USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 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 25:sc= 0.865 USER MOD Set 1.2: D 74 ASN : amide:sc= 0.473 K(o=1.3,f=0.68) USER MOD Set 2.1: D 35 GLN : amide:sc= -1.87! C(o=-6.4!,f=-9.1!) USER MOD Set 2.2: D 83 ASN : amide:sc= -4.54! K(o=-6.4!,f=-2.3) USER MOD Single : D 1 ASP N :NH3+ 179:sc= 0.299 (180deg=0.295) USER MOD Single : D 2 ASN : amide:sc= -2.05! C(o=-2!,f=-4.3!) USER MOD Single : D 3 GLN : amide:sc= -0.635 K(o=-0.63,f=-2.8!) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 9 GLN : amide:sc= -4.01! C(o=-4!,f=-3.7!) USER MOD Single : D 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 11 ASN : amide:sc= -1.93! K(o=-1.9!,f=-0.029) USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN : amide:sc= -2.05! K(o=-2!,f=-0.037) USER MOD Single : D 15 SER OG : rot 180:sc= 0 USER MOD Single : D 17 ASN : amide:sc= -3.17! C(o=-3.2!,f=-14!) USER MOD Single : D 19 LYS NZ :NH3+ 165:sc= -0.225 (180deg=-0.565) USER MOD Single : D 21 ASN : amide:sc= -3.49! K(o=-3.5!,f=-0.71) USER MOD Single : D 22 LYS NZ :NH3+ -161:sc= -0.0902 (180deg=-0.502) USER MOD Single : D 24 LYS NZ :NH3+ -153:sc= 0.0082 (180deg=0) USER MOD Single : D 26 LYS NZ :NH3+ -132:sc= -2.29! (180deg=-4.84!) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 180:sc= -0.101 USER MOD Single : D 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 39 THR OG1 : rot 180:sc= -1.78! USER MOD Single : D 40 SER OG : rot 86:sc= -4.69! USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.016) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= -0.622 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 161:sc= -0.146 (180deg=-0.626) USER MOD Single : D 53 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.032) USER MOD Single : D 59 ASN : amide:sc= -0.479 K(o=-0.48,f=-4.6!) USER MOD Single : D 62 LYS NZ :NH3+ -146:sc= -2.15! (180deg=-4.69!) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot -168:sc= -0.796 USER MOD Single : D 67 ASN : amide:sc= -3.09! K(o=-3.1!,f=-0.74) USER MOD Single : D 69 LYS NZ :NH3+ 158:sc= 1.17 (180deg=1.02) USER MOD Single : D 70 SER OG : rot 180:sc= 0 USER MOD Single : D 76 SER OG : rot -170:sc= 0 USER MOD Single : D 77 ASN : amide:sc= -5.36! K(o=-5.4!,f=-1.4) USER MOD Single : D 80 ASN : amide:sc= -1.55! K(o=-1.5!,f=-0.022) USER MOD Single : D 81 LYS NZ :NH3+ -168:sc= -0.0199 (180deg=-0.166) 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+ -173:sc= 1.1 (180deg=0.848) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 23.600 8.421 12.606 1.00 0.00 N ATOM 2 CA ASP D 1 23.321 9.004 11.271 1.00 0.00 C ATOM 3 C ASP D 1 22.567 8.012 10.402 1.00 0.00 C ATOM 4 O ASP D 1 22.583 6.808 10.662 1.00 0.00 O ATOM 5 CB ASP D 1 24.643 9.381 10.591 1.00 0.00 C ATOM 6 CG ASP D 1 25.418 10.432 11.350 1.00 0.00 C ATOM 7 OD1 ASP D 1 26.506 10.814 10.883 1.00 0.00 O ATOM 8 OD2 ASP D 1 24.943 10.878 12.412 1.00 0.00 O1- ATOM 0 H1 ASP D 1 24.131 9.107 13.180 1.00 0.00 H new ATOM 0 H2 ASP D 1 22.703 8.193 13.080 1.00 0.00 H new ATOM 0 H3 ASP D 1 24.163 7.553 12.495 1.00 0.00 H new ATOM 0 HA ASP D 1 22.705 9.894 11.399 1.00 0.00 H new ATOM 0 HB2 ASP D 1 25.259 8.488 10.486 1.00 0.00 H new ATOM 0 HB3 ASP D 1 24.437 9.746 9.585 1.00 0.00 H new ATOM 13 N ASN D 2 21.944 8.511 9.347 1.00 0.00 N ATOM 14 CA ASN D 2 21.224 7.656 8.416 1.00 0.00 C ATOM 15 C ASN D 2 22.040 7.416 7.158 1.00 0.00 C ATOM 16 O ASN D 2 21.758 7.993 6.109 1.00 0.00 O ATOM 17 CB ASN D 2 19.874 8.266 8.043 1.00 0.00 C ATOM 18 CG ASN D 2 18.940 8.381 9.225 1.00 0.00 C ATOM 19 OD1 ASN D 2 18.606 7.382 9.861 1.00 0.00 O ATOM 20 ND2 ASN D 2 18.507 9.595 9.524 1.00 0.00 N ATOM 0 H ASN D 2 21.922 9.504 9.113 1.00 0.00 H new ATOM 0 HA ASN D 2 21.053 6.702 8.914 1.00 0.00 H new ATOM 0 HB2 ASN D 2 20.033 9.255 7.613 1.00 0.00 H new ATOM 0 HB3 ASN D 2 19.404 7.655 7.272 1.00 0.00 H new ATOM 0 HD21 ASN D 2 17.870 9.730 10.309 1.00 0.00 H new ATOM 0 HD22 ASN D 2 18.810 10.396 8.969 1.00 0.00 H new ATOM 27 N GLN D 3 22.989 6.495 7.243 1.00 0.00 N ATOM 28 CA GLN D 3 23.775 6.099 6.081 1.00 0.00 C ATOM 29 C GLN D 3 22.947 5.160 5.213 1.00 0.00 C ATOM 30 O GLN D 3 23.102 5.107 3.992 1.00 0.00 O ATOM 31 CB GLN D 3 25.067 5.410 6.526 1.00 0.00 C ATOM 32 CG GLN D 3 25.912 6.242 7.484 1.00 0.00 C ATOM 33 CD GLN D 3 26.398 7.544 6.878 1.00 0.00 C ATOM 34 OE1 GLN D 3 25.604 8.393 6.469 1.00 0.00 O ATOM 35 NE2 GLN D 3 27.707 7.714 6.818 1.00 0.00 N ATOM 0 H GLN D 3 23.234 6.007 8.104 1.00 0.00 H new ATOM 0 HA GLN D 3 24.041 6.985 5.504 1.00 0.00 H new ATOM 0 HB2 GLN D 3 24.816 4.464 7.006 1.00 0.00 H new ATOM 0 HB3 GLN D 3 25.663 5.172 5.645 1.00 0.00 H new ATOM 0 HG2 GLN D 3 25.327 6.461 8.377 1.00 0.00 H new ATOM 0 HG3 GLN D 3 26.773 5.654 7.803 1.00 0.00 H new ATOM 0 HE21 GLN D 3 28.332 6.988 7.167 1.00 0.00 H new ATOM 0 HE22 GLN D 3 28.092 8.572 6.423 1.00 0.00 H new ATOM 44 N LYS D 4 21.992 4.505 5.860 1.00 0.00 N ATOM 45 CA LYS D 4 21.024 3.652 5.185 1.00 0.00 C ATOM 46 C LYS D 4 19.797 4.469 4.798 1.00 0.00 C ATOM 47 O LYS D 4 18.891 3.969 4.129 1.00 0.00 O ATOM 48 CB LYS D 4 20.604 2.515 6.121 1.00 0.00 C ATOM 49 CG LYS D 4 20.097 3.022 7.467 1.00 0.00 C ATOM 50 CD LYS D 4 19.616 1.903 8.377 1.00 0.00 C ATOM 51 CE LYS D 4 18.411 1.182 7.796 1.00 0.00 C ATOM 52 NZ LYS D 4 17.833 0.202 8.752 1.00 0.00 N1+ ATOM 0 H LYS D 4 21.867 4.551 6.871 1.00 0.00 H new ATOM 0 HA LYS D 4 21.478 3.236 4.286 1.00 0.00 H new ATOM 0 HB2 LYS D 4 19.823 1.924 5.642 1.00 0.00 H new ATOM 0 HB3 LYS D 4 21.453 1.850 6.283 1.00 0.00 H new ATOM 0 HG2 LYS D 4 20.895 3.572 7.966 1.00 0.00 H new ATOM 0 HG3 LYS D 4 19.281 3.725 7.301 1.00 0.00 H new ATOM 0 HD2 LYS D 4 20.425 1.190 8.535 1.00 0.00 H new ATOM 0 HD3 LYS D 4 19.358 2.314 9.353 1.00 0.00 H new ATOM 0 HE2 LYS D 4 17.650 1.912 7.521 1.00 0.00 H new ATOM 0 HE3 LYS D 4 18.704 0.667 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 17.014 -0.267 8.316 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 18.551 -0.510 8.995 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 17.530 0.697 9.615 1.00 0.00 H new ATOM 66 N ALA D 5 19.734 5.683 5.351 1.00 0.00 N ATOM 67 CA ALA D 5 18.577 6.571 5.227 1.00 0.00 C ATOM 68 C ALA D 5 17.408 6.063 6.069 1.00 0.00 C ATOM 69 O ALA D 5 17.329 4.879 6.391 1.00 0.00 O ATOM 70 CB ALA D 5 18.164 6.771 3.773 1.00 0.00 C ATOM 0 H ALA D 5 20.494 6.081 5.903 1.00 0.00 H new ATOM 0 HA ALA D 5 18.874 7.547 5.611 1.00 0.00 H new ATOM 0 HB1 ALA D 5 17.302 7.437 3.728 1.00 0.00 H new ATOM 0 HB2 ALA D 5 18.992 7.211 3.217 1.00 0.00 H new ATOM 0 HB3 ALA D 5 17.903 5.808 3.333 1.00 0.00 H new ATOM 76 N LEU D 6 16.568 6.986 6.511 1.00 0.00 N ATOM 77 CA LEU D 6 15.470 6.663 7.420 1.00 0.00 C ATOM 78 C LEU D 6 14.141 6.810 6.666 1.00 0.00 C ATOM 79 O LEU D 6 13.060 6.665 7.224 1.00 0.00 O ATOM 80 CB LEU D 6 15.579 7.599 8.651 1.00 0.00 C ATOM 81 CG LEU D 6 14.731 7.278 9.899 1.00 0.00 C ATOM 82 CD1 LEU D 6 15.345 7.951 11.113 1.00 0.00 C ATOM 83 CD2 LEU D 6 13.299 7.768 9.762 1.00 0.00 C ATOM 0 H LEU D 6 16.623 7.972 6.255 1.00 0.00 H new ATOM 0 HA LEU D 6 15.519 5.634 7.777 1.00 0.00 H new ATOM 0 HB2 LEU D 6 16.625 7.622 8.958 1.00 0.00 H new ATOM 0 HB3 LEU D 6 15.320 8.606 8.325 1.00 0.00 H new ATOM 0 HG LEU D 6 14.718 6.194 10.010 1.00 0.00 H new ATOM 0 HD11 LEU D 6 14.747 7.725 11.996 1.00 0.00 H new ATOM 0 HD12 LEU D 6 16.360 7.582 11.259 1.00 0.00 H new ATOM 0 HD13 LEU D 6 15.369 9.030 10.958 1.00 0.00 H new ATOM 0 HD21 LEU D 6 12.741 7.519 10.665 1.00 0.00 H new ATOM 0 HD22 LEU D 6 13.296 8.849 9.620 1.00 0.00 H new ATOM 0 HD23 LEU D 6 12.831 7.288 8.903 1.00 0.00 H new ATOM 95 N GLU D 7 14.256 7.148 5.388 1.00 0.00 N ATOM 96 CA GLU D 7 13.109 7.404 4.518 1.00 0.00 C ATOM 97 C GLU D 7 12.013 6.328 4.603 1.00 0.00 C ATOM 98 O GLU D 7 10.831 6.656 4.476 1.00 0.00 O ATOM 99 CB GLU D 7 13.591 7.556 3.074 1.00 0.00 C ATOM 100 CG GLU D 7 12.485 7.861 2.078 1.00 0.00 C ATOM 101 CD GLU D 7 13.012 8.100 0.684 1.00 0.00 C ATOM 102 OE1 GLU D 7 12.192 8.311 -0.228 1.00 0.00 O ATOM 103 OE2 GLU D 7 14.244 8.097 0.505 1.00 0.00 O1- ATOM 0 H GLU D 7 15.156 7.254 4.919 1.00 0.00 H new ATOM 0 HA GLU D 7 12.648 8.328 4.868 1.00 0.00 H new ATOM 0 HB2 GLU D 7 14.333 8.354 3.032 1.00 0.00 H new ATOM 0 HB3 GLU D 7 14.094 6.637 2.772 1.00 0.00 H new ATOM 0 HG2 GLU D 7 11.779 7.031 2.059 1.00 0.00 H new ATOM 0 HG3 GLU D 7 11.934 8.741 2.410 1.00 0.00 H new ATOM 110 N GLU D 8 12.391 5.053 4.733 1.00 0.00 N ATOM 111 CA GLU D 8 11.403 3.969 4.727 1.00 0.00 C ATOM 112 C GLU D 8 10.373 4.113 5.848 1.00 0.00 C ATOM 113 O GLU D 8 9.172 4.145 5.582 1.00 0.00 O ATOM 114 CB GLU D 8 12.054 2.573 4.762 1.00 0.00 C ATOM 115 CG GLU D 8 13.060 2.333 5.880 1.00 0.00 C ATOM 116 CD GLU D 8 14.396 3.004 5.650 1.00 0.00 C ATOM 117 OE1 GLU D 8 15.258 2.906 6.541 1.00 0.00 O ATOM 118 OE2 GLU D 8 14.597 3.595 4.573 1.00 0.00 O1- ATOM 0 H GLU D 8 13.358 4.748 4.842 1.00 0.00 H new ATOM 0 HA GLU D 8 10.875 4.060 3.778 1.00 0.00 H new ATOM 0 HB2 GLU D 8 11.263 1.827 4.845 1.00 0.00 H new ATOM 0 HB3 GLU D 8 12.553 2.403 3.808 1.00 0.00 H new ATOM 0 HG2 GLU D 8 12.639 2.693 6.819 1.00 0.00 H new ATOM 0 HG3 GLU D 8 13.217 1.260 5.992 1.00 0.00 H new ATOM 125 N GLN D 9 10.824 4.307 7.076 1.00 0.00 N ATOM 126 CA GLN D 9 9.896 4.564 8.173 1.00 0.00 C ATOM 127 C GLN D 9 9.653 6.058 8.353 1.00 0.00 C ATOM 128 O GLN D 9 9.132 6.490 9.382 1.00 0.00 O ATOM 129 CB GLN D 9 10.338 3.918 9.503 1.00 0.00 C ATOM 130 CG GLN D 9 11.749 4.254 9.970 1.00 0.00 C ATOM 131 CD GLN D 9 12.817 3.525 9.184 1.00 0.00 C ATOM 132 OE1 GLN D 9 12.846 2.295 9.155 1.00 0.00 O ATOM 133 NE2 GLN D 9 13.698 4.273 8.548 1.00 0.00 N ATOM 0 H GLN D 9 11.809 4.293 7.340 1.00 0.00 H new ATOM 0 HA GLN D 9 8.956 4.089 7.892 1.00 0.00 H new ATOM 0 HB2 GLN D 9 9.637 4.219 10.281 1.00 0.00 H new ATOM 0 HB3 GLN D 9 10.257 2.836 9.403 1.00 0.00 H new ATOM 0 HG2 GLN D 9 11.910 5.329 9.882 1.00 0.00 H new ATOM 0 HG3 GLN D 9 11.847 4.003 11.026 1.00 0.00 H new ATOM 0 HE21 GLN D 9 13.636 5.290 8.600 1.00 0.00 H new ATOM 0 HE22 GLN D 9 14.441 3.835 8.004 1.00 0.00 H new ATOM 142 N MET D 10 10.013 6.850 7.345 1.00 0.00 N ATOM 143 CA MET D 10 9.799 8.292 7.412 1.00 0.00 C ATOM 144 C MET D 10 8.606 8.696 6.555 1.00 0.00 C ATOM 145 O MET D 10 7.512 8.895 7.064 1.00 0.00 O ATOM 146 CB MET D 10 11.052 9.057 6.972 1.00 0.00 C ATOM 147 CG MET D 10 10.905 10.569 7.052 1.00 0.00 C ATOM 148 SD MET D 10 10.534 11.143 8.720 1.00 0.00 S ATOM 149 CE MET D 10 10.406 12.909 8.449 1.00 0.00 C ATOM 0 H MET D 10 10.449 6.522 6.483 1.00 0.00 H new ATOM 0 HA MET D 10 9.589 8.551 8.450 1.00 0.00 H new ATOM 0 HB2 MET D 10 11.892 8.749 7.594 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.296 8.778 5.947 1.00 0.00 H new ATOM 0 HG2 MET D 10 11.826 11.039 6.707 1.00 0.00 H new ATOM 0 HG3 MET D 10 10.112 10.889 6.377 1.00 0.00 H new ATOM 0 HE1 MET D 10 10.179 13.406 9.392 1.00 0.00 H new ATOM 0 HE2 MET D 10 11.351 13.287 8.058 1.00 0.00 H new ATOM 0 HE3 MET D 10 9.610 13.110 7.732 1.00 0.00 H new ATOM 159 N ASN D 11 8.792 8.720 5.243 1.00 0.00 N ATOM 160 CA ASN D 11 7.681 8.981 4.332 1.00 0.00 C ATOM 161 C ASN D 11 7.221 7.724 3.669 1.00 0.00 C ATOM 162 O ASN D 11 6.075 7.608 3.278 1.00 0.00 O ATOM 163 CB ASN D 11 8.045 9.957 3.229 1.00 0.00 C ATOM 164 CG ASN D 11 8.187 11.389 3.708 1.00 0.00 C ATOM 165 OD1 ASN D 11 8.489 12.285 2.921 