USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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: D 71 THR OG1 : rot 139:sc= 0.338 USER MOD Set 1.2: D 74 ASN : amide:sc= 0.377 K(o=0.71,f=0.16) USER MOD Set 2.1: D 2 ASN : amide:sc= 0.861 X(o=2.1,f=1.7) USER MOD Set 2.2: D 9 GLN : amide:sc= 1.21 X(o=2.1,f=1.7) USER MOD Single : D 1 ASP N :NH3+ -132:sc= 0.0069 (180deg=-0.086) USER MOD Single : D 3 GLN : amide:sc= -1.17 K(o=-1.2,f=-7!) USER MOD Single : D 4 LYS NZ :NH3+ -135:sc= 0.109 (180deg=-0.682) USER MOD Single : D 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 11 ASN : amide:sc= -0.792 K(o=-0.79,f=-5.8!) USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN : amide:sc= -1.79! K(o=-1.8!,f=-0.0044) USER MOD Single : D 15 SER OG : rot -65:sc= 0.126 USER MOD Single : D 17 ASN : amide:sc= -3.48! C(o=-3.5!,f=-4.2!) USER MOD Single : D 19 LYS NZ :NH3+ 180:sc= -0.832 (180deg=-0.832) USER MOD Single : D 21 ASN : amide:sc= -0.972 X(o=-0.97,f=-1.1) USER MOD Single : D 22 LYS NZ :NH3+ -167:sc= -2.09! (180deg=-2.72!) USER MOD Single : D 24 LYS NZ :NH3+ -159:sc= -0.164 (180deg=-0.67) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl -171:sc= -1.09 (180deg=-1.21) USER MOD Single : D 32 ASN : amide:sc= -1.95 K(o=-1.9,f=-0.13) USER MOD Single : D 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 35 GLN : amide:sc= -2.3! C(o=-2.3!,f=-3.7!) USER MOD Single : D 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 39 THR OG1 : rot 151:sc= -3.21! USER MOD Single : D 40 SER OG : rot 46:sc= 1.22 USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.0578 X(o=-0.058,f=-0.043) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 132:sc= 0.62 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ -145:sc= -0.314 (180deg=-0.981) USER MOD Single : D 53 ASN : amide:sc= -2.61! K(o=-2.6!,f=-0.018) USER MOD Single : D 59 ASN : amide:sc= -4.03! K(o=-4!,f=-1.2) USER MOD Single : D 62 LYS NZ :NH3+ -170:sc= -0.0133 (180deg=-0.156) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 180:sc= 0 USER MOD Single : D 67 ASN : amide:sc= -4.96! C(o=-5!,f=-4.9!) USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 70 SER OG : rot 180:sc= 0 USER MOD Single : D 76 SER OG : rot -140:sc= 0 USER MOD Single : D 77 ASN : amide:sc= -0.115 K(o=-0.11,f=1) USER MOD Single : D 80 ASN : amide:sc= -0.163 X(o=-0.16,f=0.31) USER MOD Single : D 81 LYS NZ :NH3+ -136:sc= 0.843 (180deg=0.0318) USER MOD Single : D 83 ASN : amide:sc= -1.02! C(o=-1!,f=-6.2!) USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ 169:sc= -0.0408 (180deg=-0.186) USER MOD Single : D 93 GLN : amide:sc= -1.4! K(o=-1.4!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 19.021 -0.352 12.079 1.00 0.00 N ATOM 2 CA ASP D 1 18.706 1.018 11.606 1.00 0.00 C ATOM 3 C ASP D 1 19.454 1.328 10.319 1.00 0.00 C ATOM 4 O ASP D 1 20.553 0.824 10.102 1.00 0.00 O ATOM 5 CB ASP D 1 19.094 2.029 12.688 1.00 0.00 C ATOM 6 CG ASP D 1 18.348 1.811 13.983 1.00 0.00 C ATOM 7 OD1 ASP D 1 17.102 1.840 13.964 1.00 0.00 O ATOM 8 OD2 ASP D 1 19.008 1.620 15.022 1.00 0.00 O1- ATOM 0 H1 ASP D 1 18.139 -0.849 12.316 1.00 0.00 H new ATOM 0 H2 ASP D 1 19.520 -0.872 11.329 1.00 0.00 H new ATOM 0 H3 ASP D 1 19.625 -0.297 12.924 1.00 0.00 H new ATOM 0 HA ASP D 1 17.637 1.084 11.406 1.00 0.00 H new ATOM 0 HB2 ASP D 1 20.166 1.962 12.875 1.00 0.00 H new ATOM 0 HB3 ASP D 1 18.896 3.038 12.325 1.00 0.00 H new ATOM 13 N ASN D 2 18.878 2.195 9.492 1.00 0.00 N ATOM 14 CA ASN D 2 19.518 2.619 8.248 1.00 0.00 C ATOM 15 C ASN D 2 19.353 4.121 8.061 1.00 0.00 C ATOM 16 O ASN D 2 18.236 4.612 7.896 1.00 0.00 O ATOM 17 CB ASN D 2 18.930 1.878 7.042 1.00 0.00 C ATOM 18 CG ASN D 2 19.143 0.380 7.114 1.00 0.00 C ATOM 19 OD1 ASN D 2 20.277 -0.097 7.194 1.00 0.00 O ATOM 20 ND2 ASN D 2 18.055 -0.376 7.083 1.00 0.00 N ATOM 0 H ASN D 2 17.966 2.620 9.660 1.00 0.00 H new ATOM 0 HA ASN D 2 20.578 2.376 8.315 1.00 0.00 H new ATOM 0 HB2 ASN D 2 17.862 2.086 6.979 1.00 0.00 H new ATOM 0 HB3 ASN D 2 19.384 2.262 6.128 1.00 0.00 H new ATOM 0 HD21 ASN D 2 18.138 -1.392 7.126 1.00 0.00 H new ATOM 0 HD22 ASN D 2 17.134 0.058 7.016 1.00 0.00 H new ATOM 27 N GLN D 3 20.449 4.858 8.211 1.00 0.00 N ATOM 28 CA GLN D 3 20.393 6.313 8.190 1.00 0.00 C ATOM 29 C GLN D 3 20.716 6.872 6.805 1.00 0.00 C ATOM 30 O GLN D 3 20.594 8.076 6.577 1.00 0.00 O ATOM 31 CB GLN D 3 21.353 6.931 9.222 1.00 0.00 C ATOM 32 CG GLN D 3 21.114 6.520 10.678 1.00 0.00 C ATOM 33 CD GLN D 3 21.739 5.183 11.065 1.00 0.00 C ATOM 34 OE1 GLN D 3 21.427 4.133 10.508 1.00 0.00 O ATOM 35 NE2 GLN D 3 22.634 5.221 12.038 1.00 0.00 N ATOM 0 H GLN D 3 21.383 4.472 8.348 1.00 0.00 H new ATOM 0 HA GLN D 3 19.370 6.584 8.449 1.00 0.00 H new ATOM 0 HB2 GLN D 3 22.373 6.661 8.950 1.00 0.00 H new ATOM 0 HB3 GLN D 3 21.282 8.016 9.153 1.00 0.00 H new ATOM 0 HG2 GLN D 3 21.511 7.296 11.332 1.00 0.00 H new ATOM 0 HG3 GLN D 3 20.040 6.471 10.858 1.00 0.00 H new ATOM 0 HE21 GLN D 3 22.870 6.110 12.479 1.00 0.00 H new ATOM 0 HE22 GLN D 3 23.088 4.362 12.347 1.00 0.00 H new ATOM 44 N LYS D 4 21.054 5.996 5.863 1.00 0.00 N ATOM 45 CA LYS D 4 21.304 6.409 4.490 1.00 0.00 C ATOM 46 C LYS D 4 20.167 5.916 3.624 1.00 0.00 C ATOM 47 O LYS D 4 19.842 6.506 2.595 1.00 0.00 O ATOM 48 CB LYS D 4 22.627 5.829 3.967 1.00 0.00 C ATOM 49 CG LYS D 4 23.897 6.302 4.679 1.00 0.00 C ATOM 50 CD LYS D 4 24.270 7.753 4.357 1.00 0.00 C ATOM 51 CE LYS D 4 23.331 8.765 4.993 1.00 0.00 C ATOM 52 NZ LYS D 4 23.365 8.700 6.479 1.00 0.00 N1+ ATOM 0 H LYS D 4 21.161 4.995 6.028 1.00 0.00 H new ATOM 0 HA LYS D 4 21.373 7.496 4.457 1.00 0.00 H new ATOM 0 HB2 LYS D 4 22.578 4.742 4.039 1.00 0.00 H new ATOM 0 HB3 LYS D 4 22.715 6.075 2.909 1.00 0.00 H new ATOM 0 HG2 LYS D 4 23.761 6.200 5.756 1.00 0.00 H new ATOM 0 HG3 LYS D 4 24.725 5.651 4.400 1.00 0.00 H new ATOM 0 HD2 LYS D 4 25.287 7.945 4.699 1.00 0.00 H new ATOM 0 HD3 LYS D 4 24.266 7.892 3.276 1.00 0.00 H new ATOM 0 HE2 LYS D 4 23.605 9.768 4.668 1.00 0.00 H new ATOM 0 HE3 LYS D 4 22.314 8.584 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 22.394 8.726 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 23.826 7.817 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 23.899 9.512 6.850 1.00 0.00 H new ATOM 66 N ALA D 5 19.577 4.806 4.046 1.00 0.00 N ATOM 67 CA ALA D 5 18.490 4.200 3.309 1.00 0.00 C ATOM 68 C ALA D 5 17.163 4.884 3.623 1.00 0.00 C ATOM 69 O ALA D 5 16.318 4.334 4.332 1.00 0.00 O ATOM 70 CB ALA D 5 18.410 2.711 3.603 1.00 0.00 C ATOM 0 H ALA D 5 19.838 4.310 4.898 1.00 0.00 H new ATOM 0 HA ALA D 5 18.690 4.331 2.246 1.00 0.00 H new ATOM 0 HB1 ALA D 5 17.586 2.273 3.040 1.00 0.00 H new ATOM 0 HB2 ALA D 5 19.345 2.232 3.312 1.00 0.00 H new ATOM 0 HB3 ALA D 5 18.242 2.559 4.669 1.00 0.00 H new ATOM 76 N LEU D 6 17.006 6.107 3.132 1.00 0.00 N ATOM 77 CA LEU D 6 15.807 6.891 3.404 1.00 0.00 C ATOM 78 C LEU D 6 14.850 6.871 2.218 1.00 0.00 C ATOM 79 O LEU D 6 14.049 7.789 2.041 1.00 0.00 O ATOM 80 CB LEU D 6 16.176 8.338 3.737 1.00 0.00 C ATOM 81 CG LEU D 6 17.100 8.524 4.942 1.00 0.00 C ATOM 82 CD1 LEU D 6 17.362 9.999 5.177 1.00 0.00 C ATOM 83 CD2 LEU D 6 16.502 7.891 6.187 1.00 0.00 C ATOM 0 H LEU D 6 17.693 6.578 2.544 1.00 0.00 H new ATOM 0 HA LEU D 6 15.308 6.438 4.261 1.00 0.00 H new ATOM 0 HB2 LEU D 6 16.653 8.783 2.864 1.00 0.00 H new ATOM 0 HB3 LEU D 6 15.257 8.896 3.917 1.00 0.00 H new ATOM 0 HG LEU D 6 18.046 8.026 4.728 1.00 0.00 H new ATOM 0 HD11 LEU D 6 18.021 10.119 6.037 1.00 0.00 H new ATOM 0 HD12 LEU D 6 17.835 10.430 4.295 1.00 0.00 H new ATOM 0 HD13 LEU D 6 16.419 10.510 5.369 1.00 0.00 H new ATOM 0 HD21 LEU D 6 17.178 8.037 7.030 1.00 0.00 H new ATOM 0 HD22 LEU D 6 15.542 8.358 6.407 1.00 0.00 H new ATOM 0 HD23 LEU D 6 16.357 6.824 6.019 1.00 0.00 H new ATOM 95 N GLU D 7 14.953 5.845 1.390 1.00 0.00 N ATOM 96 CA GLU D 7 14.112 5.743 0.207 1.00 0.00 C ATOM 97 C GLU D 7 12.741 5.174 0.556 1.00 0.00 C ATOM 98 O GLU D 7 11.732 5.882 0.511 1.00 0.00 O ATOM 99 CB GLU D 7 14.792 4.877 -0.852 1.00 0.00 C ATOM 100 CG GLU D 7 16.143 5.417 -1.286 1.00 0.00 C ATOM 101 CD GLU D 7 16.796 4.552 -2.332 1.00 0.00 C ATOM 102 OE1 GLU D 7 17.058 3.372 -2.045 1.00 0.00 O ATOM 103 OE2 GLU D 7 17.033 5.048 -3.445 1.00 0.00 O1- ATOM 0 H GLU D 7 15.608 5.073 1.513 1.00 0.00 H new ATOM 0 HA GLU D 7 13.969 6.746 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU D 7 14.920 3.868 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU D 7 14.141 4.801 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU D 7 16.019 6.426 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU D 7 16.798 5.490 -0.418 1.00 0.00 H new ATOM 110 N GLU D 8 12.700 3.895 0.898 1.00 0.00 N ATOM 111 CA GLU D 8 11.449 3.244 1.236 1.00 0.00 C ATOM 112 C GLU D 8 11.191 3.309 2.734 1.00 0.00 C ATOM 113 O GLU D 8 10.050 3.280 3.187 1.00 0.00 O ATOM 114 CB GLU D 8 11.439 1.781 0.755 1.00 0.00 C ATOM 115 CG GLU D 8 12.571 0.917 1.305 1.00 0.00 C ATOM 116 CD GLU D 8 13.931 1.331 0.794 1.00 0.00 C ATOM 117 OE1 GLU D 8 14.155 1.245 -0.425 1.00 0.00 O ATOM 118 OE2 GLU D 8 14.764 1.767 1.606 1.00 0.00 O1- ATOM 0 H GLU D 8 13.520 3.290 0.948 1.00 0.00 H new ATOM 0 HA GLU D 8 10.649 3.778 0.724 1.00 0.00 H new ATOM 0 HB2 GLU D 8 10.487 1.328 1.034 1.00 0.00 H new ATOM 0 HB3 GLU D 8 11.490 1.771 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU D 8 12.566 0.971 2.394 1.00 0.00 H new ATOM 0 HG3 GLU D 8 12.390 -0.124 1.037 1.00 0.00 H new ATOM 125 N GLN D 9 12.263 3.268 3.493 1.00 0.00 N ATOM 126 CA GLN D 9 12.179 3.168 4.941 1.00 0.00 C ATOM 127 C GLN D 9 11.983 4.530 5.601 1.00 0.00 C ATOM 128 O GLN D 9 12.002 4.633 6.825 1.00 0.00 O ATOM 129 CB GLN D 9 13.466 2.519 5.432 1.00 0.00 C ATOM 130 CG GLN D 9 13.737 1.201 4.734 1.00 0.00 C ATOM 131 CD GLN D 9 15.145 0.703 4.936 1.00 0.00 C ATOM 132 OE1 GLN D 9 15.555 0.389 6.052 1.00 0.00 O ATOM 133 NE2 GLN D 9 15.902 0.670 3.850 1.00 0.00 N ATOM 0 H GLN D 9 13.216 3.303 3.130 1.00 0.00 H new ATOM 0 HA GLN D 9 11.310 2.568 5.211 1.00 0.00 H new ATOM 0 HB2 GLN D 9 14.302 3.198 5.263 1.00 0.00 H new ATOM 0 HB3 GLN D 9 13.402 2.354 6.507 1.00 0.00 H new ATOM 0 HG2 GLN D 9 13.037 0.451 5.102 1.00 0.00 H new ATOM 0 HG3 GLN D 9 13.549 1.317 3.667 1.00 0.00 H new ATOM 0 HE21 GLN D 9 15.511 0.941 2.948 1.00 0.00 H new ATOM 0 HE22 GLN D 9 16.876 0.373 3.916 1.00 0.00 H new ATOM 142 N MET D 10 11.802 5.575 4.801 1.00 0.00 N ATOM 143 CA MET D 10 11.618 6.911 5.362 1.00 0.00 C ATOM 144 C MET D 10 10.180 7.385 5.208 1.00 0.00 C ATOM 145 O MET D 10 9.415 7.403 6.167 1.00 0.00 O ATOM 146 CB MET D 10 12.576 7.917 4.721 1.00 0.00 C ATOM 147 CG MET D 10 12.524 9.292 5.365 1.00 0.00 C ATOM 148 SD MET D 10 12.939 9.233 7.120 1.00 0.00 S ATOM 149 CE MET D 10 12.753 10.952 7.580 1.00 0.00 C ATOM 0 H MET D 10 11.779 5.528 3.782 1.00 0.00 H new ATOM 0 HA MET D 10 11.845 6.847 6.426 1.00 0.00 H new ATOM 0 HB2 MET D 10 13.593 7.531 4.786 1.00 0.00 H new ATOM 0 HB3 MET D 10 12.338 8.011 3.661 1.00 0.00 H new ATOM 0 HG2 MET D 10 13.216 9.959 4.851 1.00 0.00 H new ATOM 0 HG3 MET D 10 11.526 9.712 5.243 1.00 0.00 H new ATOM 0 HE1 MET D 10 12.977 11.071 8.640 1.00 0.00 H new ATOM 0 HE2 MET D 10 13.439 11.562 6.993 1.00 0.00 H new ATOM 0 HE3 MET D 10 11.729 11.271 7.388 1.00 0.00 H new ATOM 159 N ASN D 11 9.808 7.733 3.983 1.00 0.00 N ATOM 160 CA ASN D 11 8.449 8.167 3.696 1.00 0.00 C ATOM 161 C ASN D 11 7.651 7.065 3.079 1.00 0.00 C ATOM 162 O ASN D 11 6.503 6.887 3.405 1.00 0.00 O ATOM 163 CB ASN D 11 