USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 933 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: C 11 SER OG : rot 180:sc= 0.0461 USER MOD Set 1.2: C 21 THR OG1 : rot -70:sc= 0.0447 USER MOD Set 1.3: C 35 ASN : amide:sc= 0.0142 K(o=0.11,f=-0.64) USER MOD Set 2.1: C 13 ASN : amide:sc= -0.0291 X(o=-0.038,f=0.35) USER MOD Set 2.2: C 19 THR OG1 : rot 180:sc=-0.00876 USER MOD Set 3.1: A 13 ASN : amide:sc= 1.02 K(o=1,f=-1.8) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 1 MET CE :methyl 166:sc= -1.05 (180deg=-1.32) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.00254 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.159 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.2) USER MOD Single : A 29 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.9!) USER MOD Single : A 35 ASN : amide:sc=-0.00138 K(o=-0.0014,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.94 K(o=0.94,f=0) USER MOD Single : A 52 GLN : amide:sc= -3.36! K(o=-3.4!,f=-1.7) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 179:sc= -0.217 (180deg=-0.235) USER MOD Single : C 1 MET N :NH3+ 137:sc= 0.0126 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= -0.0558 USER MOD Single : C 28 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : C 29 GLN : amide:sc= -1.35 K(o=-1.4,f=-5.2!) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HD1:sc= -0.771 X(o=-0.77,f=-0.29) USER MOD Single : C 48 TYR OH : rot 50:sc= 0.507 USER MOD Single : C 49 GLN : amide:sc= 0.837 K(o=0.84,f=0) USER MOD Single : C 52 GLN : amide:sc= -2.97! K(o=-3!,f=-1.3) USER MOD Single : C 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.749 -8.231 -10.343 1.00 0.00 N ATOM 2 CA MET A 1 4.077 -7.187 -9.544 1.00 0.00 C ATOM 3 C MET A 1 2.782 -7.746 -8.966 1.00 0.00 C ATOM 4 O MET A 1 2.026 -8.391 -9.690 1.00 0.00 O ATOM 5 CB MET A 1 3.828 -5.945 -10.407 1.00 0.00 C ATOM 6 CG MET A 1 3.629 -4.697 -9.549 1.00 0.00 C ATOM 7 SD MET A 1 1.936 -4.397 -8.990 1.00 0.00 S ATOM 8 CE MET A 1 1.329 -3.512 -10.450 1.00 0.00 C ATOM 0 H1 MET A 1 5.435 -7.788 -10.986 1.00 0.00 H new ATOM 0 H2 MET A 1 5.245 -8.889 -9.708 1.00 0.00 H new ATOM 0 H3 MET A 1 4.041 -8.753 -10.898 1.00 0.00 H new ATOM 0 HA MET A 1 4.715 -6.885 -8.713 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.672 -5.794 -11.081 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.947 -6.104 -11.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.274 -4.773 -8.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.964 -3.830 -10.118 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.241 -3.454 -10.414 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.746 -2.505 -10.464 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.635 -4.044 -11.351 1.00 0.00 H new ATOM 20 N LEU A 2 2.522 -7.503 -7.680 1.00 0.00 N ATOM 21 CA LEU A 2 1.361 -8.078 -7.008 1.00 0.00 C ATOM 22 C LEU A 2 0.272 -7.016 -6.870 1.00 0.00 C ATOM 23 O LEU A 2 0.501 -5.969 -6.268 1.00 0.00 O ATOM 24 CB LEU A 2 1.822 -8.606 -5.643 1.00 0.00 C ATOM 25 CG LEU A 2 0.905 -9.652 -4.984 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.161 -9.650 -3.480 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.583 -9.428 -5.210 1.00 0.00 C ATOM 0 H LEU A 2 3.102 -6.911 -7.085 1.00 0.00 H new ATOM 0 HA LEU A 2 0.938 -8.902 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.814 -9.042 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.924 -7.760 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 2 1.151 -10.604 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.517 -10.387 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.204 -9.900 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.944 -8.661 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.149 -10.213 