1.00 0.00 O ATOM 166 ND2 ASN D 11 7.958 11.620 4.992 1.00 0.00 N ATOM 0 H ASN D 11 9.691 8.564 4.787 1.00 0.00 H new ATOM 0 HA ASN D 11 6.894 9.409 4.953 1.00 0.00 H new ATOM 0 HB2 ASN D 11 8.982 9.641 2.771 1.00 0.00 H new ATOM 0 HB3 ASN D 11 7.281 9.916 2.453 1.00 0.00 H new ATOM 0 HD21 ASN D 11 8.030 12.568 5.360 1.00 0.00 H new ATOM 0 HD22 ASN D 11 7.710 10.849 5.612 1.00 0.00 H new ATOM 173 N SER D 12 8.187 6.915 3.324 1.00 0.00 N ATOM 174 CA SER D 12 7.968 5.788 2.450 1.00 0.00 C ATOM 175 C SER D 12 6.702 5.015 2.814 1.00 0.00 C ATOM 176 O SER D 12 5.741 4.951 2.044 1.00 0.00 O ATOM 177 CB SER D 12 9.180 4.872 2.557 1.00 0.00 C ATOM 178 OG SER D 12 9.033 3.693 1.781 1.00 0.00 O ATOM 0 H SER D 12 9.151 7.017 3.641 1.00 0.00 H new ATOM 0 HA SER D 12 7.836 6.152 1.431 1.00 0.00 H new ATOM 0 HB2 SER D 12 10.070 5.411 2.231 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.337 4.600 3.601 1.00 0.00 H new ATOM 0 HG SER D 12 9.833 3.136 1.878 1.00 0.00 H new ATOM 184 N ILE D 13 6.764 4.368 3.958 1.00 0.00 N ATOM 185 CA ILE D 13 5.702 3.506 4.434 1.00 0.00 C ATOM 186 C ILE D 13 4.714 4.290 5.296 1.00 0.00 C ATOM 187 O ILE D 13 3.633 3.817 5.626 1.00 0.00 O ATOM 188 CB ILE D 13 6.332 2.364 5.232 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.407 1.710 4.382 1.00 0.00 C ATOM 190 CG2 ILE D 13 5.300 1.338 5.681 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.165 0.613 5.094 1.00 0.00 C ATOM 0 H ILE D 13 7.562 4.426 4.591 1.00 0.00 H new ATOM 0 HA ILE D 13 5.145 3.102 3.588 1.00 0.00 H new ATOM 0 HB ILE D 13 6.772 2.776 6.140 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.946 1.297 3.485 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.113 2.473 4.055 1.00 0.00 H new ATOM 0 HG21 ILE D 13 5.795 0.546 6.244 1.00 0.00 H new ATOM 0 HG22 ILE D 13 4.556 1.823 6.314 1.00 0.00 H new ATOM 0 HG23 ILE D 13 4.809 0.909 4.807 1.00 0.00 H new ATOM 0 HD11 ILE D 13 8.915 0.194 4.423 1.00 0.00 H new ATOM 0 HD12 ILE D 13 8.656 1.024 5.976 1.00 0.00 H new ATOM 0 HD13 ILE D 13 7.471 -0.171 5.397 1.00 0.00 H new ATOM 203 N ASN D 14 5.072 5.516 5.617 1.00 0.00 N ATOM 204 CA ASN D 14 4.169 6.380 6.385 1.00 0.00 C ATOM 205 C ASN D 14 3.233 7.149 5.458 1.00 0.00 C ATOM 206 O ASN D 14 2.011 7.041 5.572 1.00 0.00 O ATOM 207 CB ASN D 14 4.935 7.350 7.288 1.00 0.00 C ATOM 208 CG ASN D 14 5.679 6.653 8.414 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.349 7.298 9.218 1.00 0.00 O ATOM 210 ND2 ASN D 14 5.564 5.334 8.485 1.00 0.00 N ATOM 0 H ASN D 14 5.965 5.941 5.368 1.00 0.00 H new ATOM 0 HA ASN D 14 3.574 5.730 7.026 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.646 7.914 6.685 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.236 8.070 7.713 1.00 0.00 H new ATOM 0 HD21 ASN D 14 6.041 4.820 9.226 1.00 0.00 H new ATOM 0 HD22 ASN D 14 4.999 4.834 7.799 1.00 0.00 H new ATOM 217 N SER D 15 3.802 7.836 4.472 1.00 0.00 N ATOM 218 CA SER D 15 3.002 8.515 3.460 1.00 0.00 C ATOM 219 C SER D 15 2.232 7.501 2.619 1.00 0.00 C ATOM 220 O SER D 15 1.215 7.838 2.018 1.00 0.00 O ATOM 221 CB SER D 15 3.864 9.383 2.541 1.00 0.00 C ATOM 222 OG SER D 15 4.584 10.365 3.273 1.00 0.00 O ATOM 0 H SER D 15 4.810 7.937 4.353 1.00 0.00 H new ATOM 0 HA SER D 15 2.302 9.163 3.987 1.00 0.00 H new ATOM 0 HB2 SER D 15 4.563 8.751 1.994 1.00 0.00 H new ATOM 0 HB3 SER D 15 3.230 9.872 1.801 1.00 0.00 H new ATOM 0 HG SER D 15 5.126 10.901 2.656 1.00 0.00 H new ATOM 228 N VAL D 16 2.706 6.249 2.599 1.00 0.00 N ATOM 229 CA VAL D 16 2.036 5.186 1.848 1.00 0.00 C ATOM 230 C VAL D 16 0.615 5.037 2.370 1.00 0.00 C ATOM 231 O VAL D 16 -0.309 4.717 1.623 1.00 0.00 O ATOM 232 CB VAL D 16 2.791 3.827 1.977 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.328 3.018 3.180 1.00 0.00 C ATOM 234 CG2 VAL D 16 2.691 2.985 0.724 1.00 0.00 C ATOM 0 H VAL D 16 3.547 5.950 3.093 1.00 0.00 H new ATOM 0 HA VAL D 16 2.028 5.459 0.793 1.00 0.00 H new ATOM 0 HB VAL D 16 3.838 4.093 2.125 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.884 2.082 3.225 1.00 0.00 H new ATOM 0 HG12 VAL D 16 2.504 3.589 4.092 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.263 2.804 3.086 1.00 0.00 H new ATOM 0 HG21 VAL D 16 3.234 2.051 0.869 1.00 0.00 H new ATOM 0 HG22 VAL D 16 1.644 2.767 0.515 1.00 0.00 H new ATOM 0 HG23 VAL D 16 3.123 3.529 -0.116 1.00 0.00 H new ATOM 244 N ASN D 17 0.461 5.304 3.660 1.00 0.00 N ATOM 245 CA ASN D 17 -0.827 5.222 4.309 1.00 0.00 C ATOM 246 C ASN D 17 -1.598 6.508 4.137 1.00 0.00 C ATOM 247 O ASN D 17 -2.799 6.513 4.239 1.00 0.00 O ATOM 248 CB ASN D 17 -0.665 4.904 5.789 1.00 0.00 C ATOM 249 CG ASN D 17 0.055 3.597 5.993 1.00 0.00 C ATOM 250 OD1 ASN D 17 -0.310 2.592 5.399 1.00 0.00 O ATOM 251 ND2 ASN D 17 1.065 3.593 6.848 1.00 0.00 N ATOM 0 H ASN D 17 1.224 5.581 4.277 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.388 4.415 3.838 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.112 5.706 6.277 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.646 4.859 6.263 1.00 0.00 H new ATOM 0 HD21 ASN D 17 1.573 2.728 7.033 1.00 0.00 H new ATOM 0 HD22 ASN D 17 1.336 4.455 7.322 1.00 0.00 H new ATOM 258 N ASP D 18 -0.914 7.586 3.801 1.00 0.00 N ATOM 259 CA ASP D 18 -1.576 8.853 3.533 1.00 0.00 C ATOM 260 C ASP D 18 -2.417 8.790 2.257 1.00 0.00 C ATOM 261 O ASP D 18 -3.340 9.584 2.079 1.00 0.00 O ATOM 262 CB ASP D 18 -0.533 9.956 3.388 1.00 0.00 C ATOM 263 CG ASP D 18 0.154 10.323 4.682 1.00 0.00 C ATOM 264 OD1 ASP D 18 1.043 11.192 4.645 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.203 9.766 5.736 1.00 0.00 O1- ATOM 0 H ASP D 18 0.101 7.611 3.707 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.239 9.066 4.371 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.219 9.638 2.666 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.013 10.845 2.978 1.00 0.00 H new ATOM 270 N LYS D 19 -2.172 7.780 1.429 1.00 0.00 N ATOM 271 CA LYS D 19 -3.004 7.556 0.245 1.00 0.00 C ATOM 272 C LYS D 19 -4.131 6.643 0.609 1.00 0.00 C ATOM 273 O LYS D 19 -5.239 6.751 0.107 1.00 0.00 O ATOM 274 CB LYS D 19 -2.243 6.908 -0.915 1.00 0.00 C ATOM 275 CG LYS D 19 -1.151 7.773 -1.536 1.00 0.00 C ATOM 276 CD LYS D 19 0.087 7.894 -0.679 1.00 0.00 C ATOM 277 CE LYS D 19 0.896 6.610 -0.702 1.00 0.00 C ATOM 278 NZ LYS D 19 1.379 6.270 -2.072 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.414 7.109 1.551 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.351 8.536 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -1.793 5.981 -0.561 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -2.958 6.639 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -0.873 7.354 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.551 8.769 -1.724 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.701 8.721 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.198 8.129 0.346 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.750 6.709 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS D 19 0.285 5.791 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.123 5.546 -2.008 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 0.587 5.903 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.764 7.123 -2.526 1.00 0.00 H new ATOM 292 N LEU D 20 -3.782 5.676 1.409 1.00 0.00 N ATOM 293 CA LEU D 20 -4.688 4.633 1.786 1.00 0.00 C ATOM 294 C LEU D 20 -5.709 5.162 2.785 1.00 0.00 C ATOM 295 O LEU D 20 -6.896 4.846 2.738 1.00 0.00 O ATOM 296 CB LEU D 20 -3.865 3.531 2.413 1.00 0.00 C ATOM 297 CG LEU D 20 -2.774 2.951 1.510 1.00 0.00 C ATOM 298 CD1 LEU D 20 -1.913 1.962 2.274 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.394 2.284 0.293 1.00 0.00 C ATOM 0 H LEU D 20 -2.853 5.590 1.820 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.233 4.261 0.918 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.399 3.916 3.320 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.533 2.725 2.715 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.138 3.769 1.173 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.144 1.562 1.613 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.440 2.466 3.117 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.535 1.146 2.642 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.606 1.876 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.053 1.478 0.616 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -3.969 3.019 -0.271 1.00 0.00 H new ATOM 311 N ASN D 21 -5.209 5.984 3.690 1.00 0.00 N ATOM 312 CA ASN D 21 -6.002 6.613 4.730 1.00 0.00 C ATOM 313 C ASN D 21 -6.785 7.793 4.170 1.00 0.00 C ATOM 314 O ASN D 21 -6.223 8.876 4.012 1.00 0.00 O ATOM 315 CB ASN D 21 -5.084 7.117 5.859 1.00 0.00 C ATOM 316 CG ASN D 21 -4.571 6.023 6.783 1.00 0.00 C ATOM 317 OD1 ASN D 21 -3.883 6.303 7.766 1.00 0.00 O ATOM 318 ND2 ASN D 21 -4.872 4.775 6.472 1.00 0.00 N ATOM 0 H ASN D 21 -4.222 6.238 3.723 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.699 5.871 5.120 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.231 7.632 5.416 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.627 7.853 6.452 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -4.532 4.009 7.053 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -5.444 4.578 5.651 1.00 0.00 H new ATOM 325 N LYS D 22 -8.048 7.594 3.792 1.00 0.00 N ATOM 326 CA LYS D 22 -8.789 8.698 3.170 1.00 0.00 C ATOM 327 C LYS D 22 -10.083 9.091 3.880 1.00 0.00 C ATOM 328 O LYS D 22 -10.399 10.277 3.958 1.00 0.00 O ATOM 329 CB LYS D 22 -9.052 8.425 1.695 1.00 0.00 C ATOM 330 CG LYS D 22 -7.791 8.483 0.847 1.00 0.00 C ATOM 331 CD LYS D 22 -8.103 8.321 -0.629 1.00 0.00 C ATOM 332 CE LYS D 22 -6.862 8.505 -1.489 1.00 0.00 C ATOM 333 NZ LYS D 22 -6.237 9.842 -1.281 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.564 6.720 3.897 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.130 9.560 3.272 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.510 7.441 1.589 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.770 9.153 1.319 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.285 9.435 1.010 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.103 7.698 1.162 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.525 7.332 -0.805 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -8.861 9.048 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -6.138 7.725 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -7.127 8.387 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -5.613 10.062 -2.083 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -6.981 10.566 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -5.681 9.832 -0.402 1.00 0.00 H new ATOM 347 N GLY D 23 -10.865 8.131 4.346 1.00 0.00 N ATOM 348 CA GLY D 23 -12.118 8.484 4.964 1.00 0.00 C ATOM 349 C GLY D 23 -12.930 7.288 5.395 1.00 0.00 C ATOM 350 O GLY D 23 -12.624 6.670 6.415 1.00 0.00 O ATOM 0 H GLY D 23 -10.658 7.133 4.308 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.922 9.113 5.832 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.705 9.080 4.265 1.00 0.00 H new ATOM 354 N LYS D 24 -13.963 6.966 4.612 1.00 0.00 N ATOM 355 CA LYS D 24 -14.844 5.832 4.895 1.00 0.00 C ATOM 356 C LYS D 24 -14.030 4.590 5.170 1.00 0.00 C ATOM 357 O LYS D 24 -14.247 3.882 6.149 1.00 0.00 O ATOM 358 CB LYS D 24 -15.775 5.591 3.716 1.00 0.00 C ATOM 359 CG LYS D 24 -16.784 4.487 3.965 1.00 0.00 C ATOM 360 CD LYS D 24 -18.027 4.652 