468 1.00 0.00 C ATOM 1200 O PRO A 84 11.935 -10.414 -0.565 1.00 0.00 O ATOM 1201 CB PRO A 84 11.581 -12.592 -2.562 1.00 0.00 C ATOM 1202 CG PRO A 84 10.231 -12.790 -3.158 1.00 0.00 C ATOM 1203 CD PRO A 84 9.464 -13.676 -2.210 1.00 0.00 C ATOM 0 HA PRO A 84 12.229 -13.082 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.997 -11.624 -2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.281 -13.352 -2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.723 -11.835 -3.291 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.307 -13.251 -4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.428 -13.352 -2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.443 -14.709 -2.558 1.00 0.00 H new ATOM 1211 N THR A 85 9.950 -11.194 0.147 1.00 0.00 N ATOM 1212 CA THR A 85 9.543 -9.954 0.770 1.00 0.00 C ATOM 1213 C THR A 85 9.274 -10.168 2.262 1.00 0.00 C ATOM 1214 O THR A 85 8.124 -10.202 2.702 1.00 0.00 O ATOM 1215 CB THR A 85 8.288 -9.403 0.071 1.00 0.00 C ATOM 1216 OG1 THR A 85 7.122 -10.054 0.574 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.374 -9.630 -1.433 1.00 0.00 C ATOM 0 H THR A 85 9.266 -11.947 0.228 1.00 0.00 H new ATOM 0 HA THR A 85 10.350 -9.228 0.668 1.00 0.00 H new ATOM 0 HB THR A 85 8.227 -8.333 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.098 -10.978 0.250 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.479 -9.235 -1.912 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.253 -9.120 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.453 -10.698 -1.636 1.00 0.00 H new ATOM 1225 N PRO A 86 10.343 -10.318 3.068 1.00 0.00 N ATOM 1226 CA PRO A 86 10.219 -10.541 4.512 1.00 0.00 C ATOM 1227 C PRO A 86 9.447 -9.419 5.188 1.00 0.00 C ATOM 1228 O PRO A 86 9.050 -9.527 6.349 1.00 0.00 O ATOM 1229 CB PRO A 86 11.672 -10.556 4.996 1.00 0.00 C ATOM 1230 CG PRO A 86 12.469 -10.906 3.795 1.00 0.00 C ATOM 1231 CD PRO A 86 11.754 -10.260 2.648 1.00 0.00 C ATOM 0 HA PRO A 86 9.673 -11.455 4.745 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.965 -9.586 5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.816 -11.286 5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.491 -10.538 3.880 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.529 -11.986 3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.087 -9.234 2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.920 -10.797 1.714 1.00 0.00 H new ATOM 1239 N ASN A 87 9.242 -8.343 4.444 1.00 0.00 N ATOM 1240 CA ASN A 87 8.528 -7.185 4.943 1.00 0.00 C ATOM 1241 C ASN A 87 7.472 -6.743 3.937 1.00 0.00 C ATOM 1242 O ASN A 87 7.127 -7.487 3.019 1.00 0.00 O ATOM 1243 CB ASN A 87 9.522 -6.060 5.197 1.00 0.00 C ATOM 1244 CG ASN A 87 10.763 -6.550 5.907 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.784 -6.859 5.122 1.00 0.00 O flip ATOM 1246 ND2 ASN A 87 10.805 -6.642 7.133 1.00 0.00 N flip ATOM 0 H ASN A 87 9.566 -8.251 3.481 1.00 0.00 H new ATOM 0 HA ASN A 87 8.024 -7.441 5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.804 -5.604 4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.045 -5.283 5.795 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.989 -6.391 7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.656 -6.969 7.591 1.00 0.00 H new ATOM 1253 N ALA A 88 6.963 -5.532 4.114 1.00 0.00 N ATOM 1254 CA ALA A 88 5.947 -4.997 3.221 1.00 0.00 C ATOM 1255 C ALA A 88 5.798 -3.498 3.404 1.00 0.00 C ATOM 1256 O ALA A 88 5.695 -3.010 4.529 1.00 0.00 O ATOM 1257 CB ALA A 88 4.621 -5.686 3.480 1.00 0.00 C ATOM 0 H ALA A 88 7.237 -4.902 4.868 1.00 0.00 H new ATOM 0 HA ALA A 88 6.258 -5.185 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.864 -5.282 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.727 -6.757 3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.318 -5.516 4.513 1.00 0.00 H new ATOM 1263 N TYR A 89 5.789 -2.765 2.296 1.00 0.00 N ATOM 1264 CA TYR A 89 5.623 -1.324 2.358 1.00 0.00 C ATOM 1265 C TYR A 89 4.248 -1.040 2.961 1.00 0.00 C ATOM 1266 O TYR A 89 3.221 -1.158 2.291 1.00 0.00 O ATOM 1267 CB TYR A 89 5.745 -0.680 0.959 1.00 0.00 C ATOM 1268 CG TYR A 89 6.934 -1.117 0.112 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.903 -1.994 0.576 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.086 -0.613 -1.174 1.00 0.00 C ATOM 1271 CE1 TYR A 89 8.973 -2.348 -0.216 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.149 -0.966 -1.971 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.092 -1.832 -1.490 1.00 0.00 C ATOM 1274 OH TYR A 89 10.161 -2.179 -2.282 1.00 0.00 O ATOM 0 H TYR A 89 5.894 -3.143 1.355 1.00 0.00 H new ATOM 0 HA TYR A 89 6.410 -0.890 2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.832 -0.895 0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.794 0.402 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.818 -2.405 1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.348 0.076 -1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.720 -3.031 0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.239 -0.563 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 89 10.087 -1.726 -3.148 1.00 0.00 H new ATOM 1284 N TYR A 90 4.256 -0.668 4.238 1.00 0.00 N ATOM 1285 CA TYR A 90 3.040 -0.400 5.002 1.00 0.00 C ATOM 1286 C TYR A 90 2.274 -1.698 5.288 1.00 0.00 C ATOM 1287 O TYR A 90 2.867 -2.681 5.735 1.00 0.00 O ATOM 1288 CB TYR A 90 2.137 0.644 4.324 1.00 0.00 C ATOM 1289 CG TYR A 90 1.630 1.672 5.312 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.924 1.280 6.443 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.876 3.025 5.134 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.473 2.208 7.362 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.433 3.958 6.048 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.731 3.546 7.160 1.00 0.00 C ATOM 1295 OH TYR A 90 0.288 4.475 8.073 1.00 0.00 O ATOM 0 H TYR A 90 5.113 -0.543 4.777 1.00 0.00 H new ATOM 0 HA TYR A 90 3.351 0.030 5.954 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.692 1.145 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.291 0.143 3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.724 0.231 6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.424 3.354 4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.078 1.886 8.233 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.635 5.007 5.893 1.00 0.00 H new ATOM 0 HH TYR A 90 0.554 5.372 7.782 1.00 0.00 H new ATOM 1305 N GLU A 91 0.966 -1.709 5.033 1.00 0.00 N ATOM 1306 CA GLU A 91 0.145 -2.897 5.299 1.00 0.00 C ATOM 1307 C GLU A 91 0.165 -3.878 4.131 1.00 0.00 C ATOM 1308 O GLU A 91 -0.576 -4.861 4.131 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.307 -2.503 5.592 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.494 -1.042 5.956 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.852 -0.764 6.571 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.832 -0.622 5.810 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -2.935 -0.688 7.815 1.00 0.00 O ATOM 0 H GLU A 91 0.452 -0.917 4.646 1.00 0.00 H new ATOM 0 HA GLU A 91 0.578 -3.386 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.916 -2.729 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.681 -3.120 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.714 -0.743 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.372 -0.430 5.062 1.00 0.00 H new ATOM 1320 N GLY A 92 1.011 -3.618 3.145 1.00 0.00 N ATOM 1321 CA GLY A 92 1.082 -4.490 1.990 1.00 0.00 C ATOM 1322 C GLY A 92 0.745 -3.751 0.717 1.00 0.00 C ATOM 1323 O GLY A 92 0.858 -4.306 -0.377 1.00 0.00 O ATOM 0 H GLY A 92 1.648 -2.822 3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.084 -4.912 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.394 -5.325 2.120 1.00 0.00 H new ATOM 1327 N VAL A 93 0.315 -2.494 0.863 1.00 0.00 N ATOM 1328 CA VAL A 93 -0.023 -1.661 -0.276 1.00 0.00 C ATOM 1329 C VAL A 93 1.067 -1.788 -1.332 1.00 0.00 C ATOM 1330 O VAL A 93 0.814 -1.708 -2.533 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.196 -0.185 0.156 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.717 0.641 -0.994 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.121 -0.074 1.363 1.00 0.00 C ATOM 0 H VAL A 93 0.195 -2.037 1.767 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.971 -1.997 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 93 0.781 0.203 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.833 1.677 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.012 0.594 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.682 0.250 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.226 0.973 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.100 -0.481 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.700 -0.635 2.197 1.00 0.00 H new ATOM 1343 N PHE