8.407 9.376 2.761 1.00 0.00 C ATOM 164 CG ASN D 11 9.458 9.340 1.661 1.00 0.00 C ATOM 165 OD1 ASN D 11 9.477 8.442 0.821 1.00 0.00 O ATOM 166 ND2 ASN D 11 10.351 10.319 1.671 1.00 0.00 N ATOM 0 H ASN D 11 10.428 7.723 3.173 1.00 0.00 H new ATOM 0 HA ASN D 11 8.017 8.451 4.656 1.00 0.00 H new ATOM 0 HB2 ASN D 11 7.419 9.436 2.305 1.00 0.00 H new ATOM 0 HB3 ASN D 11 8.542 10.283 3.350 1.00 0.00 H new ATOM 0 HD21 ASN D 11 11.087 10.345 0.965 1.00 0.00 H new ATOM 0 HD22 ASN D 11 10.302 11.046 2.384 1.00 0.00 H new ATOM 173 N SER D 12 8.247 6.452 2.085 1.00 0.00 N ATOM 174 CA SER D 12 7.610 5.462 1.235 1.00 0.00 C ATOM 175 C SER D 12 6.505 4.658 1.931 1.00 0.00 C ATOM 176 O SER D 12 5.368 4.590 1.457 1.00 0.00 O ATOM 177 CB SER D 12 8.695 4.504 0.778 1.00 0.00 C ATOM 178 OG SER D 12 8.178 3.468 -0.039 1.00 0.00 O ATOM 0 H SER D 12 9.219 6.631 1.833 1.00 0.00 H new ATOM 0 HA SER D 12 7.127 5.990 0.412 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.457 5.055 0.226 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.185 4.069 1.649 1.00 0.00 H new ATOM 0 HG SER D 12 8.907 2.874 -0.314 1.00 0.00 H new ATOM 184 N ILE D 13 6.909 3.940 2.965 1.00 0.00 N ATOM 185 CA ILE D 13 6.052 2.986 3.659 1.00 0.00 C ATOM 186 C ILE D 13 5.165 3.683 4.684 1.00 0.00 C ATOM 187 O ILE D 13 4.206 3.117 5.201 1.00 0.00 O ATOM 188 CB ILE D 13 6.947 1.935 4.328 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.784 1.273 3.254 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.147 0.899 5.107 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.760 0.245 3.785 1.00 0.00 C ATOM 0 H ILE D 13 7.851 4.002 3.353 1.00 0.00 H new ATOM 0 HA ILE D 13 5.386 2.504 2.944 1.00 0.00 H new ATOM 0 HB ILE D 13 7.586 2.432 5.057 1.00 0.00 H new ATOM 0 HG12 ILE D 13 7.121 0.793 2.535 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.338 2.041 2.714 1.00 0.00 H new ATOM 0 HG21 ILE D 13 6.828 0.179 5.560 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.572 1.396 5.888 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.468 0.380 4.431 1.00 0.00 H new ATOM 0 HD11 ILE D 13 9.323 -0.185 2.956 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.449 0.723 4.482 1.00 0.00 H new ATOM 0 HD13 ILE D 13 8.213 -0.545 4.300 1.00 0.00 H new ATOM 203 N ASN D 14 5.434 4.946 4.894 1.00 0.00 N ATOM 204 CA ASN D 14 4.587 5.768 5.761 1.00 0.00 C ATOM 205 C ASN D 14 3.538 6.524 4.946 1.00 0.00 C ATOM 206 O ASN D 14 2.350 6.515 5.279 1.00 0.00 O ATOM 207 CB ASN D 14 5.415 6.763 6.578 1.00 0.00 C ATOM 208 CG ASN D 14 6.339 6.103 7.588 1.00 0.00 C ATOM 209 OD1 ASN D 14 7.084 6.785 8.292 1.00 0.00 O ATOM 210 ND2 ASN D 14 6.292 4.781 7.678 1.00 0.00 N ATOM 0 H ASN D 14 6.227 5.439 4.484 1.00 0.00 H new ATOM 0 HA ASN D 14 4.083 5.089 6.449 1.00 0.00 H new ATOM 0 HB2 ASN D 14 6.010 7.372 5.898 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.740 7.439 7.103 1.00 0.00 H new ATOM 0 HD21 ASN D 14 6.887 4.294 8.348 1.00 0.00 H new ATOM 0 HD22 ASN D 14 5.661 4.251 7.077 1.00 0.00 H new ATOM 217 N SER D 15 3.979 7.194 3.886 1.00 0.00 N ATOM 218 CA SER D 15 3.079 7.966 3.050 1.00 0.00 C ATOM 219 C SER D 15 2.165 7.054 2.248 1.00 0.00 C ATOM 220 O SER D 15 1.121 7.490 1.773 1.00 0.00 O ATOM 221 CB SER D 15 3.829 8.912 2.117 1.00 0.00 C ATOM 222 OG SER D 15 4.669 8.205 1.214 1.00 0.00 O ATOM 0 H SER D 15 4.955 7.215 3.589 1.00 0.00 H new ATOM 0 HA SER D 15 2.472 8.575 3.720 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.113 9.511 1.554 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.430 9.604 2.707 1.00 0.00 H new ATOM 0 HG SER D 15 5.373 7.744 1.715 1.00 0.00 H new ATOM 228 N VAL D 16 2.517 5.769 2.161 1.00 0.00 N ATOM 229 CA VAL D 16 1.662 4.795 1.492 1.00 0.00 C ATOM 230 C VAL D 16 0.300 4.762 2.171 1.00 0.00 C ATOM 231 O VAL D 16 -0.734 4.706 1.508 1.00 0.00 O ATOM 232 CB VAL D 16 2.285 3.377 1.490 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.467 2.846 2.894 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.442 2.410 0.680 1.00 0.00 C ATOM 0 H VAL D 16 3.381 5.384 2.543 1.00 0.00 H new ATOM 0 HA VAL D 16 1.554 5.105 0.453 1.00 0.00 H new ATOM 0 HB VAL D 16 3.267 3.463 1.026 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.906 1.849 2.852 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.127 3.510 3.452 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.499 2.795 3.392 1.00 0.00 H new ATOM 0 HG21 VAL D 16 1.904 1.423 0.696 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.442 2.350 1.110 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.373 2.761 -0.350 1.00 0.00 H new ATOM 244 N ASN D 17 0.318 4.959 3.483 1.00 0.00 N ATOM 245 CA ASN D 17 -0.903 5.107 4.251 1.00 0.00 C ATOM 246 C ASN D 17 -1.624 6.361 3.825 1.00 0.00 C ATOM 247 O ASN D 17 -2.833 6.382 3.757 1.00 0.00 O ATOM 248 CB ASN D 17 -0.607 5.213 5.751 1.00 0.00 C ATOM 249 CG ASN D 17 0.043 3.982 6.342 1.00 0.00 C ATOM 250 OD1 ASN D 17 1.094 3.535 5.888 1.00 0.00 O ATOM 251 ND2 ASN D 17 -0.566 3.447 7.386 1.00 0.00 N ATOM 0 H ASN D 17 1.172 5.020 4.037 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.518 4.226 4.067 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.043 6.071 5.922 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.539 5.408 6.281 1.00 0.00 H new ATOM 0 HD21 ASN D 17 -0.165 2.631 7.848 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -1.437 3.850 7.730 1.00 0.00 H new ATOM 258 N ASP D 18 -0.873 7.429 3.627 1.00 0.00 N ATOM 259 CA ASP D 18 -1.457 8.732 3.310 1.00 0.00 C ATOM 260 C ASP D 18 -2.341 8.725 2.059 1.00 0.00 C ATOM 261 O ASP D 18 -3.198 9.599 1.915 1.00 0.00 O ATOM 262 CB ASP D 18 -0.360 9.786 3.133 1.00 0.00 C ATOM 263 CG ASP D 18 0.365 10.108 4.417 1.00 0.00 C ATOM 264 OD1 ASP D 18 -0.304 10.493 5.393 1.00 0.00 O ATOM 265 OD2 ASP D 18 1.602 10.007 4.444 1.00 0.00 O1- ATOM 0 H ASP D 18 0.146 7.426 3.679 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.096 8.978 4.159 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.360 9.432 2.395 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -0.802 10.699 2.734 1.00 0.00 H new ATOM 270 N LYS D 19 -2.225 7.707 1.207 1.00 0.00 N ATOM 271 CA LYS D 19 -3.136 7.604 0.064 1.00 0.00 C ATOM 272 C LYS D 19 -4.322 6.765 0.451 1.00 0.00 C ATOM 273 O LYS D 19 -5.430 6.928 -0.052 1.00 0.00 O ATOM 274 CB LYS D 19 -2.502 6.957 -1.171 1.00 0.00 C ATOM 275 CG LYS D 19 -1.382 7.760 -1.830 1.00 0.00 C ATOM 276 CD LYS D 19 -0.130 7.842 -0.989 1.00 0.00 C ATOM 277 CE LYS D 19 0.557 6.492 -0.881 1.00 0.00 C ATOM 278 NZ LYS D 19 1.004 5.976 -2.200 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.532 6.962 1.280 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.413 8.626 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.108 5.981 -0.887 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.284 6.782 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.137 7.307 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.740 8.769 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.557 8.567 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.383 8.204 0.008 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.417 6.577 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS D 19 -0.127 5.775 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 1.466 5.053 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 0.182 5.868 -2.827 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.677 6.645 -2.624 1.00 0.00 H new ATOM 292 N LEU D 20 -4.000 5.746 1.209 1.00 0.00 N ATOM 293 CA LEU D 20 -4.925 4.697 1.545 1.00 0.00 C ATOM 294 C LEU D 20 -5.870 5.134 2.652 1.00 0.00 C ATOM 295 O LEU D 20 -6.931 4.554 2.855 1.00 0.00 O ATOM 296 CB LEU D 20 -4.111 3.504 2.027 1.00 0.00 C ATOM 297 CG LEU D 20 -3.084 2.988 1.024 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.276 1.851 1.611 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.768 2.540 -0.252 1.00 0.00 C ATOM 0 H LEU D 20 -3.073 5.622 1.615 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.524 4.445 0.670 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.594 3.781 2.946 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.794 2.692 2.278 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.402 3.806 0.789 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.551 1.502 0.875 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.751 2.199 2.501 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.943 1.032 1.881 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -3.021 2.175 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.474 1.741 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.302 3.382 -0.693 1.00 0.00 H new ATOM 311 N ASN D 21 -5.342 5.989 3.503 1.00 0.00 N ATOM 312 CA ASN D 21 -5.969 6.323 4.763 1.00 0.00 C ATOM 313 C ASN D 21 -6.716 7.640 4.619 1.00 0.00 C ATOM 314 O ASN D 21 -6.079 8.691 4.566 1.00 0.00 O ATOM 315 CB ASN D 21 -4.863 6.466 5.815 1.00 0.00 C ATOM 316 CG ASN D 21 -5.307 6.079 7.205 1.00 0.00 C ATOM 317 OD1 ASN D 21 -6.212 6.684 7.780 1.00 0.00 O ATOM 318 ND2 ASN D 21 -4.673 5.037 7.739 1.00 0.00 N ATOM 0 H ASN D 21 -4.460 6.474 3.338 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.675 5.548 5.061 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.014 5.846 5.526 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -4.514 7.498 5.827 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -4.931 4.705 8.668 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -3.929 4.571 7.219 1.00 0.00 H new ATOM 325 N LYS D 22 -8.022 7.602 4.347 1.00 0.00 N ATOM 326 CA LYS D 22 -8.691 8.852 3.973 1.00 0.00 C ATOM 327 C LYS D 22 -9.857 9.228 4.886 1.00 0.00 C ATOM 328 O LYS D 22 -10.045 10.405 5.189 1.00 0.00 O ATOM 329 CB LYS D 22 -9.184 8.787 2.529 1.00 0.00 C ATOM 330 CG LYS D 22 -8.113 8.360 1.537 1.00 0.00 C ATOM 331 CD LYS D 22 -8.570 8.526 0.093 1.00 0.00 C ATOM 332 CE LYS D 22 -8.391 9.957 -0.414 1.00 0.00 C ATOM 333 NZ LYS D 22 -9.120 10.961 0.407 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.612 6.770 4.375 1.00 0.00 H new ATOM 0 HA LYS D 22 -7.936 9.630 4.084 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -10.020 8.090 2.471 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.565 9.766 2.240 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.211 8.950 1.701 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.849 7.318 1.716 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.006 7.845 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.620 8.243 0.012 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -7.329 10.204 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -8.739 10.017 -1.445 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -9.147 11.869 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -10.091 10.631 0.578 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -8.632 11.086 1.317 1.00 0.00 H new ATOM 347 N GLY D 23 -10.687 8.265 5.250 1.00 0.00 N ATOM 348 CA GLY D 23 -11.856 8.581 6.028 1.00 0.00 C ATOM 349 C GLY D 23 -12.832 7.431 6.111 1.00 0.00 C ATOM 350 O GLY D 23 -12.810 6.685 7.087 1.00 0.00 O ATOM 0 H GLY D 23 -10.571 7.278 5.021 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.551 8.866 7.035 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.356 9.445 5.590 1.00 0.00 H new ATOM 354 N LYS D 24 -13.640 7.254 5.053 1.00 0.00 N ATOM 355 CA LYS D 24 -14.584 6.133 4.964 1.00 0.00 C ATOM 356 C LYS D 24 -13.855 4.854 5.324 1.00 0.00 C ATOM 357 O LYS D 24 -14.138 4.216 6.336 