3.116 1.00 0.00 C ATOM 361 CE LYS D 24 -17.748 4.528 1.625 1.00 0.00 C ATOM 362 NZ LYS D 24 -18.984 4.732 0.822 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.211 7.482 3.768 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.439 6.064 5.779 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -16.306 6.515 3.487 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -15.180 5.339 2.838 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.325 3.522 3.752 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -17.063 4.482 5.019 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -18.761 3.901 3.407 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.471 5.627 3.317 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -16.997 5.261 1.332 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -17.332 3.543 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -18.901 4.220 -0.079 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -19.804 4.372 1.350 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -19.112 5.747 0.633 1.00 0.00 H new ATOM 376 N GLY D 25 -13.033 4.400 4.345 1.00 0.00 N ATOM 377 CA GLY D 25 -12.105 3.327 4.547 1.00 0.00 C ATOM 378 C GLY D 25 -10.696 3.738 4.256 1.00 0.00 C ATOM 379 O GLY D 25 -10.448 4.764 3.620 1.00 0.00 O ATOM 0 H GLY D 25 -12.846 4.978 3.526 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.175 2.977 5.577 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.377 2.488 3.907 1.00 0.00 H new ATOM 383 N LYS D 26 -9.789 3.040 4.890 1.00 0.00 N ATOM 384 CA LYS D 26 -8.398 3.400 4.890 1.00 0.00 C ATOM 385 C LYS D 26 -7.530 2.166 5.032 1.00 0.00 C ATOM 386 O LYS D 26 -7.993 1.135 5.514 1.00 0.00 O ATOM 387 CB LYS D 26 -8.190 4.343 6.036 1.00 0.00 C ATOM 388 CG LYS D 26 -8.998 3.896 7.209 1.00 0.00 C ATOM 389 CD LYS D 26 -9.124 4.960 8.292 1.00 0.00 C ATOM 390 CE LYS D 26 -9.872 6.194 7.803 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.030 7.098 6.972 1.00 0.00 N1+ ATOM 0 H LYS D 26 -9.999 2.198 5.425 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.117 3.877 3.951 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.134 4.379 6.302 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.480 5.353 5.746 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -9.994 3.613 6.869 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.542 3.003 7.637 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.644 4.540 9.153 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.130 5.251 8.631 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -10.739 5.879 7.222 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.249 6.747 8.663 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -9.139 8.077 7.305 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -8.033 6.814 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.330 7.035 5.978 1.00 0.00 H new ATOM 405 N LEU D 27 -6.274 2.282 4.656 1.00 0.00 N ATOM 406 CA LEU D 27 -5.345 1.178 4.789 1.00 0.00 C ATOM 407 C LEU D 27 -4.037 1.626 5.434 1.00 0.00 C ATOM 408 O LEU D 27 -3.575 2.742 5.222 1.00 0.00 O ATOM 409 CB LEU D 27 -5.097 0.554 3.431 1.00 0.00 C ATOM 410 CG LEU D 27 -3.970 -0.474 3.379 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.254 -1.641 4.312 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.766 -0.978 1.958 1.00 0.00 C ATOM 0 H LEU D 27 -5.872 3.130 4.256 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.787 0.429 5.447 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.018 0.076 3.096 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -4.874 1.349 2.720 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.055 0.018 3.710 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.436 -2.359 4.256 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.346 -1.275 5.335 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.184 -2.126 4.015 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -2.958 -1.710 1.944 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.684 -1.445 1.602 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.509 -0.141 1.309 1.00 0.00 H new ATOM 424 N SER D 28 -3.456 0.754 6.234 1.00 0.00 N ATOM 425 CA SER D 28 -2.219 1.051 6.925 1.00 0.00 C ATOM 426 C SER D 28 -1.251 -0.100 6.723 1.00 0.00 C ATOM 427 O SER D 28 -1.648 -1.259 6.805 1.00 0.00 O ATOM 428 CB SER D 28 -2.485 1.217 8.415 1.00 0.00 C ATOM 429 OG SER D 28 -1.374 1.796 9.084 1.00 0.00 O ATOM 0 H SER D 28 -3.827 -0.177 6.422 1.00 0.00 H new ATOM 0 HA SER D 28 -1.797 1.974 6.527 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.365 1.844 8.560 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.710 0.246 8.855 1.00 0.00 H new ATOM 0 HG SER D 28 -1.579 1.890 10.038 1.00 0.00 H new ATOM 435 N LEU D 29 0.003 0.202 6.444 1.00 0.00 N ATOM 436 CA LEU D 29 0.977 -0.847 6.220 1.00 0.00 C ATOM 437 C LEU D 29 2.190 -0.646 7.110 1.00 0.00 C ATOM 438 O LEU D 29 2.480 0.471 7.539 1.00 0.00 O ATOM 439 CB LEU D 29 1.421 -0.870 4.767 1.00 0.00 C ATOM 440 CG LEU D 29 0.282 -0.828 3.757 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.815 -0.560 2.361 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.484 -2.134 3.766 1.00 0.00 C ATOM 0 H LEU D 29 0.367 1.152 6.368 1.00 0.00 H new ATOM 0 HA LEU D 29 0.503 -1.798 6.463 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.080 -0.020 4.588 1.00 0.00 H new ATOM 0 HB3 LEU D 29 2.009 -1.771 4.594 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.391 -0.019 4.041 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.014 -0.534 1.654 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.334 0.398 2.347 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.508 -1.352 2.078 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.294 -2.086 3.038 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.188 -2.952 3.507 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.899 -2.306 4.759 1.00 0.00 H new ATOM 454 N SER D 30 2.911 -1.722 7.337 1.00 0.00 N ATOM 455 CA SER D 30 4.130 -1.697 8.119 1.00 0.00 C ATOM 456 C SER D 30 4.932 -2.944 7.777 1.00 0.00 C ATOM 457 O SER D 30 4.445 -3.806 7.046 1.00 0.00 O ATOM 458 CB SER D 30 3.801 -1.646 9.618 1.00 0.00 C ATOM 459 OG SER D 30 4.976 -1.551 10.408 1.00 0.00 O ATOM 0 H SER D 30 2.667 -2.646 6.982 1.00 0.00 H new ATOM 0 HA SER D 30 4.715 -0.808 7.885 1.00 0.00 H new ATOM 0 HB2 SER D 30 3.156 -0.791 9.821 1.00 0.00 H new ATOM 0 HB3 SER D 30 3.244 -2.540 9.899 1.00 0.00 H new ATOM 0 HG SER D 30 4.731 -1.519 11.356 1.00 0.00 H new ATOM 465 N MET D 31 6.138 -3.064 8.301 1.00 0.00 N ATOM 466 CA MET D 31 6.943 -4.246 8.036 1.00 0.00 C ATOM 467 C MET D 31 7.562 -4.781 9.310 1.00 0.00 C ATOM 468 O MET D 31 7.741 -4.049 10.283 1.00 0.00 O ATOM 469 CB MET D 31 8.057 -3.952 7.032 1.00 0.00 C ATOM 470 CG MET D 31 7.564 -3.412 5.697 1.00 0.00 C ATOM 471 SD MET D 31 8.907 -3.094 4.539 1.00 0.00 S ATOM 472 CE MET D 31 7.997 -2.533 3.101 1.00 0.00 C ATOM 0 H MET D 31 6.578 -2.369 8.904 1.00 0.00 H new ATOM 0 HA MET D 31 6.272 -4.995 7.615 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.746 -3.231 7.471 1.00 0.00 H new ATOM 0 HB3 MET D 31 8.623 -4.867 6.855 1.00 0.00 H new ATOM 0 HG2 MET D 31 6.869 -4.126 5.255 1.00 0.00 H new ATOM 0 HG3 MET D 31 7.008 -2.489 5.865 1.00 0.00 H new ATOM 0 HE1 MET D 31 8.695 -2.297 2.298 1.00 0.00 H new ATOM 0 HE2 MET D 31 7.317 -3.318 2.772 1.00 0.00 H new ATOM 0 HE3 MET D 31 7.425 -1.641 3.358 1.00 0.00 H new ATOM 482 N ASN D 32 8.016 -6.019 9.240 1.00 0.00 N ATOM 483 CA ASN D 32 8.775 -6.617 10.326 1.00 0.00 C ATOM 484 C ASN D 32 9.950 -7.381 9.737 1.00 0.00 C ATOM 485 O ASN D 32 9.802 -8.527 9.321 1.00 0.00 O ATOM 486 CB ASN D 32 7.884 -7.564 11.140 1.00 0.00 C ATOM 487 CG ASN D 32 8.623 -8.167 12.318 1.00 0.00 C ATOM 488 OD1 ASN D 32 9.126 -7.448 13.181 1.00 0.00 O ATOM 489 ND2 ASN D 32 8.689 -9.490 12.364 1.00 0.00 N ATOM 0 H ASN D 32 7.872 -6.634 8.439 1.00 0.00 H new ATOM 0 HA ASN D 32 9.139 -5.835 10.992 1.00 0.00 H new ATOM 0 HB2 ASN D 32 7.011 -7.020 11.500 1.00 0.00 H new ATOM 0 HB3 ASN D 32 7.518 -8.362 10.494 1.00 0.00 H new ATOM 0 HD21 ASN D 32 9.171 -9.950 13.136 1.00 0.00 H new ATOM 0 HD22 ASN D 32 8.258 -10.048 11.627 1.00 0.00 H new ATOM 496 N GLY D 33 11.054 -6.681 9.520 1.00 0.00 N ATOM 497 CA GLY D 33 12.145 -7.268 8.762 1.00 0.00 C ATOM 498 C GLY D 33 11.821 -7.276 7.284 1.00 0.00 C ATOM 499 O GLY D 33 11.704 -6.221 6.666 1.00 0.00 O ATOM 0 H GLY D 33 11.215 -5.729 9.849 1.00 0.00 H new ATOM 0 HA2 GLY D 33 13.061 -6.704 8.936 1.00 0.00 H new ATOM 0 HA3 GLY D 33 12.328 -8.286 9.106 1.00 0.00 H new ATOM 503 N ASN D 34 11.551 -8.452 6.743 1.00 0.00 N ATOM 504 CA ASN D 34 11.103 -8.569 5.359 1.00 0.00 C ATOM 505 C ASN D 34 9.621 -8.920 5.320 1.00 0.00 C ATOM 506 O ASN D 34 9.154 -9.639 4.443 1.00 0.00 O ATOM 507 CB ASN D 34 11.937 -9.613 4.619 1.00 0.00 C ATOM 508 CG ASN D 34 13.393 -9.207 4.560 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.738 -8.170 3.991 1.00 0.00 O ATOM 510 ND2 ASN D 34 14.255 -10.004 5.167 1.00 0.00 N ATOM 0 H ASN D 34 11.633 -9.340 7.238 1.00 0.00 H new ATOM 0 HA ASN D 34 11.241 -7.612 4.856 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.845 -10.577 5.119 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.551 -9.741 3.608 1.00 0.00 H new ATOM 0 HD21 ASN D 34 15.248 -9.769 5.176 1.00 0.00 H new ATOM 0 HD22 ASN D 34 13.928 -10.854 5.627 1.00 0.00 H new ATOM 517 N GLN D 35 8.909 -8.432 6.320 1.00 0.00 N ATOM 518 CA GLN D 35 7.486 -8.698 6.487 1.00 0.00 C ATOM 519 C GLN D 35 6.607 -7.568 6.004 1.00 0.00 C ATOM 520 O GLN D 35 7.065 -6.455 5.783 1.00 0.00 O ATOM 521 CB GLN D 35 7.161 -8.996 7.941 1.00 0.00 C ATOM 522 CG GLN D 35 7.344 -10.456 8.312 1.00 0.00 C ATOM 523 CD GLN D 35 6.388 -11.364 7.563 1.00 0.00 C ATOM 524 OE1 GLN D 35 6.385 -11.408 6.332 1.00 0.00 O ATOM 525 NE2 GLN D 35 5.560 -12.085 8.301 1.00 0.00 N ATOM 0 H GLN D 35 9.303 -7.834 7.047 1.00 0.00 H new ATOM 0 HA GLN D 35 7.272 -9.569 5.867 1.00 0.00 H new ATOM 0 HB2 GLN D 35 7.797 -8.384 8.581 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.130 -8.704 8.143 1.00 0.00 H new ATOM 0 HG2 GLN D 35 8.370 -10.757 8.099 1.00 0.00 H new ATOM 0 HG3 GLN D 35 7.192 -10.578 9.385 1.00 0.00 H new ATOM 0 HE21 GLN D 35 5.595 -12.019 9.318 1.00 0.00 H new ATOM 0 HE22 GLN D 35 4.887 -12.706 7.853 1.00 0.00 H new ATOM 534 N LEU D 36 5.335 -7.885 5.837 1.00 0.00 N ATOM 535 CA LEU D 36 4.349 -6.929 5.375 1.00 0.00 C ATOM 536 C LEU D 36 3.115 -7.002 6.257 1.00 0.00 C ATOM 537 O LEU D 36 2.639 -8.092 6.581 1.00 0.00 O ATOM 538 CB LEU D 36 4.056 -7.230 3.909 1.00 0.00 C ATOM 539 CG LEU D 36 3.005 -6.376 3.172 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.602 -6.664 3.671 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.309 -4.892 3.302 1.00 0.00 C ATOM 0 H LEU D 36 4.958 -8.815 6.019 1.00 0.00 H new ATOM 0 HA LEU D 36 4.716 -5.905 5.445 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.994 -7.145 3.361 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.741 -8.271 3.842 1.00 0.00 H new ATOM 0 HG LEU D 36 3.056 -6.650 2.118 1.00 0.00 H new ATOM 0 HD11 LEU D 36 0.888 -6.044 3.129 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.366 -7.716 3.508 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.541 -6.440 4.736 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.550 -4.317 2.772 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.307 -4.611 4.355 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.289 -4.682 2.873 1.00 0.00 H new ATOM 553 N LYS D 37 2.727 -5.858 6.797 1.00 0.00 N ATOM 554 CA LYS D 37 1.699 -5.816 7.824 1.00 0.00 C ATOM 555 C LYS D 37 0.644 -4.761 7.492 1.00 0.00 C ATOM 556 O LYS D 37 0.895 -3.566 7.614 1.00 0.00 O ATOM 557 CB LYS D 37 2.369 -5.476 9.159 1.00 0.00 C ATOM 558 CG LYS D 37 3.616 -6.317 9.454 1.00 0.00 C ATOM 559 CD LYS D 37 3.320 -7.798 9.681 1.00 0.00 C ATOM 560 CE LYS D 37 2.386 -8.042 10.863 1.00 0.00 C ATOM 561 NZ LYS D 37 2.179 -9.494 11.112 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.108 -4.947 6.542 1.00 0.00 H new ATOM 0 HA LYS D 37 1.201 -6.784 7.881 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.644 -4.421 9.159 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.648 -5.617 9.964 1.00 0.00 H new ATOM 0 HG2 LYS D 37 4.314 -6.219 8.623 1.00 0.00 H new ATOM 0 HG3 LYS D 37 4.113 -5.916 10.337 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.874 -8.217 8.779 1.00 0.00 H new ATOM 0 HD3 LYS D 37 4.257 -8.329 9.849 1.00 0.00 H new ATOM 0 HE2 LYS D 37 2.801 -7.575 11.757 1.00 0.00 H new ATOM 0 HE3 LYS D 37 1.425 -7.565 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 1.539 -9.620 11.922 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 1.760 -9.935 10.268 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 3.093 -9.944 11.320 1.00 0.00 H new ATOM 575 N ALA D 38 -0.504 -5.206 7.011 1.00 0.00 N ATOM 576 CA ALA D 38 -1.566 -4.302 6.584 1.00 0.00 C ATOM 577 C ALA D 38 -2.748 -4.313 7.535 1.00 0.00 C ATOM 578 O ALA D 38 -3.129 -5.354 8.074 1.00 0.00 O ATOM 579 CB ALA D 38 -2.037 -4.676 5.192 1.00 0.00 C ATOM 0 H ALA D 38 -0.728 -6.195 6.905 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.149 -3.295 6.582 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.830 -3.996 4.881 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.203 -4.604 4.494 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.417 -5.698 5.199 1.00 0.00 H new ATOM 585 N THR D 39 -3.366 -3.150 7.656 1.00 0.00 N ATOM 586 CA THR D 39 -4.569 -2.967 8.445 1.00 0.00 C ATOM 587 C THR D 39 -5.466 -1.916 7.800 1.00 0.00 C ATOM 588 O THR D 39 -5.035 -0.809 7.525 1.00 0.00 O ATOM 589 CB THR D 39 -4.210 -2.556 9.873 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.224 -1.537 9.867 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.699 -3.693 10.732 1.00 0.00 C ATOM 0 H THR D 39 -3.041 -2.296 7.202 1.00 0.00 H new ATOM 0 HA THR D 39 -5.110 -3.912 8.482 1.00 0.00 H new ATOM 0 HB THR D 39 -5.145 -2.203 10.308 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.008 -1.285 10.789 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.467 -3.320 11.729 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.463 -4.467 10.803 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.799 -4.112 10.283 1.00 0.00 H new ATOM 599 N SER D 40 -6.727 -2.242 7.637 1.00 0.00 N ATOM 600 CA SER D 40 -7.705 -1.308 7.109 1.00 0.00 C ATOM 601 C SER D 40 -8.613 -0.893 8.232 1.00 0.00 C ATOM 602 O SER D 40 -9.040 -1.725 9.036 1.00 0.00 O ATOM 603 CB SER D 40 -8.511 -1.966 6.007 1.00 0.00 C ATOM 604 OG SER D 40 -9.153 -3.140 6.480 1.00 0.00 O ATOM 0 H SER D 40 -7.108 -3.160 7.865 1.00 0.00 H new ATOM 0 HA SER D 40 -7.202 -0.436 6.691 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.256 -1.266 5.629 1.00 0.00 H new ATOM 0 HB3 SER D 40 -7.856 -2.216 5.172 1.00 0.00 H new ATOM 0 HG SER D 40 -10.011 -2.901 6.889 1.00 0.00 H new ATOM 610 N SER D 41 -8.883 0.380 8.325 1.00 0.00 N ATOM 611 CA SER D 41 -9.723 0.844 9.403 1.00 0.00 C ATOM 612 C SER D 41 -11.157 0.971 8.916 1.00 0.00 C ATOM 613 O SER D 41 -11.390 1.114 7.705 1.00 0.00 O ATOM 614 CB SER D 41 -9.207 2.157 9.991 1.00 0.00 C ATOM 615 OG SER D 41 -10.012 2.591 11.075 1.00 0.00 O ATOM 0 H SER D 41 -8.546 1.101 7.687 1.00 0.00 H new ATOM 0 HA SER D 41 -9.695 0.111 10.209 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.179 2.027 10.329 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.193 2.924 9.216 1.00 0.00 H new ATOM 0 HG SER D 41 -9.656 3.432 11.431 1.00 0.00 H new ATOM 621 N ASN D 42 -12.090 0.727 9.846 1.00 0.00 N ATOM 622 CA ASN D 42 -13.523 0.599 9.552 1.00 0.00 C ATOM 623 C ASN D 42 -13.828 -0.798 9.021 1.00 0.00 C ATOM 624 O ASN D 42 -14.986 -1.151 8.809 1.00 0.00 O ATOM 625 CB ASN D 42 -14.014 1.683 8.589 1.00 0.00 C ATOM 626 CG ASN D 42 -13.900 3.064 9.203 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.564 3.371 10.190 1.00 0.00 O ATOM 628 ND2 ASN D 42 -13.041 3.897 8.638 1.00 0.00 N ATOM 0 H ASN D 42 -11.868 0.612 10.835 1.00 0.00 H new ATOM 0 HA ASN D 42 -14.069 0.744 10.484 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.432 1.644 7.668 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -15.052 1.488 8.319 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.911 4.833 9.021 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.509 3.603 7.819 1.00 0.00 H new ATOM 635 N ALA D 43 -12.781 -1.630 8.987 1.00 0.00 N ATOM 636 CA ALA D 43 -12.890 -3.063 8.691 1.00 0.00 C ATOM 637 C ALA D 43 -13.751 -3.377 7.467 1.00 0.00 C ATOM 638 O ALA D 43 -14.616 -4.254 7.528 1.00 0.00 O ATOM 639 CB ALA D 43 -13.427 -3.804 9.907 1.00 0.00 C ATOM 0 H ALA D 43 -11.824 -1.324 9.166 1.00 0.00 H new ATOM 0 HA ALA D 43 -11.883 -3.403 8.451 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -13.505 -4.867 9.680 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -12.749 -3.662 10.749 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.412 -3.415 10.165 1.00 0.00 H new ATOM 645 N GLY D 44 -13.422 -2.794 6.322 1.00 0.00 N ATOM 646 CA GLY D 44 -14.095 -3.189 5.102 1.00 0.00 C ATOM 647 C GLY D 44 -14.878 -2.078 4.451 1.00 0.00 C ATOM 648 O GLY D 44 -15.889 -2.333 3.803 1.00 0.00 O ATOM 0 H GLY D 44 -12.714 -2.067 6.216 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.355 -3.562 4.394 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.770 -4.016 5.322 1.00 0.00 H new ATOM 652 N TYR D 45 -14.364 -0.864 4.525 1.00 0.00 N ATOM 653 CA TYR D 45 -14.970 0.254 3.821 1.00 0.00 C ATOM 654 C TYR D 45 -13.972 0.831 2.827 1.00 0.00 C ATOM 655 O TYR D 45 -12.766 0.813 3.078 1.00 0.00 O ATOM 656 CB TYR D 45 -15.447 1.349 4.791 1.00 0.00 C ATOM 657 CG TYR D 45 -16.648 0.957 5.653 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.747 1.807 5.810 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.688 -0.269 6.309 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.830 1.441 6.585 1.00 0.00 C ATOM 661 CE2 TYR D 45 -17.770 -0.637 7.083 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.836 0.219 7.217 1.00 0.00 C ATOM 663 OH TYR D 45 -19.918 -0.149 7.985 1.00 0.00 O ATOM 0 H TYR D 45 -13.531 -0.626 5.063 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.847 -0.116 3.290 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.620 1.621 5.446 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.704 2.239 4.216 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -17.749 2.767 5.316 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -15.854 -0.948 6.211 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.669 2.112 6.695 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -17.778 -1.595 7.582 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.764 -1.041 8.360 1.00 0.00 H new ATOM 673 N GLY D 46 -14.472 1.380 1.730 1.00 0.00 N ATOM 674 CA GLY D 46 -13.601 2.014 0.756 1.00 0.00 C ATOM 675 C GLY D 46 -13.493 3.492 1.030 1.00 0.00 C ATOM 676 O GLY D 46 -14.100 3.960 1.980 1.00 0.00 O ATOM 0 H GLY D 46 -15.464 1.399 1.495 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.612 1.558 0.792 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.990 1.852 -0.249 1.00 0.00 H new ATOM 680 N ILE D 47 -12.721 4.224 0.225 1.00 0.00 N ATOM 681 CA ILE D 47 -12.529 5.664 0.429 1.00 0.00 C ATOM 682 C ILE D 47 -13.852 6.337 0.673 1.00 0.00 C ATOM 683 O ILE D 47 -14.056 7.029 1.670 1.00 0.00 O ATOM 684 CB ILE D 47 -11.959 6.315 -0.828 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.729 5.578 -1.298 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.631 7.778 -0.590 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.673 5.410 -0.225 1.00 0.00 C ATOM 0 H ILE D 47 -12.217 3.844 -0.576 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.854 5.778 1.277 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.722 6.258 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -11.023 4.594 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.295 6.114 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.227 8.214 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.537 8.312 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.893 7.860 0.208 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.819 4.872 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.350 6.391 0.124 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -10.089 4.847 0.610 1.00 0.00 H new ATOM 699 N SER D 48 -14.720 6.146 -0.295 1.00 0.00 N ATOM 700 CA SER D 48 -16.030 6.734 -0.293 1.00 0.00 C ATOM 701 C SER D 48 -16.798 6.218 -1.502 1.00 0.00 C ATOM 702 O SER D 48 -16.844 5.010 -1.726 1.00 0.00 O ATOM 703 CB SER D 48 -15.895 8.255 -0.306 1.00 0.00 C ATOM 704 OG SER D 48 -15.142 8.696 -1.427 1.00 0.00 O ATOM 0 H SER D 48 -14.528 5.569 -1.114 1.00 0.00 H new ATOM 0 HA SER D 48 -16.584 6.458 0.604 1.00 0.00 H new ATOM 0 HB2 SER D 48 -16.885 8.710 -0.328 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.412 8.587 0.613 1.00 0.00 H new ATOM 0 HG SER D 48 -15.073 9.673 -1.411 1.00 0.00 H new ATOM 710 N TYR D 49 -17.190 7.116 -2.393 1.00 0.00 N ATOM 711 CA TYR D 49 -17.697 6.700 -3.688 1.00 0.00 C ATOM 712 C TYR D 49 -16.717 7.166 -4.741 1.00 0.00 C ATOM 713 O TYR D 49 -16.934 8.187 -5.392 1.00 0.00 O ATOM 714 CB TYR D 49 -19.058 7.317 -4.006 1.00 0.00 C ATOM 715 CG TYR D 49 -20.146 7.094 -2.951 1.00 0.00 C ATOM 716 CD1 TYR D 49 -19.947 7.459 -1.619 1.00 0.00 C ATOM 717 CD2 TYR D 49 -21.380 6.523 -3.285 1.00 0.00 C ATOM 718 CE1 TYR D 49 -20.926 7.265 -0.667 1.00 0.00 C ATOM 719 CE2 TYR D 49 -22.358 6.329 -2.331 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.126 6.701 -1.027 1.00 0.00 C ATOM 721 OH TYR D 49 -23.100 6.510 -0.080 1.00 0.00 O ATOM 0 H TYR D 49 -17.167 8.125 -2.245 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.813 5.616 -3.675 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -18.927 8.390 -4.146 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.408 6.912 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -19.007 7.903 -1.327 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -21.570 6.229 -4.307 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -20.750 7.556 0.358 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -23.303 5.886 -2.607 1.00 0.00 H new ATOM 0 HH TYR D 49 -23.887 6.102 -0.498 1.00 0.00 H new ATOM 731 N GLU D 50 -15.602 6.477 -4.842 1.00 0.00 N ATOM 732 CA GLU D 50 -14.553 6.897 -5.743 1.00 0.00 C ATOM 733 C GLU D 50 -14.051 5.754 -6.592 1.00 0.00 C ATOM 734 O GLU D 50 -14.439 4.603 -6.392 1.00 0.00 O ATOM 735 CB GLU D 50 -13.374 7.471 -4.973 1.00 0.00 C ATOM 736 CG GLU D 50 -13.609 8.843 -4.391 1.00 0.00 C ATOM 737 CD GLU D 50 -13.996 9.861 -5.437 1.00 0.00 C ATOM 738 OE1 GLU D 50 -13.221 10.049 -6.394 1.00 0.00 O ATOM 739 OE2 GLU D 50 -15.061 10.488 -5.291 