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.871 -8.458 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.796 -9.452 -6.279 1.00 0.00 H new ATOM 39 N ILE A 3 -0.914 -7.284 -7.428 1.00 0.00 N ATOM 40 CA ILE A 3 -2.044 -6.370 -7.387 1.00 0.00 C ATOM 41 C ILE A 3 -3.079 -6.917 -6.415 1.00 0.00 C ATOM 42 O ILE A 3 -3.226 -8.129 -6.266 1.00 0.00 O ATOM 43 CB ILE A 3 -2.671 -6.222 -8.786 1.00 0.00 C ATOM 44 CG1 ILE A 3 -1.783 -5.405 -9.729 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.023 -5.507 -8.724 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.622 -6.221 -10.282 1.00 0.00 C ATOM 0 H ILE A 3 -1.111 -8.153 -7.924 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.703 -5.388 -7.059 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.788 -7.239 -9.160 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.385 -5.028 -10.556 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.393 -4.537 -9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.435 -5.421 -9.729 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.709 -6.079 -8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.889 -4.512 -8.300 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.022 -5.597 -10.945 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.002 -6.576 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.010 -7.074 -10.839 1.00 0.00 H new ATOM 58 N LEU A 4 -3.792 -6.007 -5.749 1.00 0.00 N ATOM 59 CA LEU A 4 -4.890 -6.340 -4.857 1.00 0.00 C ATOM 60 C LEU A 4 -5.944 -5.246 -4.986 1.00 0.00 C ATOM 61 O LEU A 4 -5.698 -4.198 -5.586 1.00 0.00 O ATOM 62 CB LEU A 4 -4.405 -6.431 -3.402 1.00 0.00 C ATOM 63 CG LEU A 4 -3.428 -7.585 -3.147 1.00 0.00 C ATOM 64 CD1 LEU A 4 -2.910 -7.510 -1.712 1.00 0.00 C ATOM 65 CD2 LEU A 4 -4.112 -8.941 -3.301 1.00 0.00 C ATOM 0 H LEU A 4 -3.616 -5.005 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.305 -7.310 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.923 -5.492 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.269 -6.547 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.621 -7.491 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.216 -8.331 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.397 -6.561 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.748 -7.585 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.390 -9.736 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.931 -9.019 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.504 -9.038 -4.314 1.00 0.00 H new ATOM 77 N THR A 5 -7.120 -5.493 -4.415 1.00 0.00 N ATOM 78 CA THR A 5 -8.217 -4.550 -4.461 1.00 0.00 C ATOM 79 C THR A 5 -8.716 -4.343 -3.044 1.00 0.00 C ATOM 80 O THR A 5 -8.789 -5.284 -2.255 1.00 0.00 O ATOM 81 CB THR A 5 -9.300 -5.098 -5.392 1.00 0.00 C ATOM 82 OG1 THR A 5 -8.749 -5.277 -6.677 1.00 0.00 O ATOM 83 CG2 THR A 5 -10.486 -4.146 -5.517 1.00 0.00 C ATOM 0 H THR A 5 -7.332 -6.353 -3.910 1.00 0.00 H new ATOM 0 HA THR A 5 -7.908 -3.583 -4.857 1.00 0.00 H new ATOM 0 HB THR A 5 -9.654 -6.038 -4.969 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.435 -5.630 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.229 -4.577 -6.188 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.931 -3.989 -4.535 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.146 -3.191 -5.918 1.00 0.00 H new ATOM 91 N ARG A 6 -9.065 -3.103 -2.717 1.00 0.00 N ATOM 92 CA ARG A 6 -9.493 -2.716 -1.381 1.00 0.00 C ATOM 93 C ARG A 6 -10.630 -1.717 -1.500 1.00 0.00 C ATOM 94 O ARG A 6 -10.965 -1.277 -2.600 1.00 0.00 O ATOM 95 CB ARG A 6 -8.320 -2.079 -0.626 1.00 0.00 C ATOM 96 CG ARG A 6 -7.272 -3.104 -0.174 1.00 0.00 C ATOM 97 CD ARG A 6 -7.613 -3.721 1.184 1.00 0.00 C ATOM 98 NE ARG A 6 -8.911 -4.407 1.182 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.106 -5.705 0.941 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.089 -6.512 0.639 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.342 -6.192 1.003 1.00 0.00 N ATOM 0 H ARG A 6 -9.058 -2.330 -3.382 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.831 -3.595 -0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.843 -1.337 -1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.702 -1.549 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.194 -3.894 -0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.296 -2.622 -0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.833 -4.429 1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.621 -2.939 1.943 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.736 -3.842 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.140 -6.140 0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.259 -7.501 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.122 -5.576 1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.510 -7.182 0.822 1.00 0.00 H new ATOM 115 N LYS A 7 -11.228 -1.356 -0.367 1.00 0.00 N ATOM 116 CA LYS A 7 -12.290 -0.366 -0.322 1.00 0.00 C ATOM 117 C LYS A 7 -11.944 0.612 0.793 1.00 0.00 C ATOM 118 O LYS A 7 -11.274 0.225 1.754 1.00 0.00 O ATOM 119 CB LYS A 7 -13.642 -1.054 -0.107 1.00 0.00 C ATOM 120 CG LYS A 7 -13.714 -2.365 -0.898 1.00 0.00 C ATOM 121 CD LYS A 7 -15.130 -2.942 -0.896 1.00 0.00 C ATOM 122 CE LYS A 7 -15.069 -4.423 -1.263 1.00 0.00 C ATOM 123 NZ LYS A 7 -16.409 -5.036 -1.249 1.00 0.00 N ATOM 0 H LYS A 7 -10.986 -1.745 0.544 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.375 0.180 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.789 -1.255 0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.448 -0.390 -0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.392 -2.190 -1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.024 -3.090 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.585 -2.817 0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.756 -2.404 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.626 -4.536 -2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.420 -4.947 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.333 -6.042 -1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.821 -4.949 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -17.020 -4.551 -1.937 1.00 0.00 H new ATOM 137 N VAL A 8 -12.383 1.867 0.680 1.00 0.00 N ATOM 138 CA VAL A 8 -11.941 2.873 1.637 1.00 0.00 C ATOM 139 C VAL A 8 -12.341 2.490 3.054 1.00 0.00 C ATOM 140 O VAL A 8 -13.527 2.409 3.382 1.00 0.00 O ATOM 141 CB VAL A 8 -12.381 4.281 1.235 1.00 0.00 C ATOM 142 CG1 VAL A 8 -11.796 4.596 -0.142 1.00 0.00 C ATOM 143 CG2 VAL A 8 -13.881 4.522 1.157 1.00 0.00 C ATOM 0 H VAL A 8 -13.023 2.200 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.851 2.900 1.622 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.015 4.926 2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.100 5.598 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.708 4.545 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.163 3.870 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.069 5.555 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.320 3.849 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.331 4.335 2.132 1.00 0.00 H new ATOM 153 N GLY A 9 -11.331 2.249 3.894 1.00 0.00 N ATOM 154 CA GLY A 9 -11.524 1.791 5.261 1.00 0.00 C ATOM 155 C GLY A 9 -10.833 0.452 5.522 1.00 0.00 C ATOM 156 O GLY A 9 -10.993 -0.111 6.605 1.00 0.00 O ATOM 0 H GLY A 9 -10.351 2.369 3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.136 2.539 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.591 1.693 5.463 1.00 0.00 H new ATOM 160 N GLU A 10 -10.070 -0.059 4.551 1.00 0.00 