A 94 2.283 -1.988 -0.845 1.00 0.00 N ATOM 1344 CA PHE A 94 3.443 -2.200 -1.687 1.00 0.00 C ATOM 1345 C PHE A 94 4.471 -3.051 -0.931 1.00 0.00 C ATOM 1346 O PHE A 94 4.438 -3.099 0.292 1.00 0.00 O ATOM 1347 CB PHE A 94 4.079 -0.894 -2.236 1.00 0.00 C ATOM 1348 CG PHE A 94 3.832 0.445 -1.535 1.00 0.00 C ATOM 1349 CD1 PHE A 94 2.982 0.611 -0.445 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.488 1.571 -2.018 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.797 1.856 0.134 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.307 2.812 -1.441 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.461 2.956 -0.365 1.00 0.00 C ATOM 0 H PHE A 94 2.490 -2.007 0.154 1.00 0.00 H new ATOM 0 HA PHE A 94 3.099 -2.732 -2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.158 -1.048 -2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.746 -0.783 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.458 -0.244 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.154 1.473 -2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.132 1.965 0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.830 3.671 -1.834 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.318 3.927 0.086 1.00 0.00 H new ATOM 1363 N CYS A 95 5.335 -3.780 -1.653 1.00 0.00 N ATOM 1364 CA CYS A 95 6.363 -4.619 -1.002 1.00 0.00 C ATOM 1365 C CYS A 95 7.636 -4.726 -1.851 1.00 0.00 C ATOM 1366 O CYS A 95 7.623 -4.431 -3.047 1.00 0.00 O ATOM 1367 CB CYS A 95 5.840 -6.037 -0.717 1.00 0.00 C ATOM 1368 SG CYS A 95 4.026 -6.200 -0.660 1.00 0.00 S ATOM 0 H CYS A 95 5.347 -3.809 -2.673 1.00 0.00 H new ATOM 0 HA CYS A 95 6.603 -4.125 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.225 -6.710 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.249 -6.373 0.236 1.00 0.00 H new ATOM 1373 N SER A 96 8.741 -5.155 -1.218 1.00 0.00 N ATOM 1374 CA SER A 96 10.025 -5.315 -1.915 1.00 0.00 C ATOM 1375 C SER A 96 10.390 -6.782 -2.058 1.00 0.00 C ATOM 1376 O SER A 96 10.458 -7.509 -1.066 1.00 0.00 O ATOM 1377 CB SER A 96 11.165 -4.617 -1.168 1.00 0.00 C ATOM 1378 OG SER A 96 12.345 -4.589 -1.954 1.00 0.00 O ATOM 0 H SER A 96 8.769 -5.396 -0.227 1.00 0.00 H new ATOM 0 HA SER A 96 9.899 -4.860 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.869 -3.599 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.361 -5.136 -0.230 1.00 0.00 H new ATOM 0 HG SER A 96 13.058 -4.137 -1.457 1.00 0.00 H new ATOM 1384 N SER A 97 10.647 -7.211 -3.286 1.00 0.00 N ATOM 1385 CA SER A 97 11.024 -8.592 -3.535 1.00 0.00 C ATOM 1386 C SER A 97 12.488 -8.688 -3.923 1.00 0.00 C ATOM 1387 O SER A 97 12.884 -8.293 -5.018 1.00 0.00 O ATOM 1388 CB SER A 97 10.165 -9.203 -4.627 1.00 0.00 C ATOM 1389 OG SER A 97 10.662 -10.469 -5.024 1.00 0.00 O ATOM 0 H SER A 97 10.601 -6.625 -4.120 1.00 0.00 H new ATOM 0 HA SER A 97 10.864 -9.149 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.140 -9.307 -4.271 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.137 -8.535 -5.488 1.00 0.00 H new ATOM 0 HG SER A 97 10.089 -10.840 -5.727 1.00 0.00 H new ATOM 1395 N SER A 98 13.268 -9.237 -3.010 1.00 0.00 N ATOM 1396 CA SER A 98 14.710 -9.404 -3.196 1.00 0.00 C ATOM 1397 C SER A 98 15.351 -10.006 -1.949 1.00 0.00 C ATOM 1398 O SER A 98 16.144 -10.945 -2.039 1.00 0.00 O ATOM 1399 CB SER A 98 15.378 -8.064 -3.514 1.00 0.00 C ATOM 1400 OG SER A 98 15.301 -7.764 -4.897 1.00 0.00 O ATOM 0 H SER A 98 12.925 -9.583 -2.114 1.00 0.00 H new ATOM 0 HA SER A 98 14.857 -10.083 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.898 -7.271 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.423 -8.094 -3.204 1.00 0.00 H new ATOM 0 HG SER A 98 14.375 -7.545 -5.133 1.00 0.00 H new ATOM 1406 N SER A 99 15.003 -9.457 -0.787 1.00 0.00 N ATOM 1407 CA SER A 99 15.548 -9.933 0.481 1.00 0.00 C ATOM 1408 C SER A 99 15.315 -11.430 0.654 1.00 0.00 C ATOM 1409 O SER A 99 16.254 -12.209 0.387 1.00 0.00 O ATOM 1410 CB SER A 99 14.924 -9.173 1.649 1.00 0.00 C ATOM 1411 OG SER A 99 15.923 -8.708 2.540 1.00 0.00 O ATOM 1412 OXT SER A 99 14.193 -11.813 1.051 1.00 0.00 O ATOM 0 H SER A 99 14.346 -8.682 -0.698 1.00 0.00 H new ATOM 0 HA SER A 99 16.623 -9.751 0.470 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.346 -8.329 1.272 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.230 -9.823 2.182 1.00 0.00 H new ATOM 0 HG SER A 99 16.113 -7.764 2.355 1.00 0.00 H new