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.399 5.628 -4.314 1.00 0.00 H new ATOM 0 HA GLU D 50 -14.988 7.660 -6.389 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.118 6.787 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.511 7.516 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.395 8.784 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -12.705 9.177 -3.882 1.00 0.00 H new ATOM 746 N ASP D 51 -13.026 6.044 -7.386 1.00 0.00 N ATOM 747 CA ASP D 51 -12.309 4.983 -8.080 1.00 0.00 C ATOM 748 C ASP D 51 -10.818 5.263 -8.082 1.00 0.00 C ATOM 749 O ASP D 51 -10.379 6.356 -8.435 1.00 0.00 O ATOM 750 CB ASP D 51 -12.780 4.766 -9.524 1.00 0.00 C ATOM 751 CG ASP D 51 -14.283 4.702 -9.697 1.00 0.00 C ATOM 752 OD1 ASP D 51 -14.969 5.701 -9.407 1.00 0.00 O ATOM 753 OD2 ASP D 51 -14.780 3.659 -10.150 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.679 6.987 -7.563 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.527 4.069 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.391 5.574 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.345 3.839 -9.898 1.00 0.00 H new ATOM 758 N LYS D 52 -10.049 4.269 -7.663 1.00 0.00 N ATOM 759 CA LYS D 52 -8.605 4.370 -7.580 1.00 0.00 C ATOM 760 C LYS D 52 -7.983 3.061 -8.003 1.00 0.00 C ATOM 761 O LYS D 52 -8.403 2.006 -7.545 1.00 0.00 O ATOM 762 CB LYS D 52 -8.138 4.691 -6.162 1.00 0.00 C ATOM 763 CG LYS D 52 -8.412 6.106 -5.679 1.00 0.00 C ATOM 764 CD LYS D 52 -9.869 6.348 -5.319 1.00 0.00 C ATOM 765 CE LYS D 52 -10.091 7.807 -4.943 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.677 8.739 -6.031 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.416 3.364 -7.369 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.295 5.180 -8.240 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.618 3.994 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.065 4.509 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -7.791 6.311 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.115 6.811 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.507 6.083 -6.162 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.156 5.704 -4.487 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -11.145 7.965 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -9.530 8.036 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.126 9.666 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -8.643 8.849 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -9.973 8.353 -6.950 1.00 0.00 H new ATOM 780 N ASN D 53 -6.938 3.122 -8.799 1.00 0.00 N ATOM 781 CA ASN D 53 -6.220 1.915 -9.173 1.00 0.00 C ATOM 782 C ASN D 53 -4.843 1.928 -8.551 1.00 0.00 C ATOM 783 O ASN D 53 -4.134 2.930 -8.620 1.00 0.00 O ATOM 784 CB ASN D 53 -6.118 1.761 -10.692 1.00 0.00 C ATOM 785 CG ASN D 53 -7.459 1.498 -11.358 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.526 1.311 -12.573 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.537 1.495 -10.581 1.00 0.00 N ATOM 0 H ASN D 53 -6.566 3.984 -9.198 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.781 1.059 -8.798 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.681 2.666 -11.114 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.438 0.941 -10.923 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.458 1.334 -10.988 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.443 1.654 -9.578 1.00 0.00 H new ATOM 794 N TRP D 54 -4.511 0.863 -7.846 1.00 0.00 N ATOM 795 CA TRP D 54 -3.266 0.816 -7.109 1.00 0.00 C ATOM 796 C TRP D 54 -2.312 -0.235 -7.616 1.00 0.00 C ATOM 797 O TRP D 54 -2.719 -1.237 -8.201 1.00 0.00 O ATOM 798 CB TRP D 54 -3.508 0.566 -5.627 1.00 0.00 C ATOM 799 CG TRP D 54 -3.378 1.798 -4.815 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.150 2.919 -4.835 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.335 2.041 -3.896 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.632 3.851 -3.962 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.510 3.323 -3.377 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.266 1.281 -3.460 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.631 3.855 -2.446 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.417 1.815 -2.535 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.595 3.089 -2.040 1.00 0.00 C ATOM 0 H TRP D 54 -5.084 0.023 -7.769 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.810 1.795 -7.260 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.506 0.148 -5.490 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.799 -0.179 -5.267 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.033 3.057 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -4.018 4.778 -3.781 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.106 0.284 -3.844 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.771 4.853 -2.057 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.415 1.225 -2.182 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.105 3.481 -1.316 1.00 0.00 H new ATOM 818 N GLY D 55 -1.053 -0.063 -7.241 1.00 0.00 N ATOM 819 CA GLY D 55 -0.065 -1.067 -7.514 1.00 0.00 C ATOM 820 C GLY D 55 1.039 -1.093 -6.477 1.00 0.00 C ATOM 821 O GLY D 55 1.216 -0.162 -5.690 1.00 0.00 O ATOM 0 H GLY D 55 -0.704 0.761 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.546 -2.044 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.369 -0.887 -8.497 1.00 0.00 H new ATOM 825 N ILE D 56 1.755 -2.191 -6.495 1.00 0.00 N ATOM 826 CA ILE D 56 2.866 -2.481 -5.590 1.00 0.00 C ATOM 827 C ILE D 56 3.998 -3.034 -6.441 1.00 0.00 C ATOM 828 O ILE D 56 3.799 -4.017 -7.150 1.00 0.00 O ATOM 829 CB ILE D 56 2.425 -3.534 -4.553 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.231 -3.018 -3.743 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.577 -3.877 -3.628 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.535 -4.091 -2.937 1.00 0.00 C ATOM 0 H ILE D 56 1.582 -2.943 -7.162 1.00 0.00 H new ATOM 0 HA ILE D 56 3.184 -1.586 -5.056 1.00 0.00 H new ATOM 0 HB ILE D 56 2.122 -4.437 -5.083 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.573 -2.233 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.511 -2.562 -4.423 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.251 -4.621 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.405 -4.278 -4.212 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.904 -2.978 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.299 -3.652 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.162 -4.865 -3.607 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.240 -4.531 -2.231 1.00 0.00 H new ATOM 844 N PHE D 57 5.055 -2.259 -6.600 1.00 0.00 N ATOM 845 CA PHE D 57 6.024 -2.563 -7.643 1.00 0.00 C ATOM 846 C PHE D 57 7.356 -3.013 -7.065 1.00 0.00 C ATOM 847 O PHE D 57 8.174 -2.189 -6.659 1.00 0.00 O ATOM 848 CB PHE D 57 6.246 -1.352 -8.567 1.00 0.00 C ATOM 849 CG PHE D 57 4.980 -0.740 -9.117 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.643 -0.884 -10.452 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.138 0.003 -8.304 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.493 -0.305 -10.953 1.00 0.00 C ATOM 853 CE2 PHE D 57 2.997 0.573 -8.795 1.00 0.00 C ATOM 854 CZ PHE D 57 2.670 0.422 -10.116 1.00 0.00 C ATOM 0 H PHE D 57 5.264 -1.434 -6.038 1.00 0.00 H new ATOM 0 HA PHE D 57 5.607 -3.384 -8.226 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.794 -0.587 -8.017 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.878 -1.659 -9.401 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.285 -1.454 -11.108 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.389 0.134 -7.262 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.239 -0.421 -11.996 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.353 1.143 -8.141 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.768 0.872 -10.503 1.00 0.00 H new ATOM 864 N VAL D 58 7.615 -4.308 -7.168 1.00 0.00 N ATOM 865 CA VAL D 58 8.909 -4.865 -6.804 1.00 0.00 C ATOM 866 C VAL D 58 9.851 -4.838 -8.001 1.00 0.00 C ATOM 867 O VAL D 58 9.617 -5.527 -8.992 1.00 0.00 O ATOM 868 CB VAL D 58 8.773 -6.311 -6.269 1.00 0.00 C ATOM 869 CG1 VAL D 58 10.131 -6.979 -6.121 1.00 0.00 C ATOM 870 CG2 VAL D 58 8.063 -6.304 -4.929 1.00 0.00 C ATOM 0 H VAL D 58 6.941 -4.997 -7.503 1.00 0.00 H new ATOM 0 HA VAL D 58 9.324 -4.248 -6.007 1.00 0.00 H new ATOM 0 HB VAL D 58 8.189 -6.880 -6.993 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.999 -7.993 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.626 -7.015 -7.091 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.743 -6.409 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.972 -7.326 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.636 -5.711 -4.217 1.00 0.00 H new ATOM 0 HG23 VAL D 58 7.070 -5.870 -5.046 1.00 0.00 H new ATOM 880 N ASN D 59 10.890 -4.009 -7.911 1.00 0.00 N ATOM 881 CA ASN D 59 11.867 -3.838 -8.995 1.00 0.00 C ATOM 882 C ASN D 59 11.178 -3.549 -10.326 1.00 0.00 C ATOM 883 O ASN D 59 11.453 -4.205 -11.331 1.00 0.00 O ATOM 884 CB ASN D 59 12.768 -5.072 -9.142 1.00 0.00 C ATOM 885 CG ASN D 59 13.618 -5.337 -7.914 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.105 -5.626 -6.836 1.00 0.00 O ATOM 887 ND2 ASN D 59 14.929 -5.233 -8.071 1.00 0.00 N ATOM 0 H ASN D 59 11.081 -3.437 -7.089 1.00 0.00 H new ATOM 0 HA ASN D 59 12.487 -2.983 -8.726 1.00 0.00 H new ATOM 0 HB2 ASN D 59 12.148 -5.946 -9.343 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.419 -4.938 -10.006 1.00 0.00 H new ATOM 0 HD21 ASN D 59 15.552 -5.395 -7.280 1.00 0.00 H new ATOM 0 HD22 ASN D 59 15.316 -4.991 -8.983 1.00 0.00 H new ATOM 894 N GLY D 60 10.279 -2.572 -10.323 1.00 0.00 N ATOM 895 CA GLY D 60 9.559 -2.218 -11.529 1.00 0.00 C ATOM 896 C GLY D 60 8.683 -3.344 -12.033 1.00 0.00 C ATOM 897 O GLY D 60 8.699 -3.675 -13.217 1.00 0.00 O ATOM 0 H GLY D 60 10.036 -2.017 -9.502 1.00 0.00 H new ATOM 0 HA2 GLY D 60 8.942 -1.341 -11.335 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.272 -1.941 -12.306 1.00 0.00 H new ATOM 901 N GLU D 61 7.912 -3.916 -11.127 1.00 0.00 N ATOM 902 CA GLU D 61 6.998 -5.001 -11.456 1.00 0.00 C ATOM 903 C GLU D 61 5.806 -4.969 -10.510 1.00 0.00 C ATOM 904 O GLU D 61 5.953 -5.185 -9.305 1.00 0.00 O ATOM 905 CB GLU D 61 7.721 -6.354 -11.374 1.00 0.00 C ATOM 906 CG GLU D 61 6.842 -7.555 -11.696 1.00 0.00 C ATOM 907 CD GLU D 61 7.609 -8.858 -11.679 1.00 0.00 C ATOM 908 OE1 GLU D 61 8.182 -9.200 -10.629 1.00 0.00 O ATOM 909 OE2 GLU D 61 7.644 -9.540 -12.721 1.00 0.00 O1- ATOM 0 H GLU D 61 7.899 -3.645 -10.144 1.00 0.00 H new ATOM 0 HA GLU D 61 6.641 -4.871 -12.478 1.00 0.00 H new ATOM 0 HB2 GLU D 61 8.567 -6.343 -12.061 1.00 0.00 H new ATOM 0 HB3 GLU D 61 8.128 -6.475 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU D 61 6.027 -7.608 -10.974 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.390 -7.417 -12.678 1.00 0.00 H new ATOM 916 N LYS D 62 4.638 -4.633 -11.046 1.00 0.00 N ATOM 917 CA LYS D 62 3.438 -4.506 -10.231 1.00 0.00 C ATOM 918 C LYS D 62 2.935 -5.887 -9.822 1.00 0.00 C ATOM 919 O LYS D 62 2.407 -6.638 -10.643 1.00 0.00 O ATOM 920 CB LYS D 62 2.352 -3.739 -10.992 1.00 0.00 C ATOM 921 CG LYS D 62 1.093 -3.479 -10.174 1.00 0.00 C ATOM 922 CD LYS D 62 0.064 -2.629 -10.923 1.00 0.00 C ATOM 923 CE LYS D 62 -0.570 -3.346 -12.116 1.00 0.00 C ATOM 924 NZ LYS D 62 0.387 -3.625 -13.223 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.498 -4.444 -12.039 1.00 0.00 H new ATOM 0 HA LYS D 62 3.683 -3.944 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.760 -2.785 -11.326 1.00 0.00 H new ATOM 0 HB3 LYS D 62 2.083 -4.301 -11.886 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.640 -4.432 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.366 -2.977 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.722 -2.330 -10.230 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.545 -1.715 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -1.003 -4.287 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.390 -2.739 -12.500 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -0.107 -3.555 -14.135 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 1.162 -2.932 -13.195 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 0.776 -4.583 -13.113 1.00 0.00 H new ATOM 938 N VAL D 63 3.196 -6.251 -8.578 1.00 0.00 N ATOM 939 CA VAL D 63 2.875 -7.577 -8.082 1.00 0.00 C ATOM 940 C VAL D 63 1.398 -7.718 -7.718 1.00 0.00 C ATOM 941 O VAL D 63 0.860 -8.826 -7.721 1.00 0.00 O ATOM 942 CB VAL D 63 3.744 -7.941 -6.871 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.219 -7.891 -7.242 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.460 -7.031 -5.685 1.00 0.00 C ATOM 0 H VAL D 63 3.633 -5.640 -7.888 1.00 0.00 H new ATOM 0 HA VAL D 63 3.088 -8.270 -8.896 1.00 0.00 H new ATOM 0 HB VAL D 63 3.491 -8.959 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL D 63 5.822 -8.152 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.416 -8.600 -8.046 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.477 -6.885 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.094 -7.318 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.670 -5.998 -5.961 1.00 0.00 H new ATOM 0 HG23 VAL D 63 2.413 -7.124 -5.397 1.00 0.00 H new ATOM 954 N TYR D 64 0.744 -6.608 -7.385 1.00 0.00 N ATOM 955 CA TYR D 64 -0.661 -6.659 -7.003 1.00 0.00 C ATOM 956 C TYR D 64 -1.378 -5.367 -7.378 1.00 0.00 C ATOM 957 O TYR D 64 -0.800 -4.282 -7.287 1.00 0.00 O ATOM 958 CB TYR D 64 -0.798 -6.899 -5.498 1.00 0.00 C ATOM 959 CG TYR D 64 -2.217 -7.220 -5.076 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.826 -6.563 -4.015 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.949 -8.189 -5.751 1.00 0.00 C ATOM 962 CE1 TYR D 64 -4.122 -6.865 -3.644 1.00 0.00 C ATOM 963 CE2 TYR D 64 -4.243 -8.493 -5.385 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.825 -7.827 -4.331 1.00 0.00 C ATOM 965 OH TYR D 64 -6.114 -8.124 -3.961 1.00 0.00 O ATOM 0 H TYR D 64 1.158 -5.676 -7.372 1.00 0.00 H new ATOM 0 HA TYR D 64 -1.122 -7.485 -7.544 1.00 0.00 H new ATOM 0 HB2 TYR D 64 -0.143 -7.720 -5.206 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.457 -6.013 -4.962 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.279 -5.806 -3.473 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.496 -8.714 -6.579 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.582 -6.347 -2.816 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.796 -9.249 -5.922 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.470 -8.824 -4.547 1.00 0.00 H new ATOM 975 N THR D 65 -2.659 -5.486 -7.719 1.00 0.00 N ATOM 976 CA THR D 65 -3.489 -4.329 -8.016 1.00 0.00 C ATOM 977 C THR D 65 -4.742 -4.333 -7.145 1.00 0.00 C ATOM 978 O THR D 65 -5.578 -5.231 -7.253 1.00 0.00 O ATOM 979 CB THR D 65 -3.882 -4.317 -9.475 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.739 -4.357 -10.309 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.708 -3.111 -9.886 1.00 0.00 C ATOM 0 H THR D 65 -3.144 -6.380 -7.796 1.00 0.00 H new ATOM 0 HA THR D 65 -2.909 -3.432 -7.800 1.00 0.00 H new ATOM 0 HB THR D 65 -4.497 -5.208 -9.599 1.00 0.00 H new ATOM 0 HG1 THR D 65 -3.001 -4.158 -11.232 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.948 -3.179 -10.947 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.631 -3.087 -9.306 1.00 0.00 H new ATOM 0 HG23 THR D 65 -4.139 -2.200 -9.700 1.00 0.00 H new ATOM 989 N PHE D 66 -4.921 -3.279 -6.364 1.00 0.00 N ATOM 990 CA PHE D 66 -6.138 -3.118 -5.582 1.00 0.00 C ATOM 991 C PHE D 66 -6.737 -1.761 -5.853 1.00 0.00 C ATOM 992 O PHE D 66 -6.037 -0.817 -6.198 1.00 0.00 O ATOM 993 CB PHE D 66 -5.887 -3.334 -4.088 1.00 0.00 C ATOM 994 CG PHE D 66 -4.944 -2.370 -3.408 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.653 -2.756 -3.078 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.370 -1.105 -3.041 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.804 -1.894 -2.407 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.526 -0.239 -2.374 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.242 -0.631 -2.055 1.00 0.00 C ATOM 0 H PHE D 66 -4.243 -2.525 -6.255 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.850 -3.884 -5.888 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.847 -3.290 -3.573 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.498 -4.343 -3.952 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -3.306 -3.742 -3.348 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.376 -0.791 -3.279 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.801 -2.207 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.872 0.747 -2.101 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.582 0.046 -1.533 1.00 0.00 H new ATOM 1009 N ASN D 67 -8.039 -1.674 -5.756 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.727 -0.431 -6.034 1.00 0.00 C ATOM 1011 C ASN D 67 -9.297 0.109 -4.749 1.00 0.00 C ATOM 1012 O ASN D 67 -9.774 -0.665 -3.933 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.852 -0.638 -7.058 1.00 0.00 C ATOM 1014 CG ASN D 67 -9.357 -1.056 -8.433 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -10.152 -1.271 -9.345 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -8.046 -1.160 -8.604 1.00 0.00 N ATOM 0 H ASN D 67 -8.648 -2.447 -5.487 1.00 0.00 H new ATOM 0 HA ASN D 67 -8.016 0.279 -6.457 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.538 -1.397 -6.682 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -10.421 0.287 -7.152 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -7.670 -1.426 -9.514 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -7.414 -0.974 -7.825 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.325 1.429 -4.589 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.944 2.006 -3.404 1.00 0.00 C ATOM 1025 C GLU D 68 -11.453 1.920 -3.525 1.00 0.00 C ATOM 1026 O GLU D 68 -12.176 1.948 -2.527 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.511 3.446 -3.176 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.009 3.652 -3.093 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.360 2.801 -2.025 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.721 2.961 -0.842 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.496 1.981 -2.375 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.936 2.104 -5.248 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.612 1.432 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -9.904 4.062 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -9.965 3.806 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.561 3.419 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -7.801 4.703 -2.890 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.866 1.538 -4.722 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.220 1.097 -4.977 1.00 0.00 C ATOM 1040 C LYS D 69 -13.498 -0.094 -4.097 1.00 0.00 C ATOM 1041 O LYS D 69 -14.403 -0.098 -3.263 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.308 0.619 -6.405 1.00 0.00 C ATOM 1043 CG LYS D 69 -12.897 1.643 -7.429 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.019 1.078 -8.839 1.00 0.00 C ATOM 1045 CE LYS D 69 -14.405 0.501 -9.103 1.00 0.00 C ATOM 1046 NZ LYS D 69 -15.483 1.496 -8.867 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.265 1.526 -5.546 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.922 1.909 -4.788 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.679 -0.264 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.333 0.309 -6.609 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.522 2.531 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -11.869 1.955 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -12.809 1.864 -9.564 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.269 0.301 -8.985 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -14.459 0.147 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -14.565 -0.364 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -16.336 1.215 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -15.700 1.538 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -15.169 2.432 -9.193 1.00 0.00 H new ATOM 1060 N SER D 70 -12.606 -1.060 -4.241 1.00 0.00 N ATOM 1061 CA SER D 70 -12.595 -2.237 -3.423 1.00 0.00 C ATOM 1062 C SER D 70 -12.248 -1.848 -1.999 1.00 0.00 C ATOM 1063 O SER D 70 -11.199 -1.260 -1.750 1.00 0.00 O ATOM 1064 CB SER D 70 -11.572 -3.223 -3.972 1.00 0.00 C ATOM 1065 OG SER D 70 -11.849 -3.541 -5.329 1.00 0.00 O ATOM 0 H SER D 70 -11.865 -1.038 -4.941 1.00 0.00 H new ATOM 0 HA SER D 70 -13.577 -2.710 -3.432 1.00 0.00 H new ATOM 0 HB2 SER D 70 -10.572 -2.797 -3.891 1.00 0.00 H new ATOM 0 HB3 SER D 70 -11.581 -4.133 -3.372 1.00 0.00 H new ATOM 0 HG SER D 70 -11.178 -4.174 -5.660 1.00 0.00 H new ATOM 1071 N THR D 71 -13.157 -2.124 -1.080 1.00 0.00 N ATOM 1072 CA THR D 71 -12.977 -1.756 0.311 1.00 0.00 C ATOM 1073 C THR D 71 -11.589 -2.153 0.806 1.00 0.00 C ATOM 1074 O THR D 71 -11.218 -3.329 0.738 1.00 0.00 O ATOM 1075 CB THR D 71 -14.043 -2.435 1.149 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.949 -3.840 1.043 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.451 -2.041 0.758 1.00 0.00 C ATOM 0 H THR D 71 -14.034 -2.606 -1.276 1.00 0.00 H new ATOM 0 HA THR D 71 -13.070 -0.674 0.404 1.00 0.00 H new ATOM 0 HB THR D 71 -13.858 -2.104 2.171 1.00 0.00 H new ATOM 0 HG1 THR D 71 -13.034 -4.089 0.797 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.165 -2.562 1.396 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.574 -0.965 0.879 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.629 -2.312 -0.283 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.809 -1.171 1.274 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.467 -1.430 1.743 1.00 0.00 C ATOM 1087 C VAL D 72 -9.473 -2.465 2.861 1.00 0.00 C ATOM 1088 O VAL D 72 -8.458 -3.086 3.151 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.710 -0.156 2.188 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.445 -0.032 1.366 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.553 1.107 2.007 1.00 0.00 C ATOM 0 H VAL D 72 -11.096 -0.194 1.333 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.922 -1.827 0.887 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.481 -0.250 3.249 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -6.900 0.862 1.669 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.819 -0.910 1.527 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.703 0.041 0.310 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -8.981 1.976 2.332 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.818 1.220 0.956 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.462 1.027 2.604 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.668 -2.740 3.371 