N ATOM 161 CA GLU A 10 -9.393 -1.347 4.670 1.00 0.00 C ATOM 162 C GLU A 10 -7.875 -1.183 4.560 1.00 0.00 C ATOM 163 O GLU A 10 -7.377 -0.065 4.423 1.00 0.00 O ATOM 164 CB GLU A 10 -9.927 -2.307 3.608 1.00 0.00 C ATOM 165 CG GLU A 10 -11.432 -2.531 3.770 1.00 0.00 C ATOM 166 CD GLU A 10 -11.955 -3.546 2.759 1.00 0.00 C ATOM 167 OE1 GLU A 10 -11.449 -3.541 1.616 1.00 0.00 O ATOM 168 OE2 GLU A 10 -12.856 -4.327 3.135 1.00 0.00 O ATOM 0 H GLU A 10 -9.906 0.412 3.661 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.600 -1.766 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.721 -1.906 2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.405 -3.261 3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.643 -2.880 4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.958 -1.585 3.643 1.00 0.00 H new ATOM 175 N SER A 11 -7.134 -2.293 4.624 1.00 0.00 N ATOM 176 CA SER A 11 -5.679 -2.258 4.683 1.00 0.00 C ATOM 177 C SER A 11 -5.018 -3.512 4.110 1.00 0.00 C ATOM 178 O SER A 11 -5.674 -4.513 3.830 1.00 0.00 O ATOM 179 CB SER A 11 -5.244 -2.049 6.135 1.00 0.00 C ATOM 180 OG SER A 11 -6.085 -2.756 7.025 1.00 0.00 O ATOM 0 H SER A 11 -7.528 -3.234 4.636 1.00 0.00 H new ATOM 0 HA SER A 11 -5.348 -1.429 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.214 -2.382 6.261 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.267 -0.986 6.375 1.00 0.00 H new ATOM 0 HG SER A 11 -5.785 -2.608 7.946 1.00 0.00 H new ATOM 186 N ILE A 12 -3.694 -3.424 3.947 1.00 0.00 N ATOM 187 CA ILE A 12 -2.827 -4.441 3.359 1.00 0.00 C ATOM 188 C ILE A 12 -1.588 -4.587 4.250 1.00 0.00 C ATOM 189 O ILE A 12 -1.359 -3.746 5.116 1.00 0.00 O ATOM 190 CB ILE A 12 -2.440 -3.996 1.934 1.00 0.00 C ATOM 191 CG1 ILE A 12 -3.666 -3.817 1.027 1.00 0.00 C ATOM 192 CG2 ILE A 12 -1.484 -4.987 1.269 1.00 0.00 C ATOM 193 CD1 ILE A 12 -4.409 -5.127 0.761 1.00 0.00 C ATOM 0 H ILE A 12 -3.174 -2.596 4.238 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.331 -5.405 3.294 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.942 -3.034 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.351 -3.104 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.349 -3.386 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.236 -4.637 0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.573 -5.067 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.961 -5.965 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.265 -4.935 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.737 -5.834 0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.755 -5.547 1.705 1.00 0.00 H new ATOM 205 N ASN A 13 -0.789 -5.640 4.064 1.00 0.00 N ATOM 206 CA ASN A 13 0.341 -5.930 4.937 1.00 0.00 C ATOM 207 C ASN A 13 1.557 -6.387 4.128 1.00 0.00 C ATOM 208 O ASN A 13 1.408 -7.014 3.077 1.00 0.00 O ATOM 209 CB ASN A 13 -0.104 -7.014 5.925 1.00 0.00 C ATOM 210 CG ASN A 13 0.813 -7.108 7.136 1.00 0.00 C ATOM 211 OD1 ASN A 13 1.991 -7.430 7.016 1.00 0.00 O ATOM 212 ND2 ASN A 13 0.270 -6.824 8.317 1.00 0.00 N ATOM 0 H ASN A 13 -0.910 -6.311 3.305 1.00 0.00 H new ATOM 0 HA ASN A 13 0.643 -5.031 5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.120 -6.803 6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.129 -7.978 5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.837 -6.870 9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.714 -6.560 8.376 1.00 0.00 H new ATOM 219 N ILE A 14 2.759 -6.070 4.622 1.00 0.00 N ATOM 220 CA ILE A 14 4.018 -6.423 3.976 1.00 0.00 C ATOM 221 C ILE A 14 5.066 -6.796 5.029 1.00 0.00 C ATOM 222 O ILE A 14 5.078 -6.254 6.135 1.00 0.00 O ATOM 223 CB ILE A 14 4.524 -5.243 3.126 1.00 0.00 C ATOM 224 CG1 ILE A 14 3.494 -4.878 2.044 1.00 0.00 C ATOM 225 CG2 ILE A 14 5.874 -5.596 2.488 1.00 0.00 C ATOM 226 CD1 