1.00 0.00 O ATOM 358 CB LYS D 24 -15.127 6.013 3.533 1.00 0.00 C ATOM 359 CG LYS D 24 -16.234 4.991 3.339 1.00 0.00 C ATOM 360 CD LYS D 24 -17.548 5.473 3.916 1.00 0.00 C ATOM 361 CE LYS D 24 -18.676 4.517 3.578 1.00 0.00 C ATOM 362 NZ LYS D 24 -18.796 4.289 2.110 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.657 7.877 4.245 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.415 6.304 5.648 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.498 6.989 3.220 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.301 5.759 2.869 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.357 4.785 2.276 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -15.950 4.052 3.815 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.460 5.569 4.998 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -17.778 6.464 3.526 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -18.506 3.564 4.080 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.616 4.916 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -19.751 3.941 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -18.628 5.182 1.605 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -18.093 3.584 1.810 1.00 0.00 H new ATOM 376 N GLY D 25 -12.831 4.575 4.546 1.00 0.00 N ATOM 377 CA GLY D 25 -11.951 3.480 4.820 1.00 0.00 C ATOM 378 C GLY D 25 -10.529 3.845 4.538 1.00 0.00 C ATOM 379 O GLY D 25 -10.247 4.907 3.976 1.00 0.00 O ATOM 0 H GLY D 25 -12.593 5.106 3.708 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.052 3.181 5.863 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.236 2.621 4.213 1.00 0.00 H new ATOM 383 N LYS D 26 -9.649 3.094 5.140 1.00 0.00 N ATOM 384 CA LYS D 26 -8.255 3.439 5.186 1.00 0.00 C ATOM 385 C LYS D 26 -7.400 2.201 5.236 1.00 0.00 C ATOM 386 O LYS D 26 -7.878 1.143 5.618 1.00 0.00 O ATOM 387 CB LYS D 26 -8.056 4.281 6.405 1.00 0.00 C ATOM 388 CG LYS D 26 -8.934 3.803 7.521 1.00 0.00 C ATOM 389 CD LYS D 26 -8.988 4.810 8.647 1.00 0.00 C ATOM 390 CE LYS D 26 -9.520 6.139 8.139 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.776 7.102 9.243 1.00 0.00 N1+ ATOM 0 H LYS D 26 -9.880 2.221 5.615 1.00 0.00 H new ATOM 0 HA LYS D 26 -7.960 3.986 4.291 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.011 4.243 6.714 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.283 5.322 6.176 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -9.940 3.623 7.143 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.560 2.851 7.899 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.627 4.437 9.448 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -7.993 4.946 9.070 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -8.804 6.572 7.441 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.443 5.971 7.585 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -10.138 7.994 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -10.479 6.702 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -8.890 7.285 9.757 1.00 0.00 H new ATOM 405 N LEU D 27 -6.140 2.332 4.891 1.00 0.00 N ATOM 406 CA LEU D 27 -5.242 1.203 4.948 1.00 0.00 C ATOM 407 C LEU D 27 -3.909 1.572 5.598 1.00 0.00 C ATOM 408 O LEU D 27 -3.373 2.661 5.383 1.00 0.00 O ATOM 409 CB LEU D 27 -5.062 0.627 3.562 1.00 0.00 C ATOM 410 CG LEU D 27 -4.022 -0.479 3.438 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.328 -1.627 4.385 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.954 -0.997 2.010 1.00 0.00 C ATOM 0 H LEU D 27 -5.716 3.203 4.570 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.684 0.435 5.583 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.022 0.238 3.222 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -4.788 1.436 2.885 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.056 -0.053 3.708 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.569 -2.402 4.275 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.327 -1.262 5.412 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.308 -2.042 4.149 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.205 -1.786 1.944 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.927 -1.395 1.721 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.682 -0.182 1.340 1.00 0.00 H new ATOM 424 N SER D 28 -3.453 0.690 6.472 1.00 0.00 N ATOM 425 CA SER D 28 -2.262 0.899 7.278 1.00 0.00 C ATOM 426 C SER D 28 -1.300 -0.256 7.078 1.00 0.00 C ATOM 427 O SER D 28 -1.732 -1.402 7.018 1.00 0.00 O ATOM 428 CB SER D 28 -2.663 0.963 8.747 1.00 0.00 C ATOM 429 OG SER D 28 -3.600 2.005 8.982 1.00 0.00 O ATOM 0 H SER D 28 -3.908 -0.207 6.644 1.00 0.00 H new ATOM 0 HA SER D 28 -1.779 1.829 6.979 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.094 0.009 9.050 1.00 0.00 H new ATOM 0 HB3 SER D 28 -1.777 1.123 9.361 1.00 0.00 H new ATOM 0 HG SER D 28 -3.840 2.021 9.932 1.00 0.00 H new ATOM 435 N LEU D 29 -0.023 0.028 6.859 1.00 0.00 N ATOM 436 CA LEU D 29 0.902 -1.045 6.535 1.00 0.00 C ATOM 437 C LEU D 29 2.252 -0.848 7.211 1.00 0.00 C ATOM 438 O LEU D 29 2.847 0.226 7.137 1.00 0.00 O ATOM 439 CB LEU D 29 1.093 -1.149 5.019 1.00 0.00 C ATOM 440 CG LEU D 29 -0.110 -0.698 4.177 1.00 0.00 C ATOM 441 CD1 LEU D 29 -0.087 0.808 3.968 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.152 -1.432 2.848 1.00 0.00 C ATOM 0 H LEU D 29 0.385 0.962 6.898 1.00 0.00 H new ATOM 0 HA LEU D 29 0.468 -1.972 6.909 1.00 0.00 H new ATOM 0 HB2 LEU D 29 1.959 -0.551 4.736 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.325 -2.184 4.768 1.00 0.00 H new ATOM 0 HG LEU D 29 -1.018 -0.950 4.724 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.948 1.105 3.369 1.00 0.00 H new ATOM 0 HD12 LEU D 29 -0.126 1.310 4.935 1.00 0.00 H new ATOM 0 HD13 LEU D 29 0.830 1.089 3.450 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.013 -1.093 2.272 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.761 -1.226 2.290 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.234 -2.504 3.027 1.00 0.00 H new ATOM 454 N SER D 30 2.767 -1.922 7.788 1.00 0.00 N ATOM 455 CA SER D 30 4.089 -1.922 8.391 1.00 0.00 C ATOM 456 C SER D 30 4.733 -3.293 8.223 1.00 0.00 C ATOM 457 O SER D 30 4.088 -4.232 7.756 1.00 0.00 O ATOM 458 CB SER D 30 3.997 -1.551 9.875 1.00 0.00 C ATOM 459 OG SER D 30 3.147 -2.448 10.580 1.00 0.00 O ATOM 0 H SER D 30 2.281 -2.816 7.851 1.00 0.00 H new ATOM 0 HA SER D 30 4.708 -1.178 7.890 1.00 0.00 H new ATOM 0 HB2 SER D 30 4.993 -1.566 10.318 1.00 0.00 H new ATOM 0 HB3 SER D 30 3.619 -0.534 9.975 1.00 0.00 H new ATOM 0 HG SER D 30 3.108 -2.188 11.524 1.00 0.00 H new ATOM 465 N MET D 31 5.990 -3.423 8.614 1.00 0.00 N ATOM 466 CA MET D 31 6.679 -4.703 8.512 1.00 0.00 C ATOM 467 C MET D 31 7.481 -4.995 9.770 1.00 0.00 C ATOM 468 O MET D 31 8.413 -4.270 10.122 1.00 0.00 O ATOM 469 CB MET D 31 7.580 -4.739 7.270 1.00 0.00 C ATOM 470 CG MET D 31 8.638 -3.646 7.228 1.00 0.00 C ATOM 471 SD MET D 31 9.610 -3.672 5.708 1.00 0.00 S ATOM 472 CE MET D 31 10.305 -5.323 5.763 1.00 0.00 C ATOM 0 H MET D 31 6.552 -2.666 9.002 1.00 0.00 H new ATOM 0 HA MET D 31 5.924 -5.483 8.408 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.075 -5.709 7.224 1.00 0.00 H new ATOM 0 HB3 MET D 31 6.955 -4.657 6.381 1.00 0.00 H new ATOM 0 HG2 MET D 31 8.154 -2.674 7.328 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.305 -3.759 8.083 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.052 -5.430 4.977 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.773 -5.489 6.733 1.00 0.00 H new ATOM 0 HE3 MET D 31 9.513 -6.056 5.613 1.00 0.00 H new ATOM 482 N ASN D 32 7.128 -6.081 10.431 1.00 0.00 N ATOM 483 CA ASN D 32 7.832 -6.503 11.628 1.00 0.00 C ATOM 484 C ASN D 32 8.923 -7.494 11.238 1.00 0.00 C ATOM 485 O ASN D 32 8.669 -8.691 11.117 1.00 0.00 O ATOM 486 CB ASN D 32 6.851 -7.140 12.624 1.00 0.00 C ATOM 487 CG ASN D 32 7.487 -7.478 13.965 1.00 0.00 C ATOM 488 OD1 ASN D 32 6.835 -8.047 14.841 1.00 0.00 O ATOM 489 ND2 ASN D 32 8.744 -7.104 14.155 1.00 0.00 N ATOM 0 H ASN D 32 6.356 -6.689 10.159 1.00 0.00 H new ATOM 0 HA ASN D 32 8.288 -5.639 12.111 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.016 -6.458 12.787 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.439 -8.049 12.186 1.00 0.00 H new ATOM 0 HD21 ASN D 32 9.201 -7.286 15.049 1.00 0.00 H new ATOM 0 HD22 ASN D 32 9.255 -6.635 13.407 1.00 0.00 H new ATOM 496 N GLY D 33 10.107 -6.976 10.940 1.00 0.00 N ATOM 497 CA GLY D 33 11.181 -7.824 10.453 1.00 0.00 C ATOM 498 C GLY D 33 11.064 -8.067 8.963 1.00 0.00 C ATOM 499 O GLY D 33 11.290 -7.161 8.163 1.00 0.00 O ATOM 0 H GLY D 33 10.344 -5.988 11.026 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.142 -7.358 10.672 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.161 -8.777 10.981 1.00 0.00 H new ATOM 503 N ASN D 34 10.626 -9.262 8.594 1.00 0.00 N ATOM 504 CA ASN D 34 10.378 -9.594 7.196 1.00 0.00 C ATOM 505 C ASN D 34 8.906 -9.918 7.001 1.00 0.00 C ATOM 506 O ASN D 34 8.515 -10.555 6.024 1.00 0.00 O ATOM 507 CB ASN D 34 11.234 -10.782 6.758 1.00 0.00 C ATOM 508 CG ASN D 34 12.716 -10.486 6.837 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.213 -9.574 6.178 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.433 -11.252 7.645 1.00 0.00 N ATOM 0 H ASN D 34 10.434 -10.022 9.246 1.00 0.00 H new ATOM 0 HA ASN D 34 10.647 -8.734 6.583 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.004 -11.643 7.386 1.00 0.00 H new ATOM 0 HB3 ASN D 34 10.975 -11.055 5.735 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.437 -11.096 7.738 1.00 0.00 H new ATOM 0 HD22 ASN D 34 12.982 -11.998 8.174 1.00 0.00 H new ATOM 517 N GLN D 35 8.109 -9.507 7.971 1.00 0.00 N ATOM 518 CA GLN D 35 6.679 -9.771 7.971 1.00 0.00 C ATOM 519 C GLN D 35 5.945 -8.587 7.363 1.00 0.00 C ATOM 520 O GLN D 35 6.335 -7.448 7.580 1.00 0.00 O ATOM 521 CB GLN D 35 6.219 -9.976 9.409 1.00 0.00 C ATOM 522 CG GLN D 35 4.792 -10.473 9.555 1.00 0.00 C ATOM 523 CD GLN D 35 4.427 -10.723 11.003 1.00 0.00 C ATOM 524 OE1 GLN D 35 4.482 -9.817 11.832 1.00 0.00 O ATOM 525 NE2 GLN D 35 4.050 -11.953 11.316 1.00 0.00 N ATOM 0 H GLN D 35 8.434 -8.980 8.782 1.00 0.00 H new ATOM 0 HA GLN D 35 6.464 -10.664 7.383 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.888 -10.688 9.892 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.317 -9.032 9.945 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.107 -9.740 9.129 1.00 0.00 H new ATOM 0 HG3 GLN D 35 4.668 -11.394 8.985 1.00 0.00 H new ATOM 0 HE21 GLN D 35 4.018 -12.675 10.597 1.00 0.00 H new ATOM 0 HE22 GLN D 35 3.791 -12.178 12.277 1.00 0.00 H new ATOM 534 N LEU D 36 4.898 -8.841 6.599 1.00 0.00 N ATOM 535 CA LEU D 36 4.162 -7.756 5.973 1.00 0.00 C ATOM 536 C LEU D 36 2.765 -7.628 6.561 1.00 0.00 C ATOM 537 O LEU D 36 2.003 -8.594 6.612 1.00 0.00 O ATOM 538 CB LEU D 36 4.165 -7.948 4.458 1.00 0.00 C ATOM 539 CG LEU D 36 3.378 -6.945 3.586 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.881 -7.162 3.701 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.709 -5.507 3.952 1.00 0.00 C ATOM 0 H LEU D 36 4.541 -9.775 6.398 1.00 0.00 H new ATOM 0 HA LEU D 36 4.655 -6.807 6.183 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.203 -7.934 4.124 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.776 -8.945 4.249 1.00 0.00 H new ATOM 0 HG LEU D 36 3.682 -7.125 2.555 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.359 -6.439 3.074 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.633 -8.172 3.373 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.573 -7.032 4.738 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.137 -4.829 3.318 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.453 -5.329 4.997 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.774 -5.330 3.804 1.00 0.00 H new ATOM 553 N LYS D 37 2.547 -6.489 7.197 1.00 0.00 N ATOM 554 CA LYS D 37 1.388 -6.251 8.022 1.00 0.00 C ATOM 555 C LYS D 37 0.535 -5.111 7.475 1.00 0.00 C ATOM 556 O LYS D 37 0.999 -3.979 7.373 1.00 0.00 O ATOM 557 CB LYS D 37 1.921 -5.880 9.393 1.00 0.00 C ATOM 558 CG LYS D 37 2.893 -6.909 9.950 1.00 0.00 C ATOM 559 CD LYS D 37 2.164 -8.082 10.569 1.00 0.00 C ATOM 560 CE LYS D 37 1.403 -8.941 9.565 1.00 0.00 C ATOM 561 NZ LYS D 37 0.714 -10.083 10.223 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.185 -5.694 7.150 1.00 0.00 H new ATOM 0 HA LYS D 37 0.751 -7.135 8.051 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.419 -4.912 9.334 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.085 -5.766 10.083 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.545 -7.264 9.152 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.532 -6.440 10.699 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.885 -8.708 11.094 1.00 0.00 H new ATOM 0 HD3 LYS D 37 1.464 -7.708 11.316 1.00 0.00 H new ATOM 0 HE2 LYS D 37 0.670 -8.326 9.043 1.00 0.00 H new ATOM 0 HE3 LYS D 37 2.095 -9.319 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 0.208 -10.643 9.507 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 1.416 -10.684 10.700 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 0.035 -9.722 10.923 1.00 0.00 H new ATOM 575 N ALA D 38 -0.729 -5.389 7.202 1.00 0.00 N ATOM 576 CA ALA D 38 -1.648 -4.354 6.758 1.00 0.00 C ATOM 577 C ALA D 38 -2.933 -4.382 7.560 1.00 0.00 C ATOM 578 O ALA D 38 -3.292 -5.401 8.153 1.00 0.00 O ATOM 579 CB ALA D 38 -1.948 -4.502 5.282 1.00 0.00 C ATOM 0 H ALA D 38 -1.141 -6.319 7.280 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.166 -3.390 6.921 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.638 -3.717 4.970 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.022 -4.419 4.712 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.400 -5.477 5.099 1.00 0.00 H new ATOM 585 N THR D 39 -3.575 -3.230 7.611 1.00 0.00 N ATOM 586 CA THR D 39 -4.789 -3.030 8.376 1.00 0.00 C ATOM 587 C THR D 39 -5.665 -1.964 7.730 1.00 0.00 C ATOM 588 O THR D 39 -5.226 -0.847 7.508 1.00 0.00 O ATOM 589 CB THR D 39 -4.431 -2.628 9.809 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.320 -1.749 9.816 1.00 0.00 O ATOM 591 CG2 THR D 39 -4.118 -3.792 10.724 1.00 0.00 C ATOM 0 H THR D 39 -3.262 -2.396 7.115 1.00 0.00 H new ATOM 0 HA THR D 39 -5.352 -3.963 8.394 1.00 0.00 H new ATOM 0 HB THR D 39 -5.327 -2.141 10.195 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.377 -1.156 10.594 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.875 -3.418 11.719 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.985 -4.450 10.785 1.00 0.00 H new ATOM 0 HG23 THR D 39 -3.268 -4.348 10.328 1.00 0.00 H new ATOM 599 N SER D 40 -6.936 -2.259 7.576 1.00 0.00 N ATOM 600 CA SER D 40 -7.888 -1.260 7.125 1.00 0.00 C ATOM 601 C SER D 40 -8.761 -0.882 8.283 1.00 0.00 C ATOM 602 O SER D 40 -9.289 -1.747 8.987 1.00 0.00 O ATOM 603 CB SER D 40 -8.746 -1.780 5.991 1.00 0.00 C ATOM 604 OG SER D 40 -9.721 -0.822 5.607 1.00 0.00 O ATOM 0 H SER D 40 -7.337 -3.180 7.755 1.00 0.00 H new ATOM 0 HA SER D 40 -7.340 -0.394 6.754 1.00 0.00 H new ATOM 0 HB2 SER D 40 -8.115 -2.024 5.136 1.00 0.00 H new ATOM 0 HB3 SER D 40 -9.239 -2.703 6.297 1.00 0.00 H new ATOM 0 HG SER D 40 -9.300 0.060 5.529 1.00 0.00 H new ATOM 610 N SER D 41 -8.889 0.398 8.512 1.00 0.00 N ATOM 611 CA SER D 41 -9.683 0.843 9.636 1.00 0.00 C ATOM 612 C SER D 41 -11.091 1.172 9.167 1.00 0.00 C ATOM 613 O SER D 41 -11.328 1.318 7.960 1.00 0.00 O ATOM 614 CB SER D 41 -9.026 2.029 10.343 1.00 0.00 C ATOM 615 OG SER D 41 -9.752 2.410 11.499 1.00 0.00 O ATOM 0 H SER D 41 -8.467 1.139 7.953 1.00 0.00 H new ATOM 0 HA SER D 41 -9.745 0.038 10.369 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.005 1.768 10.622 1.00 0.00 H new ATOM 0 HB3 SER D 41 -8.962 2.874 9.657 1.00 0.00 H new ATOM 0 HG SER D 41 -9.306 3.169 11.930 1.00 0.00 H new ATOM 621 N ASN D 42 -12.032 1.072 10.113 1.00 0.00 N ATOM 622 CA ASN D 42 -13.470 1.123 9.833 1.00 0.00 C ATOM 623 C ASN D 42 -13.941 -0.218 9.286 1.00 0.00 C ATOM 624 O ASN D 42 -15.128 -0.411 9.027 1.00 0.00 O ATOM 625 CB ASN D 42 -13.842 2.269 8.890 1.00 0.00 C ATOM 626 CG ASN D 42 -13.539 3.617 9.509 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.055 3.949 10.575 1.00 0.00 O ATOM 628 ND2 ASN D 42 -12.701 4.400 8.853 1.00 0.00 N ATOM 0 H ASN D 42 -11.814 0.952 11.102 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.984 1.322 10.773 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.292 2.165 7.955 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -14.902 2.210 8.645 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.461 5.318 9.228 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.295 4.087 7.971 1.00 0.00 H new ATOM 635 N ALA D 43 -13.016 -1.182 9.306 1.00 0.00 N ATOM 636 CA ALA D 43 -13.306 -2.586 9.019 1.00 0.00 C ATOM 637 C ALA D 43 -14.067 -2.808 7.712 1.00 0.00 C ATOM 638 O ALA D 43 -15.093 -3.490 7.706 1.00 0.00 O ATOM 639 CB ALA D 43 -14.074 -3.198 10.179 1.00 0.00 C ATOM 0 H ALA D 43 -12.035 -1.006 9.524 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.342 -3.080 8.894 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.288 -4.244 9.962 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.475 -3.131 11.087 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -15.010 -2.658 10.321 1.00 0.00 H new ATOM 645 N GLY D 44 -13.487 -2.402 6.586 1.00 0.00 N ATOM 646 CA GLY D 44 -14.072 -2.775 5.317 1.00 0.00 C ATOM 647 C GLY D 44 -14.785 -1.651 4.606 1.00 0.00 C ATOM 648 O GLY D 44 -15.752 -1.892 3.894 1.00 0.00 O ATOM 0 H GLY D 44 -12.641 -1.834 6.531 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.286 -3.159 4.667 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.777 -3.590 5.481 1.00 0.00 H new ATOM 652 N TYR D 45 -14.255 -0.445 4.695 1.00 0.00 N ATOM 653 CA TYR D 45 -14.792 0.666 3.926 1.00 0.00 C ATOM 654 C TYR D 45 -13.758 1.121 2.902 1.00 0.00 C ATOM 655 O TYR D 45 -12.557 0.968 3.122 1.00 0.00 O ATOM 656 CB TYR D 45 -15.190 1.841 4.829 1.00 0.00 C ATOM 657 CG TYR D 45 -16.413 1.603 5.713 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.251 2.658 6.074 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.743 0.335 6.174 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.367 2.452 6.858 1.00 0.00 C ATOM 661 CE2 TYR D 45 -17.858 0.122 6.960 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.666 1.184 7.299 1.00 0.00 C ATOM 663 OH TYR D 45 -19.781 0.975 8.077 1.00 0.00 O ATOM 0 H TYR D 45 -13.459 -0.209 5.287 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.693 0.323 3.417 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.343 2.089 5.469 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.380 2.711 4.201 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -17.021 3.657 5.733 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.114 -0.503 5.912 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.003 3.283 7.124 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.095 -0.873 7.307 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.849 0.024 8.303 1.00 0.00 H new ATOM 673 N GLY D 46 -14.221 1.700 1.804 1.00 0.00 N ATOM 674 CA GLY D 46 -13.318 2.203 0.781 1.00 0.00 C ATOM 675 C GLY D 46 -13.044 3.670 0.965 1.00 0.00 C ATOM 676 O GLY D 46 -13.386 4.220 1.998 1.00 0.00 O ATOM 0 H GLY D 46 -15.211 1.832 1.600 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.380 1.649 0.817 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.751 2.033 -0.205 1.00 0.00 H new ATOM 680 N ILE D 47 -12.534 4.327 -0.069 1.00 0.00 N ATOM 681 CA ILE D 47 -12.352 5.781 -0.036 1.00 0.00 C ATOM 682 C ILE D 47 -13.647 6.429 0.380 1.00 0.00 C ATOM 683 O ILE D 47 -13.704 7.243 1.303 1.00 0.00 O ATOM 684 CB ILE D 47 -12.038 6.348 -1.422 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.865 5.644 -2.057 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.765 7.841 -1.350 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.617 5.648 -1.200 1.00 0.00 C ATOM 0 H ILE D 47 -12.239 3.883 -0.939 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.531 5.983 0.652 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.917 6.178 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -11.144 4.613 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.641 6.119 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.545 8.219 -2.348 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.642 8.353 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.912 8.024 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.816 5.124 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.312 6.676 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -9.823 5.146 -0.255 1.00 0.00 H new ATOM 699 N SER D 48 -14.663 6.091 -0.391 1.00 0.00 N ATOM 700 CA SER D 48 -15.989 6.635 -0.237 1.00 0.00 C ATOM 701 C SER D 48 -16.929 5.926 -1.208 1.00 0.00 C ATOM 702 O SER D 48 -17.401 4.820 -0.936 1.00 0.00 O ATOM 703 CB SER D 48 -15.939 8.149 -0.484 1.00 0.00 C ATOM 704 OG SER D 48 -15.398 8.456 -1.763 1.00 0.00 O ATOM 0 H SER D 48 -14.583 5.419 -1.154 1.00 0.00 H new ATOM 0 HA SER D 48 -16.365 6.474 0.773 1.00 0.00 H new ATOM 0 HB2 SER D 48 -16.944 8.564 -0.405 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.336 8.624 0.290 1.00 0.00 H new ATOM 0 HG SER D 48 -15.976 9.105 -2.216 1.00 0.00 H new ATOM 710 N TYR D 49 -16.981 6.455 -2.413 1.00 0.00 N ATOM 711 CA TYR D 49 -17.599 5.791 -3.545 1.00 0.00 C ATOM 712 C TYR D 49 -16.943 6.270 -4.825 1.00 0.00 C ATOM 713 O TYR D 49 -17.440 7.164 -5.509 1.00 0.00 O ATOM 714 CB TYR D 49 -19.118 6.004 -3.574 1.00 0.00 C ATOM 715 CG TYR D 49 -19.603 7.383 -3.116 1.00 0.00 C ATOM 716 CD1 TYR D 49 -20.671 7.512 -2.219 1.00 0.00 C ATOM 717 CD2 TYR D 49 -19.003 8.556 -3.571 1.00 0.00 C ATOM 718 CE1 TYR D 49 -21.109 8.752 -1.802 1.00 0.00 C ATOM 719 CE2 TYR D 49 -19.441 9.797 -3.153 1.00 0.00 C ATOM 720 CZ TYR D 49 -20.492 9.890 -2.271 1.00 0.00 C ATOM 721 OH TYR D 49 -20.928 11.124 -1.849 1.00 0.00 O ATOM 0 H TYR D 49 -16.591 7.370 -2.638 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.444 4.716 -3.447 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.471 5.834 -4.591 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.585 5.247 -2.944 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -21.161 6.624 -1.847 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -18.178 8.493 -4.265 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -21.934 8.830 -1.109 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -18.959 10.692 -3.518 1.00 0.00 H new ATOM 0 HH TYR D 49 -20.388 11.824 -2.271 1.00 0.00 H new ATOM 731 N GLU D 50 -15.747 5.759 -5.064 1.00 0.00 N ATOM 732 CA GLU D 50 -14.926 6.230 -6.163 1.00 0.00 C ATOM 733 C GLU D 50 -14.253 5.093 -6.913 1.00 0.00 C ATOM 734 O GLU D 50 -14.543 3.924 -6.672 1.00 0.00 O ATOM 735 CB GLU D 50 -13.851 7.171 -5.632 1.00 0.00 C ATOM 736 CG GLU D 50 -14.338 8.570 -5.323 1.00 0.00 C ATOM 737 CD GLU D 50 -14.802 9.319 -6.552 1.00 0.00 C ATOM 738 OE1 GLU D 50 -15.759 8.871 -7.209 1.00 0.00 O ATOM 739 OE2 GLU D 50 -14.202 10.361 -6.864 