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.867 -3.797 4.320 1.00 0.00 C ATOM 1103 C GLY D 73 -10.692 -5.166 3.726 1.00 0.00 C ATOM 1104 O GLY D 73 -9.768 -5.891 4.089 1.00 0.00 O ATOM 0 H GLY D 73 -11.517 -2.229 3.130 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.165 -3.673 5.145 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.870 -3.716 4.740 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.582 -5.522 2.806 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.518 -6.825 2.156 1.00 0.00 C ATOM 1110 C ASN D 74 -10.236 -6.972 1.368 1.00 0.00 C ATOM 1111 O ASN D 74 -9.747 -8.078 1.171 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.724 -7.052 1.242 1.00 0.00 C ATOM 1113 CG ASN D 74 -14.026 -7.143 2.013 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -14.175 -7.988 2.896 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.979 -6.283 1.688 1.00 0.00 N ATOM 0 H ASN D 74 -12.352 -4.930 2.495 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.536 -7.581 2.941 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.788 -6.237 0.521 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.577 -7.970 0.673 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.875 -6.306 2.175 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.817 -5.597 0.950 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.657 -5.851 0.981 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.386 -5.868 0.282 1.00 0.00 C ATOM 1124 C ILE D 75 -7.228 -6.107 1.234 1.00 0.00 C ATOM 1125 O ILE D 75 -6.315 -6.853 0.923 1.00 0.00 O ATOM 1126 CB ILE D 75 -8.170 -4.569 -0.477 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -9.213 -4.449 -1.596 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.754 -4.488 -1.025 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -9.159 -5.592 -2.590 1.00 0.00 C ATOM 0 H ILE D 75 -10.045 -4.921 1.138 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.420 -6.694 -0.428 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.297 -3.730 0.208 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -10.208 -4.408 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.061 -3.508 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.625 -3.549 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -6.042 -4.534 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.578 -5.323 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.922 -5.446 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.176 -5.620 -3.059 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -9.340 -6.534 -2.072 1.00 0.00 H new ATOM 1141 N SER D 76 -7.279 -5.501 2.408 1.00 0.00 N ATOM 1142 CA SER D 76 -6.227 -5.710 3.398 1.00 0.00 C ATOM 1143 C SER D 76 -6.339 -7.084 4.026 1.00 0.00 C ATOM 1144 O SER D 76 -5.326 -7.673 4.406 1.00 0.00 O ATOM 1145 CB SER D 76 -6.241 -4.619 4.465 1.00 0.00 C ATOM 1146 OG SER D 76 -5.318 -4.892 5.507 1.00 0.00 O ATOM 0 H SER D 76 -8.024 -4.869 2.700 1.00 0.00 H new ATOM 0 HA SER D 76 -5.270 -5.652 2.880 1.00 0.00 H new ATOM 0 HB2 SER D 76 -6.000 -3.659 4.007 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.244 -4.530 4.882 1.00 0.00 H new ATOM 0 HG SER D 76 -5.463 -4.264 6.245 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.518 -7.686 3.924 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.646 -9.091 4.261 1.00 0.00 C ATOM 1154 C ASN D 77 -6.836 -9.896 3.262 1.00 0.00 C ATOM 1155 O ASN D 77 -6.247 -10.918 3.607 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.103 -9.559 4.243 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.943 -8.904 5.318 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.599 -8.930 6.499 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -11.072 -8.342 4.920 1.00 0.00 N ATOM 0 H ASN D 77 -8.379 -7.233 3.618 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.275 -9.240 5.275 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.537 -9.343 3.267 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.134 -10.641 4.373 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.694 -7.909 5.602 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -11.321 -8.342 3.931 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.728 -9.356 2.043 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.894 -9.951 1.005 1.00 0.00 C ATOM 1168 C ASP D 78 -4.433 -9.530 1.110 1.00 0.00 C ATOM 1169 O ASP D 78 -3.551 -10.279 0.714 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.427 -9.644 -0.401 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.654 -10.457 -0.747 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.668 -10.347 -0.038 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.599 -11.223 -1.729 1.00 0.00 O1- ATOM 0 H ASP D 78 -7.211 -8.505 1.755 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.942 -11.027 1.170 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.667 -8.583 -0.471 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.645 -9.843 -1.134 1.00 0.00 H new ATOM 1178 N ILE D 79 -4.155 -8.348 1.638 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.766 -7.914 1.753 1.00 0.00 C ATOM 1180 C ILE D 79 -2.032 -8.800 2.760 1.00 0.00 C ATOM 1181 O ILE D 79 -0.807 -8.928 2.726 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.635 -6.422 2.181 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.549 -5.522 1.353 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -1.204 -5.959 1.980 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.157 -5.430 -0.101 1.00 0.00 C ATOM 0 H ILE D 79 -4.849 -7.686 1.986 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.318 -8.008 0.764 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.923 -6.352 3.230 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -4.571 -5.896 1.421 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -3.546 -4.521 1.785 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -1.114 -4.915 2.280 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.535 -6.570 2.587 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.933 -6.059 0.929 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.852 -4.774 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -2.147 -5.027 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -3.188 -6.423 -0.550 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.807 -9.467 3.608 1.00 0.00 N ATOM 1198 CA ASN D 80 -2.276 -10.402 4.577 1.00 0.00 C ATOM 1199 C ASN D 80 -1.725 -11.651 3.898 1.00 0.00 C ATOM 1200 O ASN D 80 -0.656 -12.136 4.264 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.367 -10.780 5.575 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.817 -9.613 6.442 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -4.743 -9.742 7.242 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -3.154 -8.474 6.309 1.00 0.00 N ATOM 0 H ASN D 80 -3.822 -9.370 3.638 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.452 -9.921 5.104 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -4.226 -11.173 5.032 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -3.001 -11.581 6.217 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -3.406 -7.668 6.880 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -2.391 -8.403 5.635 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.417 -12.137 2.867 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.927 -13.286 2.112 1.00 0.00 C ATOM 1213 C LYS D 81 -0.861 -12.887 1.098 1.00 0.00 C ATOM 1214 O LYS D 81 0.234 -13.443 1.110 1.00 0.00 O ATOM 1215 CB LYS D 81 -3.053 -14.060 1.416 1.00 0.00 C ATOM 1216 CG LYS D 81 -4.103 -13.196 0.750 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.240 -12.887 1.705 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.966 -14.145 2.151 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.584 -14.867 1.008 1.00 0.00 N1+ ATOM 0 H LYS D 81 -3.306 -11.758 2.540 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.474 -13.951 2.847 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.613 -14.716 0.665 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.542 -14.700 2.150 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.649 -12.266 0.407 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -4.492 -13.705 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.848 -12.365 2.578 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.947 -12.213 1.221 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.265 -14.806 2.661 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -6.739 -13.881 2.873 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -7.233 -15.596 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -7.113 -14.194 0.417 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -5.839 -15.317 0.438 1.00 0.00 H new ATOM 1233 N LEU D 82 -1.172 -11.912 0.234 1.00 0.00 N ATOM 1234 CA LEU D 82 -0.229 -11.427 -0.768 1.00 0.00 C ATOM 1235 C LEU D 82 1.144 -11.116 -0.174 1.00 0.00 C ATOM 1236 O LEU D 82 2.161 -11.345 -0.827 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.809 -10.213 -1.465 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.866 -10.532 -2.524 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -1.248 -11.272 -3.696 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -3.027 -11.341 -1.973 1.00 0.00 C ATOM 0 H LEU D 82 -2.078 -11.444 0.214 1.00 0.00 H new ATOM 0 HA LEU D 82 -0.074 -12.223 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -1.251 -9.556 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.003 -9.658 -1.936 1.00 0.00 H new ATOM 0 HG LEU D 82 -2.260 -9.572 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -2.018 -11.488 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU D 82 -0.473 -10.654 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.809 -12.206 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.745 -11.537 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.656 -12.287 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -3.515 -10.781 -1.175 1.00 0.00 H new ATOM 1252 N ASN D 83 1.148 -10.733 1.114 1.00 0.00 N ATOM 1253 CA ASN D 83 2.375 -10.537 1.904 1.00 0.00 C ATOM 1254 C ASN D 83 3.475 -9.873 1.074 1.00 0.00 C ATOM 1255 O ASN D 83 4.416 -10.533 0.632 1.00 0.00 O ATOM 1256 CB ASN D 83 2.854 -11.889 2.457 1.00 0.00 C ATOM 1257 CG ASN D 83 4.005 -11.787 3.450 1.00 0.00 C ATOM 1258 OD1 ASN D 83 4.502 -12.803 3.935 1.00 0.00 O ATOM 1259 ND2 ASN D 83 4.424 -10.575 3.783 1.00 0.00 N ATOM 0 H ASN D 83 0.293 -10.549 1.640 1.00 0.00 H new ATOM 0 HA ASN D 83 2.147 -9.869 2.735 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.015 -12.388 2.941 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.163 -12.520 1.624 1.00 0.00 H new ATOM 0 HD21 ASN D 83 5.179 -10.464 4.459 1.00 0.00 H new ATOM 0 HD22 ASN D 83 3.991 -9.752 3.363 1.00 0.00 H new ATOM 1266 N ILE D 84 3.314 -8.583 0.819 1.00 0.00 N ATOM 1267 CA ILE D 84 4.253 -7.845 -0.014 1.00 0.00 C ATOM 1268 C ILE D 84 5.620 -7.731 0.657 1.00 0.00 C ATOM 1269 O ILE D 84 5.808 -6.950 1.590 1.00 0.00 O ATOM 1270 CB ILE D 84 3.745 -6.431 -0.387 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.473 -6.487 -1.249 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.831 -5.664 -1.121 1.00 0.00 C ATOM 1273 CD1 ILE D 84 1.245 -7.022 -0.541 1.00 0.00 C ATOM 0 H ILE D 84 2.540 -8.024 1.178 1.00 0.00 H new ATOM 0 HA ILE D 84 4.346 -8.420 -0.935 1.00 0.00 H new ATOM 0 HB ILE D 84 3.495 -5.917 0.541 1.00 0.00 H new ATOM 0 