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.323 5.016 -4.509 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.587 6.747 -6.858 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.424 6.740 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -13.047 7.234 -6.365 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -15.158 8.513 -4.607 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -13.535 9.131 -4.844 1.00 0.00 H new ATOM 746 N ASP D 51 -13.254 5.460 -7.718 1.00 0.00 N ATOM 747 CA ASP D 51 -12.400 4.489 -8.405 1.00 0.00 C ATOM 748 C ASP D 51 -10.945 4.903 -8.376 1.00 0.00 C ATOM 749 O ASP D 51 -10.590 6.032 -8.718 1.00 0.00 O ATOM 750 CB ASP D 51 -12.859 4.241 -9.840 1.00 0.00 C ATOM 751 CG ASP D 51 -11.823 3.487 -10.648 1.00 0.00 C ATOM 752 OD1 ASP D 51 -11.485 2.349 -10.272 1.00 0.00 O ATOM 753 OD2 ASP D 51 -11.338 4.039 -11.655 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.015 6.433 -7.911 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.494 3.551 -7.858 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -13.791 3.676 -9.829 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -13.070 5.195 -10.323 1.00 0.00 H new ATOM 758 N LYS D 52 -10.119 3.969 -7.929 1.00 0.00 N ATOM 759 CA LYS D 52 -8.694 4.167 -7.789 1.00 0.00 C ATOM 760 C LYS D 52 -7.970 2.892 -8.153 1.00 0.00 C ATOM 761 O LYS D 52 -8.153 1.873 -7.496 1.00 0.00 O ATOM 762 CB LYS D 52 -8.316 4.548 -6.360 1.00 0.00 C ATOM 763 CG LYS D 52 -8.719 5.942 -5.924 1.00 0.00 C ATOM 764 CD LYS D 52 -10.191 6.062 -5.566 1.00 0.00 C ATOM 765 CE LYS D 52 -10.566 7.521 -5.358 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.695 8.192 -4.351 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.431 3.039 -7.650 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.406 4.981 -8.455 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.771 3.828 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.236 4.451 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -8.118 6.233 -5.062 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.489 6.645 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.802 5.632 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.400 5.493 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.494 8.051 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -11.605 7.584 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.256 8.883 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.305 7.481 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.916 8.681 -4.837 1.00 0.00 H new ATOM 780 N ASN D 53 -7.091 2.956 -9.131 1.00 0.00 N ATOM 781 CA ASN D 53 -6.285 1.798 -9.469 1.00 0.00 C ATOM 782 C ASN D 53 -4.918 1.925 -8.841 1.00 0.00 C ATOM 783 O ASN D 53 -4.336 3.011 -8.807 1.00 0.00 O ATOM 784 CB ASN D 53 -6.179 1.600 -10.981 1.00 0.00 C ATOM 785 CG ASN D 53 -7.494 1.168 -11.608 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.559 0.911 -12.810 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.558 1.099 -10.810 1.00 0.00 N ATOM 0 H ASN D 53 -6.916 3.784 -9.700 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.778 0.912 -9.069 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.849 2.530 -11.443 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.416 0.851 -11.193 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.464 0.826 -11.191 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.467 1.319 -9.818 1.00 0.00 H new ATOM 794 N TRP D 54 -4.481 0.854 -8.206 1.00 0.00 N ATOM 795 CA TRP D 54 -3.263 0.889 -7.424 1.00 0.00 C ATOM 796 C TRP D 54 -2.236 -0.114 -7.891 1.00 0.00 C ATOM 797 O TRP D 54 -2.583 -1.212 -8.326 1.00 0.00 O ATOM 798 CB TRP D 54 -3.563 0.629 -5.956 1.00 0.00 C ATOM 799 CG TRP D 54 -3.495 1.866 -5.146 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.273 2.980 -5.225 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.518 2.125 -4.164 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.816 3.924 -4.336 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.732 3.414 -3.678 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.476 1.377 -3.649 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.919 3.968 -2.704 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.692 1.931 -2.678 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.909 3.215 -2.219 1.00 0.00 C ATOM 0 H TRP D 54 -4.952 -0.050 -8.217 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.847 1.887 -7.559 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.556 0.189 -5.862 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.853 -0.099 -5.565 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.119 3.103 -5.885 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -4.219 4.850 -4.192 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.286 0.376 -4.007 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -2.088 4.972 -2.343 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.117 1.351 -2.259 1.00 0.00 H new ATOM 0 HH2 TRP D 54 -0.260 3.624 -1.459 1.00 0.00 H new ATOM 818 N GLY D 55 -0.969 0.206 -7.642 1.00 0.00 N ATOM 819 CA GLY D 55 0.070 -0.752 -7.894 1.00 0.00 C ATOM 820 C GLY D 55 1.104 -0.788 -6.795 1.00 0.00 C ATOM 821 O GLY D 55 1.344 0.195 -6.096 1.00 0.00 O ATOM 0 H GLY D 55 -0.655 1.104 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.372 -1.742 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.558 -0.514 -8.839 1.00 0.00 H new ATOM 825 N ILE D 56 1.752 -1.920 -6.720 1.00 0.00 N ATOM 826 CA ILE D 56 2.850 -2.180 -5.798 1.00 0.00 C ATOM 827 C ILE D 56 4.020 -2.679 -6.630 1.00 0.00 C ATOM 828 O ILE D 56 3.986 -3.802 -7.131 1.00 0.00 O ATOM 829 CB ILE D 56 2.429 -3.247 -4.758 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.250 -2.737 -3.924 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.595 -3.609 -3.853 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.642 -3.795 -3.031 1.00 0.00 C ATOM 0 H ILE D 56 1.531 -2.719 -7.314 1.00 0.00 H new ATOM 0 HA ILE D 56 3.125 -1.278 -5.251 1.00 0.00 H new ATOM 0 HB ILE D 56 2.121 -4.144 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.585 -1.902 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.481 -2.352 -4.594 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.275 -4.360 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.412 -4.008 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.935 -2.719 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.187 -3.365 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.277 -4.621 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.398 -4.163 -2.337 1.00 0.00 H new ATOM 844 N PHE D 57 4.895 -1.759 -7.006 1.00 0.00 N ATOM 845 CA PHE D 57 5.870 -2.053 -8.046 1.00 0.00 C ATOM 846 C PHE D 57 7.194 -2.502 -7.461 1.00 0.00 C ATOM 847 O PHE D 57 7.998 -1.685 -7.020 1.00 0.00 O ATOM 848 CB PHE D 57 6.126 -0.848 -8.963 1.00 0.00 C ATOM 849 CG PHE D 57 4.898 -0.238 -9.586 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.624 -0.437 -10.927 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.034 0.559 -8.846 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.510 0.134 -11.511 1.00 0.00 C ATOM 853 CE2 PHE D 57 2.925 1.126 -9.429 1.00 0.00 C ATOM 854 CZ PHE D 57 2.660 0.915 -10.754 1.00 0.00 C ATOM 0 H PHE D 57 4.951 -0.819 -6.615 1.00 0.00 H new ATOM 0 HA PHE D 57 5.436 -2.861 -8.635 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.641 -0.079 -8.388 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.802 -1.157 -9.760 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.288 -1.045 -11.524 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.236 0.736 -7.800 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.304 -0.030 -12.558 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.261 1.740 -8.839 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.786 1.359 -11.208 1.00 0.00 H new ATOM 864 N VAL D 58 7.471 -3.782 -7.618 1.00 0.00 N ATOM 865 CA VAL D 58 8.769 -4.334 -7.279 1.00 0.00 C ATOM 866 C VAL D 58 9.638 -4.394 -8.531 1.00 0.00 C ATOM 867 O VAL D 58 9.395 -5.215 -9.417 1.00 0.00 O ATOM 868 CB VAL D 58 8.637 -5.752 -6.686 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.997 -6.333 -6.339 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.737 -5.737 -5.463 1.00 0.00 C ATOM 0 H VAL D 58 6.807 -4.465 -7.982 1.00 0.00 H new ATOM 0 HA VAL D 58 9.228 -3.688 -6.530 1.00 0.00 H new ATOM 0 HB VAL D 58 8.184 -6.390 -7.444 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.870 -7.333 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.609 -6.389 -7.239 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.489 -5.695 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.656 -6.746 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.161 -5.076 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.747 -5.378 -5.744 1.00 0.00 H new ATOM 880 N ASN D 59 10.614 -3.491 -8.624 1.00 0.00 N ATOM 881 CA ASN D 59 11.495 -3.402 -9.798 1.00 0.00 C ATOM 882 C ASN D 59 10.704 -3.099 -11.070 1.00 0.00 C ATOM 883 O ASN D 59 10.933 -3.711 -12.116 1.00 0.00 O ATOM 884 CB ASN D 59 12.305 -4.694 -9.987 1.00 0.00 C ATOM 885 CG ASN D 59 13.300 -4.955 -8.869 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.984 -5.978 -8.861 1.00 0.00 O ATOM 887 ND2 ASN D 59 13.406 -4.029 -7.929 1.00 0.00 N ATOM 0 H ASN D 59 10.819 -2.805 -7.898 1.00 0.00 H new ATOM 0 HA ASN D 59 12.185 -2.579 -9.614 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.618 -5.537 -10.055 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.841 -4.642 -10.935 1.00 0.00 H new ATOM 0 HD21 ASN D 59 14.071 -4.151 -7.166 1.00 0.00 H new ATOM 0 HD22 ASN D 59 12.822 -3.193 -7.968 1.00 0.00 H new ATOM 894 N GLY D 60 9.808 -2.122 -10.987 1.00 0.00 N ATOM 895 CA GLY D 60 9.033 -1.714 -12.143 1.00 0.00 C ATOM 896 C GLY D 60 8.052 -2.773 -12.590 1.00 0.00 C ATOM 897 O GLY D 60 7.965 -3.093 -13.774 1.00 0.00 O ATOM 0 H GLY D 60 9.604 -1.602 -10.133 1.00 0.00 H new ATOM 0 HA2 GLY D 60 8.491 -0.798 -11.907 1.00 0.00 H new ATOM 0 HA3 GLY D 60 9.710 -1.481 -12.965 1.00 0.00 H new ATOM 901 N GLU D 61 7.306 -3.301 -11.636 1.00 0.00 N ATOM 902 CA GLU D 61 6.307 -4.325 -11.912 1.00 0.00 C ATOM 903 C GLU D 61 5.291 -4.378 -10.782 1.00 0.00 C ATOM 904 O GLU D 61 5.659 -4.581 -9.626 1.00 0.00 O ATOM 905 CB GLU D 61 6.974 -5.698 -12.073 1.00 0.00 C ATOM 906 CG GLU D 61 6.000 -6.835 -12.349 1.00 0.00 C ATOM 907 CD GLU D 61 5.239 -6.651 -13.641 1.00 0.00 C ATOM 908 OE1 GLU D 61 5.886 -6.561 -14.699 1.00 0.00 O ATOM 909 OE2 GLU D 61 3.995 -6.597 -13.599 1.00 0.00 O1- ATOM 0 H GLU D 61 7.373 -3.036 -10.653 1.00 0.00 H new ATOM 0 HA GLU D 61 5.799 -4.070 -12.842 1.00 0.00 H new ATOM 0 HB2 GLU D 61 7.695 -5.646 -12.889 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.534 -5.926 -11.166 1.00 0.00 H new ATOM 0 HG2 GLU D 61 6.548 -7.776 -12.386 1.00 0.00 H new ATOM 0 HG3 GLU D 61 5.293 -6.910 -11.523 1.00 0.00 H new ATOM 916 N LYS D 62 4.012 -4.265 -11.121 1.00 0.00 N ATOM 917 CA LYS D 62 2.965 -4.385 -10.118 1.00 0.00 C ATOM 918 C LYS D 62 2.811 -5.835 -9.696 1.00 0.00 C ATOM 919 O LYS D 62 2.269 -6.650 -10.442 1.00 0.00 O ATOM 920 CB LYS D 62 1.615 -3.884 -10.639 1.00 0.00 C ATOM 921 CG LYS D 62 1.606 -2.415 -11.006 1.00 0.00 C ATOM 922 CD LYS D 62 0.219 -1.948 -11.439 1.00 0.00 C ATOM 923 CE LYS D 62 -0.267 -2.674 -12.688 1.00 0.00 C ATOM 924 NZ LYS D 62 0.633 -2.451 -13.853 1.00 0.00 N1+ ATOM 0 H LYS D 62 3.680 -4.093 -12.070 1.00 0.00 H new ATOM 0 HA LYS D 62 3.262 -3.769 -9.269 1.00 0.00 H new ATOM 0 HB2 LYS D 62 1.335 -4.469 -11.515 1.00 0.00 H new ATOM 0 HB3 LYS D 62 0.854 -4.063 -9.879 1.00 0.00 H new ATOM 0 HG2 LYS D 62 1.938 -1.825 -10.152 1.00 0.00 H new ATOM 0 HG3 LYS D 62 2.318 -2.237 -11.812 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.488 -2.113 -10.626 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.241 -0.875 -11.630 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -0.335 -3.742 -12.482 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.272 -2.333 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 0.182 -2.817 -14.715 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 0.813 -1.433 -13.962 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 1.533 -2.947 -13.696 1.00 0.00 H new ATOM 938 N VAL D 63 3.216 -6.136 -8.478 1.00 0.00 N ATOM 939 CA VAL D 63 3.042 -7.473 -7.938 1.00 0.00 C ATOM 940 C VAL D 63 1.637 -7.650 -7.375 1.00 0.00 C ATOM 941 O VAL D 63 1.186 -8.772 -7.135 1.00 0.00 O ATOM 942 CB VAL D 63 4.091 -7.797 -6.870 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.489 -7.740 -7.466 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.978 -6.860 -5.678 1.00 0.00 C ATOM 0 H VAL D 63 3.667 -5.476 -7.844 1.00 0.00 H new ATOM 0 HA VAL D 63 3.181 -8.175 -8.760 1.00 0.00 H new ATOM 0 HB VAL D 63 3.904 -8.810 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL D 63 6.223 -7.973 -6.695 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.570 -8.467 -8.275 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.678 -6.740 -7.857 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.737 -7.118 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL D 63 4.127 -5.832 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL D 63 2.989 -6.958 -5.231 1.00 0.00 H new ATOM 954 N TYR D 64 0.913 -6.539 -7.264 1.00 0.00 N ATOM 955 CA TYR D 64 -0.479 -6.572 -6.849 1.00 0.00 C ATOM 956 C TYR D 64 -1.193 -5.301 -7.294 1.00 0.00 C ATOM 957 O TYR D 64 -0.663 -4.199 -7.144 1.00 0.00 O ATOM 958 CB TYR D 64 -0.592 -6.721 -5.332 1.00 0.00 C ATOM 959 CG TYR D 64 -2.015 -6.959 -4.868 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.829 -7.876 -5.522 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.550 -6.265 -3.790 1.00 0.00 C ATOM 962 CE1 TYR D 64 -4.130 -8.094 -5.118 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.852 -6.483 -3.378 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.635 -7.396 -4.045 1.00 0.00 C ATOM 965 OH TYR D 64 -5.933 -7.606 -3.641 1.00 0.00 O ATOM 0 H TYR D 64 1.272 -5.604 -7.457 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.951 -7.434 -7.320 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.035 -7.551 -5.006 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.205 -5.821 -4.854 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.436 -8.429 -6.362 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -1.940 -5.544 -3.266 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.749 -8.808 -5.641 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.252 -5.938 -2.536 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.132 -7.035 -2.869 1.00 0.00 H new ATOM 975 N THR D 65 -2.412 -5.458 -7.790 1.00 0.00 N ATOM 976 CA THR D 65 -3.225 -4.324 -8.196 1.00 0.00 C ATOM 977 C THR D 65 -4.550 -4.330 -7.440 1.00 0.00 C ATOM 978 O THR D 65 -5.393 -5.202 -7.658 1.00 0.00 O ATOM 979 CB THR D 65 -3.468 -4.358 -9.690 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.241 -4.380 -10.405 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.283 -3.186 -10.209 1.00 0.00 C ATOM 0 H THR D 65 -2.860 -6.365 -7.921 1.00 0.00 H new ATOM 0 HA THR D 65 -2.690 -3.405 -7.955 1.00 0.00 H new ATOM 0 HB THR D 65 -4.040 -5.271 -9.856 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.424 -4.404 -11.368 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.414 -3.283 -11.287 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.259 -3.179 -9.724 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.762 -2.254 -9.989 1.00 0.00 H new ATOM 989 N PHE D 66 -4.754 -3.337 -6.583 1.00 0.00 N ATOM 990 CA PHE D 66 -6.008 -3.220 -5.849 1.00 0.00 C ATOM 991 C PHE D 66 -6.675 -1.902 -6.169 1.00 0.00 C ATOM 992 O PHE D 66 -6.043 -0.976 -6.673 1.00 0.00 O ATOM 993 CB PHE D 66 -5.803 -3.412 -4.340 1.00 0.00 C ATOM 994 CG PHE D 66 -4.947 -2.391 -3.627 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.413 -1.107 -3.392 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.684 -2.734 -3.158 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.644 -0.188 -2.705 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.907 -1.814 -2.475 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.388 -0.540 -2.246 1.00 0.00 C ATOM 0 H PHE D 66 -4.072 -2.606 -6.380 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.672 -4.022 -6.171 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.784 -3.423 -3.864 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.360 -4.395 -4.181 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.391 -0.821 -3.751 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -3.304 -3.731 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -5.024 0.807 -2.526 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -1.925 -2.093 -2.121 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.786 0.179 -1.710 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.969 -1.861 -5.980 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.755 -0.703 -6.344 1.00 0.00 C ATOM 1011 C ASN D 67 -9.494 -0.198 -5.127 1.00 0.00 C ATOM 1012 O ASN D 67 -10.025 -0.994 -4.371 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.731 -1.068 -7.471 1.00 0.00 C ATOM 1014 CG ASN D 67 -10.620 -2.252 -7.123 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -10.134 -3.335 -6.800 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -11.925 -2.065 -7.216 1.00 0.00 N ATOM 0 H ASN D 67 -8.509 -2.624 -5.571 1.00 0.00 H new ATOM 0 HA ASN D 67 -8.101 0.089 -6.707 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.356 -0.204 -7.697 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -9.166 -1.297 -8.374 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -12.566 -2.833 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -12.291 -1.152 -7.487 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.469 1.110 -4.892 1.00 0.00 N ATOM 1024 CA GLU D 68 -10.093 1.667 -3.692 1.00 0.00 C ATOM 1025 C GLU D 68 -11.610 1.530 -3.741 1.00 0.00 C ATOM 1026 O GLU D 68 -12.282 1.632 -2.713 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.710 3.124 -3.475 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.211 3.384 -3.379 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.533 2.616 -2.262 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -6.304 2.757 -2.124 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -8.229 1.900 -1.516 1.00 0.00 O1- ATOM 0 H GLU D 68 -9.031 1.797 -5.505 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.716 1.089 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.116 3.717 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.185 3.477 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.743 3.119 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.044 4.451 -3.229 1.00 0.00 H new ATOM 1038 N LYS D 69 -12.115 1.107 -4.896 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.511 0.715 -5.010 1.00 0.00 C ATOM 1040 C LYS D 69 -13.707 -0.482 -4.116 1.00 0.00 C ATOM 1041 O LYS D 69 -14.564 -0.487 -3.230 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.839 0.303 -6.430 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.463 1.343 -7.456 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.811 0.893 -8.866 1.00 0.00 C ATOM 1045 CE LYS D 69 -15.307 0.682 -9.048 1.00 0.00 C ATOM 1046 NZ LYS D 69 -15.638 0.249 -10.431 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.580 1.028 -5.761 1.00 0.00 H new ATOM 0 HA LYS D 69 -14.154 1.550 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -13.320 -0.628 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.907 0.099 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.980 2.277 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.394 1.547 -7.392 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -13.461 1.638 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -13.285 -0.035 -9.090 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.658 -0.068 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -15.835 1.608 -8.821 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -16.666 0.115 -10.516 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -15.326 0.976 -11.106 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -15.154 -0.648 -10.639 1.00 0.00 H new ATOM 1060 N SER D 70 -12.736 -1.389 -4.216 1.00 0.00 N ATOM 1061 CA SER D 70 -12.614 -2.462 -3.271 1.00 0.00 C ATOM 1062 C SER D 70 -12.311 -1.852 -1.919 1.00 0.00 C ATOM 1063 O SER D 70 -11.367 -1.081 -1.781 1.00 0.00 O ATOM 1064 CB SER D 70 -11.509 -3.446 -3.666 1.00 0.00 C ATOM 1065 OG SER D 70 -11.497 -4.572 -2.799 1.00 0.00 O ATOM 0 H SER D 70 -12.028 -1.389 -4.950 1.00 0.00 H new ATOM 0 HA SER D 70 -13.545 -3.028 -3.245 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.661 -3.775 -4.694 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.541 -2.945 -3.631 1.00 0.00 H new ATOM 0 HG SER D 70 -10.785 -5.187 -3.072 1.00 0.00 H new ATOM 1071 N THR D 71 -13.109 -2.186 -0.935 1.00 0.00 N ATOM 1072 CA THR D 71 -12.910 -1.676 0.404 1.00 0.00 C ATOM 1073 C THR D 71 -11.502 -2.007 0.873 1.00 0.00 C ATOM 1074 O THR D 71 -11.071 -3.154 0.743 1.00 0.00 O ATOM 1075 CB THR D 71 -13.929 -2.309 1.321 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.808 -3.720 1.313 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.356 -1.966 0.950 1.00 0.00 C ATOM 0 H THR D 71 -13.908 -2.812 -1.035 1.00 0.00 H new ATOM 0 HA THR D 71 -13.034 -0.593 0.415 1.00 0.00 H new ATOM 0 HB THR D 71 -13.719 -1.905 2.311 1.00 0.00 H new ATOM 0 HG1 THR D 71 -13.911 -4.062 2.225 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.040 -2.451 1.647 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.495 -0.886 0.998 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.562 -2.314 -0.062 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.762 -1.007 1.364 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.397 -1.218 1.783 1.00 0.00 C ATOM 1087 C VAL D 72 -9.325 -2.306 2.848 1.00 0.00 C ATOM 1088 O VAL D 72 -8.282 -2.923 3.058 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.696 0.071 2.266 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.387 0.199 1.524 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.546 1.320 2.018 1.00 0.00 C ATOM 0 H VAL D 72 -11.096 -0.050 1.476 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.851 -1.545 0.898 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.538 -0.003 3.342 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -6.872 1.103 1.848 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.763 -0.669 1.735 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.580 0.256 0.453 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.011 2.201 2.374 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.741 1.421 0.950 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.491 1.229 2.553 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.495 -2.640 3.390 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.637 -3.760 4.275 1.00 