HG12 ILE D 84 2.255 -5.484 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.671 -7.109 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.464 -4.671 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.708 -5.572 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.102 -6.198 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE D 84 0.400 -7.023 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.436 -8.039 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE D 84 1.014 -6.389 0.316 1.00 0.00 H new ATOM 1285 N LYS D 85 6.575 -8.504 0.172 1.00 0.00 N ATOM 1286 CA LYS D 85 7.916 -8.473 0.726 1.00 0.00 C ATOM 1287 C LYS D 85 8.868 -7.795 -0.255 1.00 0.00 C ATOM 1288 O LYS D 85 8.463 -7.377 -1.341 1.00 0.00 O ATOM 1289 CB LYS D 85 8.388 -9.895 1.041 1.00 0.00 C ATOM 1290 CG LYS D 85 7.402 -10.681 1.895 1.00 0.00 C ATOM 1291 CD LYS D 85 7.860 -12.116 2.119 1.00 0.00 C ATOM 1292 CE LYS D 85 9.208 -12.180 2.820 1.00 0.00 C ATOM 1293 NZ LYS D 85 9.646 -13.580 3.061 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.448 -9.158 -0.601 1.00 0.00 H new ATOM 0 HA LYS D 85 7.907 -7.900 1.653 1.00 0.00 H new ATOM 0 HB2 LYS D 85 8.556 -10.430 0.106 1.00 0.00 H new ATOM 0 HB3 LYS D 85 9.347 -9.846 1.557 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.280 -10.185 2.858 1.00 0.00 H new ATOM 0 HG3 LYS D 85 6.425 -10.683 1.412 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.116 -12.645 2.714 1.00 0.00 H new ATOM 0 HD3 LYS D 85 7.925 -12.630 1.160 1.00 0.00 H new ATOM 0 HE2 LYS D 85 9.955 -11.666 2.216 1.00 0.00 H new ATOM 0 HE3 LYS D 85 9.147 -11.651 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 10.569 -13.577 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 8.947 -14.065 3.659 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 9.729 -14.079 2.152 1.00 0.00 H new ATOM 1307 N GLY D 86 10.124 -7.677 0.141 1.00 0.00 N ATOM 1308 CA GLY D 86 11.119 -7.031 -0.698 1.00 0.00 C ATOM 1309 C GLY D 86 11.656 -7.924 -1.783 1.00 0.00 C ATOM 1310 O GLY D 86 11.243 -9.079 -1.923 1.00 0.00 O ATOM 0 H GLY D 86 10.478 -8.019 1.035 1.00 0.00 H new ATOM 0 HA2 GLY D 86 10.679 -6.143 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.946 -6.693 -0.074 1.00 0.00 H new ATOM 1314 N PRO D 87 12.598 -7.404 -2.569 1.00 0.00 N ATOM 1315 CA PRO D 87 13.096 -6.040 -2.414 1.00 0.00 C ATOM 1316 C PRO D 87 12.381 -5.010 -3.292 1.00 0.00 C ATOM 1317 O PRO D 87 11.477 -5.361 -4.037 1.00 0.00 O ATOM 1318 CB PRO D 87 14.531 -6.215 -2.833 1.00 0.00 C ATOM 1319 CG PRO D 87 14.490 -7.229 -3.933 1.00 0.00 C ATOM 1320 CD PRO D 87 13.264 -8.092 -3.682 1.00 0.00 C ATOM 0 HA PRO D 87 12.944 -5.644 -1.410 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.959 -5.274 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO D 87 15.146 -6.559 -2.002 1.00 0.00 H new ATOM 0 HG2 PRO D 87 14.429 -6.742 -4.906 1.00 0.00 H new ATOM 0 HG3 PRO D 87 15.396 -7.835 -3.936 1.00 0.00 H new ATOM 0 HD2 PRO D 87 12.624 -8.149 -4.562 1.00 0.00 H new ATOM 0 HD3 PRO D 87 13.537 -9.114 -3.419 1.00 0.00 H new ATOM 1328 N TYR D 88 12.816 -3.740 -3.180 1.00 0.00 N ATOM 1329 CA TYR D 88 12.256 -2.608 -3.944 1.00 0.00 C ATOM 1330 C TYR D 88 10.737 -2.641 -3.983 1.00 0.00 C ATOM 1331 O TYR D 88 10.145 -3.234 -4.876 1.00 0.00 O ATOM 1332 CB TYR D 88 12.783 -2.591 -5.384 1.00 0.00 C ATOM 1333 CG TYR D 88 14.249 -2.246 -5.524 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.213 -2.821 -4.710 1.00 0.00 C ATOM 1335 CD2 TYR D 88 14.665 -1.346 -6.494 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.550 -2.510 -4.856 1.00 0.00 C ATOM 1337 CE2 TYR D 88 15.997 -1.026 -6.645 1.00 0.00 C ATOM 1338 CZ TYR D 88 16.937 -1.611 -5.826 1.00 0.00 C ATOM 1339 OH TYR D 88 18.266 -1.299 -5.982 1.00 0.00 O ATOM 0 H TYR D 88 13.572 -3.469 -2.552 1.00 0.00 H new ATOM 0 HA TYR D 88 12.577 -1.705 -3.425 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.612 -3.571 -5.829 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.200 -1.873 -5.960 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.912 -3.525 -3.948 1.00 0.00 H new ATOM 0 HD2 TYR D 88 13.932 -0.888 -7.142 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.288 -2.968 -4.214 1.00 0.00 H new ATOM 0 HE2 TYR D 88 16.302 -0.319 -7.403 1.00 0.00 H new ATOM 0 HH TYR D 88 18.367 -0.651 -6.710 1.00 0.00 H new ATOM 1349 N ILE D 89 10.108 -1.990 -3.027 1.00 0.00 N ATOM 1350 CA ILE D 89 8.660 -1.961 -2.976 1.00 0.00 C ATOM 1351 C ILE D 89 8.147 -0.573 -3.278 1.00 0.00 C ATOM 1352 O ILE D 89 8.529 0.405 -2.633 1.00 0.00 O ATOM 1353 CB ILE D 89 8.117 -2.433 -1.604 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.715 -3.794 -1.239 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.608 -2.535 -1.636 1.00 0.00 C ATOM 1356 CD1 ILE D 89 10.107 -3.709 -0.653 1.00 0.00 C ATOM 0 H ILE D 89 10.573 -1.476 -2.278 1.00 0.00 H new ATOM 0 HA ILE D 89 8.299 -2.655 -3.735 1.00 0.00 H new ATOM 0 HB ILE D 89 8.406 -1.699 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.059 -4.289 -0.523 1.00 0.00 H new ATOM 0 HG13 ILE D 89 8.743 -4.420 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.245 -2.868 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.182 -1.559 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.308 -3.252 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE D 89 10.465 -4.712 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE D 89 10.778 -3.243 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE D 89 10.082 -3.111 0.258 1.00 0.00 H new ATOM 1368 N GLU D 90 7.244 -0.507 -4.230 1.00 0.00 N ATOM 1369 CA GLU D 90 6.621 0.756 -4.591 1.00 0.00 C ATOM 1370 C GLU D 90 5.106 0.627 -4.542 1.00 0.00 C ATOM 1371 O GLU D 90 4.473 0.215 -5.506 1.00 0.00 O ATOM 1372 CB GLU D 90 7.075 1.222 -5.978 1.00 0.00 C ATOM 1373 CG GLU D 90 6.542 2.595 -6.357 1.00 0.00 C ATOM 1374 CD GLU D 90 7.014 3.048 -7.715 1.00 0.00 C ATOM 1375 OE1 GLU D 90 6.704 2.366 -8.708 1.00 0.00 O ATOM 1376 OE2 GLU D 90 7.693 4.084 -7.789 1.00 0.00 O1- ATOM 0 H GLU D 90 6.922 -1.310 -4.771 1.00 0.00 H new ATOM 0 HA GLU D 90 6.935 1.508 -3.867 1.00 0.00 H new ATOM 0 HB2 GLU D 90 8.164 1.242 -6.008 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.749 0.495 -6.722 1.00 0.00 H new ATOM 0 HG2 GLU D 90 5.452 2.573 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU D 90 6.855 3.321 -5.607 1.00 0.00 H new ATOM 1383 N ILE D 91 4.537 0.947 -3.401 1.00 0.00 N ATOM 1384 CA ILE D 91 3.105 0.844 -3.203 1.00 0.00 C ATOM 1385 C ILE D 91 2.500 2.252 -3.355 1.00 0.00 C ATOM 1386 O ILE D 91 2.685 3.106 -2.483 1.00 0.00 O ATOM 1387 CB ILE D 91 2.808 0.266 -1.792 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.867 -0.752 -1.403 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.468 -0.448 -1.740 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.661 -1.325 -0.018 1.00 0.00 C ATOM 0 H ILE D 91 5.050 1.285 -2.586 1.00 0.00 H new ATOM 0 HA ILE D 91 2.663 0.173 -3.939 1.00 0.00 H new ATOM 0 HB ILE D 91 2.801 1.115 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.865 -1.565 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.849 -0.282 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.301 -0.836 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.673 0.252 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.467 -1.273 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.450 -2.045 0.199 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.692 -0.521 0.717 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.692 -1.823 0.029 1.00 0.00 H new ATOM 1402 N LYS D 92 1.764 2.493 -4.446 1.00 0.00 N ATOM 1403 CA LYS D 92 1.125 3.789 -4.674 1.00 0.00 C ATOM 1404 C LYS D 92 0.033 3.633 -5.722 1.00 0.00 C ATOM 1405 O LYS D 92 0.010 2.633 -6.443 1.00 0.00 O ATOM 1406 CB LYS D 92 2.141 4.858 -5.125 1.00 0.00 C ATOM 1407 CG LYS D 92 2.360 4.967 -6.637 1.00 0.00 C ATOM 1408 CD LYS D 92 2.958 3.725 -7.284 1.00 0.00 C ATOM 1409 CE LYS D 92 3.064 3.929 -8.795 1.00 0.00 C ATOM 1410 NZ LYS D 92 4.092 3.062 -9.437 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.598 1.807 -5.182 1.00 0.00 H new ATOM 0 HA LYS D 92 0.693 4.126 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.810 5.828 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.099 4.645 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.404 5.184 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.016 5.815 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.944 3.524 -6.865 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.337 2.856 -7.068 1.00 0.00 H new ATOM 0 HE2 LYS D 92 2.094 3.729 -9.250 1.00 0.00 H new ATOM 0 HE3 LYS D 92 3.302 4.973 -8.998 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 4.198 3.331 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 5.002 3.182 -8.948 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.795 2.067 -9.376 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.822 4.640 -5.876 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.817 4.566 -6.927 1.00 0.00 C ATOM 1426 C GLN D 93 -1.225 4.993 -8.249 1.00 0.00 C ATOM 1427 O GLN D 93 -0.103 5.496 -8.318 1.00 0.00 O ATOM 1428 CB GLN D 93 -3.072 5.366 -6.643 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.856 6.856 -6.593 1.00 0.00 C ATOM 1430 CD GLN D 93 -4.154 7.613 -6.407 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -5.071 7.502 -7.222 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -4.247 8.377 -5.332 1.00 0.00 N ATOM 0 H GLN D 93 -0.844 5.486 -5.306 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.121 3.520 -6.972 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.813 5.143 -7.411 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.491 5.039 -5.691 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -2.176 7.096 -5.775 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.375 7.183 -7.515 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.463 8.441 -4.682 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -5.102 8.903 -5.152 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.895 4.582 -9.291 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.368 4.679 -10.627 1.00 0.00 C ATOM 1443 C ILE D 94 -2.399 5.248 -11.590 1.00 0.00 C ATOM 1444 O ILE D 94 -2.198 5.125 -12.811 1.00 0.00 O ATOM 1445 CB ILE D 94 -0.938 3.285 -11.073 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.080 2.316 -10.821 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.307 2.836 -10.333 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -1.762 0.881 -11.137 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.401 5.819 -11.117 1.00 0.00 O ATOM 0 H ILE D 94 -2.826 4.168 -9.238 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.516 5.358 -10.630 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.699 3.308 -12.136 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.376 2.387 -9.774 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -2.939 2.624 -11.417 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.591 1.839 -10.670 1.00 0.00 H new ATOM 0 HG22 ILE D 94 1.121 3.533 -10.534 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.105 2.813 -9.262 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.633 0.261 -10.928 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.497 0.791 -12.190 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -0.925 0.550 -10.522 1.00 0.00 H new TER 1461 ILE D 94