0.00 C ATOM 1103 C GLY D 73 -10.425 -5.076 3.579 1.00 0.00 C ATOM 1104 O GLY D 73 -9.474 -5.789 3.880 1.00 0.00 O ATOM 0 H GLY D 73 -11.363 -2.132 3.218 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.922 -3.666 5.092 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.632 -3.744 4.719 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.294 -5.387 2.618 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.159 -6.628 1.854 1.00 0.00 C ATOM 1110 C ASN D 74 -9.885 -6.631 1.026 1.00 0.00 C ATOM 1111 O ASN D 74 -9.342 -7.690 0.720 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.371 -6.872 0.953 1.00 0.00 C ATOM 1113 CG ASN D 74 -13.619 -7.200 1.746 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -13.653 -8.186 2.482 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.653 -6.386 1.604 1.00 0.00 N ATOM 0 H ASN D 74 -12.089 -4.806 2.352 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.105 -7.441 2.578 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.552 -5.987 0.344 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.153 -7.691 0.268 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.518 -6.566 2.115 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.585 -5.579 0.984 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.335 -5.451 0.790 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.033 -5.350 0.134 1.00 0.00 C ATOM 1124 C ILE D 75 -6.931 -5.765 1.104 1.00 0.00 C ATOM 1125 O ILE D 75 -5.995 -6.457 0.724 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.735 -3.926 -0.358 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.778 -3.415 -1.374 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.338 -3.853 -0.952 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.523 -1.982 -1.784 1.00 0.00 C ATOM 0 H ILE D 75 -9.760 -4.557 1.038 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.062 -6.013 -0.731 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.794 -3.272 0.512 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.763 -4.052 -2.258 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.775 -3.495 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.142 -2.838 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.605 -4.127 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.264 -4.542 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.283 -1.668 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.565 -1.339 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.538 -1.905 -2.244 1.00 0.00 H new ATOM 1141 N SER D 76 -7.044 -5.346 2.359 1.00 0.00 N ATOM 1142 CA SER D 76 -6.045 -5.697 3.362 1.00 0.00 C ATOM 1143 C SER D 76 -6.198 -7.141 3.801 1.00 0.00 C ATOM 1144 O SER D 76 -5.201 -7.798 4.082 1.00 0.00 O ATOM 1145 CB SER D 76 -6.105 -4.758 4.564 1.00 0.00 C ATOM 1146 OG SER D 76 -5.175 -5.134 5.565 1.00 0.00 O ATOM 0 H SER D 76 -7.810 -4.768 2.705 1.00 0.00 H new ATOM 0 HA SER D 76 -5.065 -5.583 2.900 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.900 -3.738 4.240 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.112 -4.764 4.981 1.00 0.00 H new ATOM 0 HG SER D 76 -5.584 -5.025 6.449 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.392 -7.698 3.619 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.549 -9.138 3.752 1.00 0.00 C ATOM 1154 C ASN D 77 -6.687 -9.826 2.712 1.00 0.00 C ATOM 1155 O ASN D 77 -6.221 -10.938 2.930 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.007 -9.586 3.598 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.864 -9.248 4.802 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -10.039 -8.085 5.160 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -10.410 -10.276 5.437 1.00 0.00 N ATOM 0 H ASN D 77 -8.244 -7.188 3.385 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.235 -9.417 4.758 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.434 -9.115 2.712 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.034 -10.663 3.431 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -10.999 -10.116 6.254 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -10.241 -11.227 5.109 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.409 -9.110 1.619 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.515 -9.597 0.574 1.00 0.00 C ATOM 1168 C ASP D 78 -4.058 -9.208 0.811 1.00 0.00 C ATOM 1169 O ASP D 78 -3.157 -9.878 0.317 1.00 0.00 O ATOM 1170 CB ASP D 78 -5.965 -9.101 -0.802 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.158 -9.863 -1.330 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.201 -9.897 -0.652 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.054 -10.431 -2.434 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.796 -8.184 1.438 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.572 -10.685 0.607 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.213 -8.042 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.138 -9.193 -1.506 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.809 -8.110 1.506 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.434 -7.663 1.701 1.00 0.00 C ATOM 1180 C ILE D 79 -1.686 -8.628 2.616 1.00 0.00 C ATOM 1181 O ILE D 79 -0.479 -8.831 2.470 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.345 -6.231 2.306 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.225 -5.251 1.538 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.907 -5.739 2.253 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -2.758 -5.003 0.125 1.00 0.00 C ATOM 0 H ILE D 79 -4.521 -7.521 1.937 1.00 0.00 H new ATOM 0 HA ILE D 79 -1.977 -7.641 0.712 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.692 -6.283 3.338 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -4.245 -5.634 1.513 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -3.253 -4.303 2.075 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.850 -4.737 2.677 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.271 -6.413 2.826 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.569 -5.714 1.217 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.430 -4.296 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -1.749 -4.591 0.142 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.757 -5.942 -0.428 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.400 -9.187 3.584 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.803 -10.078 4.558 1.00 0.00 C ATOM 1199 C ASN D 80 -1.325 -11.381 3.933 1.00 0.00 C ATOM 1200 O ASN D 80 -0.294 -11.916 4.347 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.780 -10.352 5.695 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.014 -9.135 6.572 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -3.492 -8.100 6.117 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -2.664 -9.247 7.842 1.00 0.00 N ATOM 0 H ASN D 80 -3.400 -9.035 3.712 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.922 -9.577 4.959 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.731 -10.683 5.279 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.398 -11.169 6.308 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -2.788 -8.458 8.477 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -2.270 -10.122 8.187 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.006 -11.859 2.890 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.530 -13.049 2.201 1.00 0.00 C ATOM 1213 C LYS D 81 -0.359 -12.718 1.287 1.00 0.00 C ATOM 1214 O LYS D 81 0.713 -13.306 1.413 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.626 -13.771 1.412 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.452 -12.886 0.511 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.783 -12.589 1.150 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.628 -13.843 1.312 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.947 -13.549 1.933 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.863 -11.452 2.516 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.198 -13.734 2.981 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.163 -14.550 0.806 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.292 -14.269 2.117 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -2.919 -11.956 0.315 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -3.604 -13.375 -0.451 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.623 -12.131 2.126 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.323 -11.863 0.542 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.781 -14.305 0.337 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -5.091 -14.565 1.927 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -7.157 -14.265 2.658 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.921 -12.607 2.373 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -7.687 -13.569 1.202 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.557 -11.737 0.404 1.00 0.00 N ATOM 1234 CA LEU D 82 0.483 -11.263 -0.505 1.00 0.00 C ATOM 1235 C LEU D 82 1.810 -11.013 0.211 1.00 0.00 C ATOM 1236 O LEU D 82 2.877 -11.231 -0.365 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.006 -10.000 -1.187 1.00 0.00 C ATOM 1238 CG LEU D 82 -0.926 -10.230 -2.388 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.120 -10.667 -3.599 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -1.997 -11.270 -2.108 1.00 0.00 C ATOM 0 H LEU D 82 -1.447 -11.249 0.301 1.00 0.00 H new ATOM 0 HA LEU D 82 0.675 -12.039 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.535 -9.391 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.859 -9.424 -1.516 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.420 -9.279 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -0.790 -10.826 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.605 -9.894 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU D 82 0.404 -11.595 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -2.622 -11.395 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -1.525 -12.221 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.613 -10.941 -1.271 1.00 0.00 H new ATOM 1252 N ASN D 83 1.705 -10.600 1.481 1.00 0.00 N ATOM 1253 CA ASN D 83 2.851 -10.339 2.369 1.00 0.00 C ATOM 1254 C ASN D 83 4.004 -9.698 1.597 1.00 0.00 C ATOM 1255 O ASN D 83 5.073 -10.292 1.454 1.00 0.00 O ATOM 1256 CB ASN D 83 3.340 -11.634 3.025 1.00 0.00 C ATOM 1257 CG ASN D 83 4.132 -11.374 4.295 1.00 0.00 C ATOM 1258 OD1 ASN D 83 3.560 -11.031 5.330 1.00 0.00 O ATOM 1259 ND2 ASN D 83 5.449 -11.453 4.212 1.00 0.00 N ATOM 0 H ASN D 83 0.805 -10.434 1.931 1.00 0.00 H new ATOM 0 HA ASN D 83 2.514 -9.651 3.144 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.483 -12.267 3.257 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.961 -12.184 2.318 1.00 0.00 H new ATOM 0 HD21 ASN D 83 6.026 -11.226 5.022 1.00 0.00 H new ATOM 0 HD22 ASN D 83 5.889 -11.741 3.338 1.00 0.00 H new ATOM 1266 N ILE D 84 3.735 -8.557 0.981 1.00 0.00 N ATOM 1267 CA ILE D 84 4.699 -7.939 0.088 1.00 0.00 C ATOM 1268 C ILE D 84 5.770 -7.168 0.853 1.00 0.00 C ATOM 1269 O ILE D 84 5.536 -6.055 1.322 1.00 0.00 O ATOM 1270 CB ILE D 84 3.999 -7.008 -0.917 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.912 -7.779 -1.666 1.00 0.00 C ATOM 1272 CG2 ILE D 84 5.005 -6.422 -1.900 1.00 0.00 C ATOM 1273 CD1 ILE D 84 2.144 -6.933 -2.653 1.00 0.00 C ATOM 0 H ILE D 84 2.860 -8.043 1.083 1.00 0.00 H new ATOM 0 HA ILE D 84 5.190 -8.745 -0.457 1.00 0.00 H new ATOM 0 HB ILE D 84 3.540 -6.185 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE D 84 3.370 -8.615 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.215 -8.203 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.489 -5.767 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.756 -5.850 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.491 -7.229 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.390 -7.545 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.657 -6.112 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE D 84 2.830 -6.530 -3.398 1.00 0.00 H new ATOM 1285 N LYS D 85 6.960 -7.751 0.932 1.00 0.00 N ATOM 1286 CA LYS D 85 8.087 -7.106 1.591 1.00 0.00 C ATOM 1287 C LYS D 85 9.401 -7.305 0.826 1.00 0.00 C ATOM 1288 O LYS D 85 10.178 -8.216 1.101 1.00 0.00 O ATOM 1289 CB LYS D 85 8.190 -7.574 3.059 1.00 0.00 C ATOM 1290 CG LYS D 85 7.711 -9.012 3.325 1.00 0.00 C ATOM 1291 CD LYS D 85 8.486 -10.100 2.580 1.00 0.00 C ATOM 1292 CE LYS D 85 9.889 -10.329 3.138 1.00 0.00 C ATOM 1293 NZ LYS D 85 10.576 -11.453 2.449 1.00 0.00 N1+ ATOM 0 H LYS D 85 7.169 -8.672 0.546 1.00 0.00 H new ATOM 0 HA LYS D 85 7.903 -6.032 1.592 1.00 0.00 H new ATOM 0 HB2 LYS D 85 9.229 -7.490 3.378 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.609 -6.894 3.682 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.776 -9.209 4.395 1.00 0.00 H new ATOM 0 HG3 LYS D 85 6.658 -9.085 3.051 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.926 -11.034 2.629 1.00 0.00 H new ATOM 0 HD3 LYS D 85 8.561 -9.828 1.527 1.00 0.00 H new ATOM 0 HE2 LYS D 85 10.478 -9.419 3.027 1.00 0.00 H new ATOM 0 HE3 LYS D 85 9.827 -10.540 4.206 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 11.526 -11.580 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 10.026 -12.326 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 10.658 -11.240 1.434 1.00 0.00 H new ATOM 1307 N GLY D 86 9.703 -6.343 -0.033 1.00 0.00 N ATOM 1308 CA GLY D 86 10.983 -6.313 -0.722 1.00 0.00 C ATOM 1309 C GLY D 86 11.103 -7.311 -1.848 1.00 0.00 C ATOM 1310 O GLY D 86 10.442 -8.355 -1.848 1.00 0.00 O ATOM 0 H GLY D 86 9.078 -5.572 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.145 -5.311 -1.120 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.777 -6.501 0.001 1.00 0.00 H new ATOM 1314 N PRO D 87 11.953 -7.003 -2.840 1.00 0.00 N ATOM 1315 CA PRO D 87 12.750 -5.769 -2.863 1.00 0.00 C ATOM 1316 C PRO D 87 12.033 -4.598 -3.546 1.00 0.00 C ATOM 1317 O PRO D 87 10.907 -4.766 -3.996 1.00 0.00 O ATOM 1318 CB PRO D 87 13.962 -6.211 -3.666 1.00 0.00 C ATOM 1319 CG PRO D 87 13.418 -7.169 -4.673 1.00 0.00 C ATOM 1320 CD PRO D 87 12.220 -7.840 -4.025 1.00 0.00 C ATOM 0 HA PRO D 87 12.971 -5.387 -1.866 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.449 -5.363 -4.148 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.708 -6.687 -3.029 1.00 0.00 H new ATOM 0 HG2 PRO D 87 13.125 -6.649 -5.585 1.00 0.00 H new ATOM 0 HG3 PRO D 87 14.171 -7.906 -4.954 1.00 0.00 H new ATOM 0 HD2 PRO D 87 11.363 -7.867 -4.698 1.00 0.00 H new ATOM 0 HD3 PRO D 87 12.440 -8.871 -3.747 1.00 0.00 H new ATOM 1328 N TYR D 88 12.718 -3.432 -3.608 1.00 0.00 N ATOM 1329 CA TYR D 88 12.211 -2.180 -4.237 1.00 0.00 C ATOM 1330 C TYR D 88 10.695 -2.128 -4.373 1.00 0.00 C ATOM 1331 O TYR D 88 10.138 -2.650 -5.337 1.00 0.00 O ATOM 1332 CB TYR D 88 12.820 -1.978 -5.626 1.00 0.00 C ATOM 1333 CG TYR D 88 14.306 -1.695 -5.639 1.00 0.00 C ATOM 1334 CD1 TYR D 88 14.800 -0.603 -6.337 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.211 -2.510 -4.974 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.150 -0.327 -6.370 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.567 -2.240 -5.001 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.030 -1.146 -5.702 1.00 0.00 C ATOM 1339 OH TYR D 88 18.377 -0.866 -5.733 1.00 0.00 O ATOM 0 H TYR D 88 13.654 -3.329 -3.217 1.00 0.00 H new ATOM 0 HA TYR D 88 12.515 -1.384 -3.558 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.630 -2.870 -6.222 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.304 -1.152 -6.116 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.114 0.043 -6.865 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.851 -3.369 -4.427 1.00 0.00 H new ATOM 0 HE1 TYR D 88 16.515 0.529 -6.918 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.259 -2.882 -4.476 1.00 0.00 H new ATOM 0 HH TYR D 88 18.863 -1.538 -5.211 1.00 0.00 H new ATOM 1349 N ILE D 89 10.024 -1.542 -3.396 1.00 0.00 N ATOM 1350 CA ILE D 89 8.572 -1.505 -3.413 1.00 0.00 C ATOM 1351 C ILE D 89 8.063 -0.105 -3.645 1.00 0.00 C ATOM 1352 O ILE D 89 8.392 0.819 -2.899 1.00 0.00 O ATOM 1353 CB ILE D 89 7.954 -2.022 -2.095 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.641 -3.308 -1.663 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.468 -2.268 -2.260 1.00 0.00 C ATOM 1356 CD1 ILE D 89 9.930 -3.069 -0.907 1.00 0.00 C ATOM 0 H ILE D 89 10.455 -1.090 -2.590 1.00 0.00 H new ATOM 0 HA ILE D 89 8.271 -2.159 -4.231 1.00 0.00 H new ATOM 0 HB ILE D 89 8.100 -1.261 -1.329 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.960 -3.883 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE D 89 8.851 -3.914 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.053 -2.632 -1.320 1.00 0.00 H new ATOM 0 HG22 ILE D 89 5.974 -1.337 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.307 -3.012 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE D 89 10.371 -4.026 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE D 89 10.627 -2.520 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE D 89 9.722 -2.489 -0.008 1.00 0.00 H new ATOM 1368 N GLU D 90 7.103 -0.004 -4.533 1.00 0.00 N ATOM 1369 CA GLU D 90 6.360 1.242 -4.691 1.00 0.00 C ATOM 1370 C GLU D 90 4.865 0.982 -4.623 1.00 0.00 C ATOM 1371 O GLU D 90 4.238 0.633 -5.622 1.00 0.00 O ATOM 1372 CB GLU D 90 6.706 1.958 -5.997 1.00 0.00 C ATOM 1373 CG GLU D 90 8.170 2.344 -6.116 1.00 0.00 C ATOM 1374 CD GLU D 90 8.458 3.110 -7.381 1.00 0.00 C ATOM 1375 OE1 GLU D 90 7.865 4.190 -7.568 1.00 0.00 O ATOM 1376 OE2 GLU D 90 9.274 2.635 -8.190 1.00 0.00 O1- ATOM 0 H GLU D 90 6.813 -0.757 -5.156 1.00 0.00 H new ATOM 0 HA GLU D 90 6.652 1.895 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.441 1.313 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.095 2.857 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.455 2.948 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.784 1.444 -6.091 1.00 0.00 H new ATOM 1383 N ILE D 91 4.302 1.179 -3.443 1.00 0.00 N ATOM 1384 CA ILE D 91 2.879 1.000 -3.226 1.00 0.00 C ATOM 1385 C ILE D 91 2.208 2.375 -3.347 1.00 0.00 C ATOM 1386 O ILE D 91 2.391 3.243 -2.489 1.00 0.00 O ATOM 1387 CB ILE D 91 2.617 0.389 -1.824 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.661 -0.666 -1.494 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.254 -0.279 -1.745 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.469 -1.277 -0.122 1.00 0.00 C ATOM 0 H ILE D 91 4.818 1.467 -2.611 1.00 0.00 H new ATOM 0 HA ILE D 91 2.468 0.314 -3.966 1.00 0.00 H new ATOM 0 HB ILE D 91 2.663 1.215 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.623 -1.454 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.653 -0.218 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.109 -0.694 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.476 0.457 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.198 -1.079 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.244 -2.023 0.056 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.535 -0.497 0.636 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.489 -1.752 -0.069 1.00 0.00 H new ATOM 1402 N LYS D 92 1.516 2.599 -4.466 1.00 0.00 N ATOM 1403 CA LYS D 92 0.912 3.894 -4.785 1.00 0.00 C ATOM 1404 C LYS D 92 -0.163 3.763 -5.848 1.00 0.00 C ATOM 1405 O LYS D 92 -0.277 2.729 -6.507 1.00 0.00 O ATOM 1406 CB LYS D 92 1.982 4.888 -5.247 1.00 0.00 C ATOM 1407 CG LYS D 92 3.127 4.263 -6.037 1.00 0.00 C ATOM 1408 CD LYS D 92 2.693 3.467 -7.260 1.00 0.00 C ATOM 1409 CE LYS D 92 2.033 4.323 -8.330 1.00 0.00 C ATOM 1410 NZ LYS D 92 2.934 5.397 -8.822 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.358 1.886 -5.178 1.00 0.00 H new ATOM 0 HA LYS D 92 0.444 4.268 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.508 5.653 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS D 92 2.393 5.392 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS D 92 3.805 5.054 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.692 3.607 -5.375 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.563 2.969 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS D 92 1.999 2.686 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS D 92 1.734 3.691 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS D 92 1.124 4.770 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 2.521 5.835 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 3.050 6.119 -8.082 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.862 4.991 -9.058 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.906 4.838 -6.070 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.907 4.828 -7.123 1.00 0.00 C ATOM 1426 C GLN D 93 -1.337 5.299 -8.436 1.00 0.00 C ATOM 1427 O GLN D 93 -0.279 5.918 -8.494 1.00 0.00 O ATOM 1428 CB GLN D 93 -3.138 5.640 -6.780 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.840 7.087 -6.469 1.00 0.00 C ATOM 1430 CD GLN D 93 -4.061 7.852 -5.994 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -3.987 9.046 -5.708 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -5.193 7.167 -5.905 1.00 0.00 N ATOM 0 H GLN D 93 -0.837 5.711 -5.546 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.216 3.787 -7.220 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.838 5.593 -7.614 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.634 5.187 -5.922 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -2.066 7.137 -5.703 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.439 7.570 -7.360 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -5.211 6.178 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -6.046 7.630 -5.590 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.979 4.854 -9.484 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.499 5.037 -10.832 1.00 0.00 C ATOM 1443 C ILE D 94 -2.527 5.747 -11.702 1.00 0.00 C ATOM 1444 O ILE D 94 -2.396 5.698 -12.938 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.178 3.667 -11.411 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.341 2.729 -11.122 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.106 3.120 -10.823 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.142 1.322 -11.604 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.455 6.355 -11.138 1.00 0.00 O ATOM 0 H ILE D 94 -2.862 4.347 -9.426 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.608 5.664 -10.812 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.035 3.754 -12.488 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.517 2.709 -10.046 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.241 3.134 -11.585 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.314 2.140 -11.252 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.928 3.798 -11.051 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.001 3.028 -9.742 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.019 0.725 -11.356 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.999 1.324 -12.685 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.263 0.893 -11.123 1.00 0.00 H new TER 1461 ILE D 94