ILE A 14 3.955 -3.713 1.168 1.00 0.00 C ATOM 0 H ILE A 14 2.881 -5.554 5.493 1.00 0.00 H new ATOM 0 HA ILE A 14 3.850 -7.282 3.326 1.00 0.00 H new ATOM 0 HB ILE A 14 4.659 -4.377 3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.307 -5.749 1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.548 -4.619 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.224 -4.756 1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.601 -5.811 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.757 -6.472 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.192 -3.496 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.116 -2.832 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.886 -3.980 0.669 1.00 0.00 H new ATOM 238 N GLY A 15 5.952 -7.730 4.675 1.00 0.00 N ATOM 239 CA GLY A 15 7.021 -8.163 5.556 1.00 0.00 C ATOM 240 C GLY A 15 6.465 -8.670 6.882 1.00 0.00 C ATOM 241 O GLY A 15 5.485 -9.415 6.908 1.00 0.00 O ATOM 0 H GLY A 15 5.942 -8.202 3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.597 -8.953 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.705 -7.334 5.738 1.00 0.00 H new ATOM 245 N ASP A 16 7.103 -8.257 7.978 1.00 0.00 N ATOM 246 CA ASP A 16 6.690 -8.599 9.334 1.00 0.00 C ATOM 247 C ASP A 16 6.624 -7.334 10.201 1.00 0.00 C ATOM 248 O ASP A 16 6.389 -7.415 11.406 1.00 0.00 O ATOM 249 CB ASP A 16 7.659 -9.643 9.897 1.00 0.00 C ATOM 250 CG ASP A 16 7.227 -10.166 11.266 1.00 0.00 C ATOM 251 OD1 ASP A 16 6.065 -10.615 11.377 1.00 0.00 O ATOM 252 OD2 ASP A 16 8.066 -10.115 12.194 1.00 0.00 O ATOM 0 H ASP A 16 7.934 -7.666 7.945 1.00 0.00 H new ATOM 0 HA ASP A 16 5.689 -9.031 9.331 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.733 -10.478 9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.654 -9.205 9.977 1.00 0.00 H new ATOM 257 N ASP A 17 6.833 -6.164 9.585 1.00 0.00 N ATOM 258 CA ASP A 17 6.897 -4.892 10.291 1.00 0.00 C ATOM 259 C ASP A 17 6.269 -3.753 9.481 1.00 0.00 C ATOM 260 O ASP A 17 6.469 -2.589 9.826 1.00 0.00 O ATOM 261 CB ASP A 17 8.355 -4.552 10.608 1.00 0.00 C ATOM 262 CG ASP A 17 9.019 -5.608 11.488 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.810 -5.547 12.720 1.00 0.00 O ATOM 264 OD2 ASP A 17 9.735 -6.466 10.921 1.00 0.00 O ATOM 0 H ASP A 17 6.962 -6.080 8.577 1.00 0.00 H new ATOM 0 HA ASP A 17 6.326 -4.997 11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.914 -4.455 9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.399 -3.585 11.109 1.00 0.00 H new ATOM 269 N ILE A 18 5.518 -4.058 8.415 1.00 0.00 N ATOM 270 CA ILE A 18 4.932 -3.015 7.582 1.00 0.00 C ATOM 271 C ILE A 18 3.461 -3.312 7.310 1.00 0.00 C ATOM 272 O ILE A 18 3.077 -4.452 7.050 1.00 0.00 O ATOM 273 CB ILE A 18 5.709 -2.917 6.260 1.00 0.00 C ATOM 274 CG1 ILE A 18 7.189 -2.612 6.519 1.00 0.00 C ATOM 275 CG2 ILE A 18 5.085 -1.840 5.366 1.00 0.00 C ATOM 276 CD1 ILE A 18 8.003 -2.678 5.226 1.00 0.00 C ATOM 0 H ILE A 18 5.307 -5.010 8.116 1.00 0.00 H new ATOM 0 HA ILE A 18 4.996 -2.062 8.108 1.00 0.00 H new ATOM 0 HB ILE A 18 5.649 -3.878 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.286 -1.621 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.589 -3.325 7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.641 -1.776 4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.048 -2.099 5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.122 -0.877 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.048 -2.457 5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.924 -3.677 4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.617 -1.947 4.516 1.00 0.00 H new ATOM 288 N THR A 19 2.632 -2.266 7.372 1.00 0.00 N ATOM 289 CA THR A 19 1.210 -2.358 7.076 1.00 0.00 C ATOM 290 C THR A 19 0.786 -1.068 6.386 1.00 0.00 C ATOM 291 O THR A 19 1.378 -0.022 6.638 1.00 0.00 O ATOM 292 CB THR A 19 0.421 -2.569 8.373 1.00 0.00 C ATOM 293 OG1 THR A 19 1.030 -3.573 9.157 1.00 0.00 O ATOM 294 CG2 THR A 19 -1.015 -2.999 8.095 1.00 0.00 C ATOM 0 H THR A 19 2.936 -1.328 7.631 1.00 0.00 H new ATOM 0 HA THR A 19 1.008 -3.206 6.421 1.00 0.00 H new ATOM 0 HB THR A 19 0.416 -1.615 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.518 -3.698 9.983 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.542 -3.139 9.039 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.518 -2.230 7.509 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.013 -3.936 7.538 1.00 0.00 H new ATOM 302 N ILE A 20 -0.227 -1.130 5.519 1.00 0.00 N ATOM 303 CA ILE A 20 -0.643 0.004 4.701 1.00 0.00 C ATOM 304 C ILE A 20 -2.164 0.114 4.761 1.00 0.00 C ATOM 305 O ILE A 20 -2.844 -0.898 4.909 1.00 0.00 O ATOM 306 CB ILE A 20 -0.184 -0.212 3.253 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.286 -0.646 3.154 1.00 0.00 C ATOM 308 CG2 ILE A 20 -0.392 1.066 2.442 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.276 0.433 3.595 1.00 0.00 C ATOM 0 H ILE A 20 -0.782 -1.972 5.366 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.194 0.924 5.075 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.792 -1.021 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.435 -1.536 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.504 -0.928 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.063 0.903 1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.449 1.332 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.188 1.876 2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.294 0.055 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.155 1.316 2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.086 0.698 4.635 1.00 0.00 H new ATOM 321 N THR A 21 -2.708 1.331 4.648 1.00 0.00 N ATOM 322 CA THR A 21 -4.142 1.556 4.800 1.00 0.00 C ATOM 323 C THR A 21 -4.646 2.580 3.782 1.00 0.00 C ATOM 324 O THR A 21 -3.904 3.476 3.381 1.00 0.00 O ATOM 325 CB THR A 21 -4.415 2.045 6.230 1.00 0.00 C ATOM 326 OG1 THR A 21 -3.841 1.156 7.163 1.00 0.00 O ATOM 327 CG2 THR A 21 -5.913 2.143 6.525 1.00 0.00 C ATOM 0 H THR A 21 -2.171 2.175 4.451 1.00 0.00 H new ATOM 0 HA THR A 21 -4.674 0.622 4.619 1.00 0.00 H new ATOM 0 HB THR A 21 -3.972 3.037 6.316 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.019 1.476 8.072 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.060 2.492 7.547 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.375 2.845 5.831 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.372 1.161 6.408 1.00 0.00 H new ATOM 335 N ILE A 22 -5.905 2.442 3.370 1.00 0.00 N ATOM 336 CA ILE A 22 -6.568 3.362 2.452 1.00 0.00 C ATOM 337 C ILE A 22 -7.629 4.149 3.224 1.00 0.00 C ATOM 338 O ILE A 22 -8.742 3.674 3.429 1.00 0.00 O ATOM 339 CB ILE A 22 -7.120 2.598 1.235 1.00 0.00 C ATOM 340 CG1 ILE A 22 -7.999 3.477 0.339 1.00 0.00 C ATOM 341 CG2 ILE A 22 -7.924 1.357 1.621 1.00 0.00 C ATOM 342 CD1 ILE A 22 -7.208 4.641 -0.251 1.00 0.00 C ATOM 0 H ILE A 22 -6.503 1.673 3.672 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.861 4.086 2.046 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.231 2.289 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.417 2.874 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.839 3.862 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.286 0.863 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.288 0.671 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.773 1.651 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.862 5.243 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.812 5.258 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.383 4.254 -0.850 1.00 0.00 H new ATOM 354 N LEU A 23 -7.273 5.365 3.654 1.00 0.00 N ATOM 355 CA LEU A 23 -8.169 6.180 4.461 1.00 0.00 C ATOM 356 C LEU A 23 -9.366 6.639 3.631 1.00 0.00 C ATOM 357 O LEU A 23 -10.465 6.790 4.164 1.00 0.00 O ATOM 358 CB LEU A 23 -7.420 7.392 5.023 1.00 0.00 C ATOM 359 CG LEU A 23 -6.204 7.007 5.871 1.00 0.00 C ATOM 360 CD1 LEU A 23 -5.662 8.265 6.536 1.00 0.00 C ATOM 361 CD2 LEU A 23 -6.553 5.979 6.941 1.00 0.00 C ATOM 0 H LEU A 23 -6.372 5.800 3.454 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.534 5.576 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.094 8.025 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.105 7.986 5.629 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.458 6.556 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.795 8.010 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.369 8.984 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.434 8.703 7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.660 5.736 7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.314 6.389 7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.935 5.075 6.466 1.00 0.00 H new ATOM 373 N GLY A 24 -9.155 6.860 2.331 1.00 0.00 N ATOM 374 CA GLY A 24 -10.244 7.132 1.412 1.00 0.00 C ATOM 375 C GLY A 24 -9.786 7.737 0.093 1.00 0.00 C ATOM 376 O GLY A 24 -8.597 7.755 -0.224 1.00 0.00 O ATOM 0 H GLY A 24 -8.232 6.854 1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.780 6.204 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.951 7.811 1.889 1.00 0.00 H new ATOM 380 N VAL A 25 -10.756 8.234 -0.671 1.00 0.00 N ATOM 381 CA VAL A 25 -10.538 8.723 -2.020 1.00 0.00 C ATOM 382 C VAL A 25 -11.200 10.088 -2.190 1.00 0.00 C ATOM 383 O VAL A 25 -12.152 10.420 -1.480 1.00 0.00 O ATOM 384 CB VAL A 25 -11.087 7.681 -3.003 1.00 0.00 C ATOM 385 CG1 VAL A 25 -12.596 7.467 -2.821 1.00 0.00 C ATOM 386 CG2 VAL A 25 -10.820 8.080 -4.452 1.00 0.00 C ATOM 0 H VAL A 25 -11.725 8.307 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.475 8.861 -2.220 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.564 6.750 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.947 6.722 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.795 7.119 -1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.120 8.408 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.223 7.318 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.300 9.036 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.746 8.171 -4.612 1.00 0.00 H new ATOM 396 N SER A 26 -10.691 10.876 -3.137 1.00 0.00 N ATOM 397 CA SER A 26 -11.140 12.233 -3.393 1.00 0.00 C ATOM 398 C SER A 26 -11.077 12.496 -4.894 1.00 0.00 C ATOM 399 O SER A 26 -10.366 13.392 -5.348 1.00 0.00 O ATOM 400 CB SER A 26 -10.274 13.232 -2.625 1.00 0.00 C ATOM 401 OG SER A 26 -10.363 12.997 -1.237 1.00 0.00 O ATOM 0 H SER A 26 -9.939 10.577 -3.758 1.00 0.00 H new ATOM 0 HA SER A 26 -12.168 12.355 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.237 13.147 -2.949 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.596 14.249 -2.849 1.00 0.00 H new ATOM 0 HG SER A 26 -9.802 13.643 -0.759 1.00 0.00 H new ATOM 407 N GLY A 27 -11.830 11.707 -5.664 1.00 0.00 N ATOM 408 CA GLY A 27 -11.846 11.837 -7.109 1.00 0.00 C ATOM 409 C GLY A 27 -10.513 11.394 -7.695 1.00 0.00 C ATOM 410 O GLY A 27 -10.093 10.251 -7.510 1.00 0.00 O ATOM 0 H GLY A 27 -12.436 10.971 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.653 11.234 -7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.046 12.872 -7.385 1.00 0.00 H new ATOM 414 N GLN A 28 -9.842 12.306 -8.404 1.00 0.00 N ATOM 415 CA GLN A 28 -8.552 12.040 -9.023 1.00 0.00 C ATOM 416 C GLN A 28 -7.450 11.836 -7.982 1.00 0.00 C ATOM 417 O GLN A 28 -6.355 11.390 -8.326 1.00 0.00 O ATOM 418 CB GLN A 28 -8.213 13.231 -9.928 1.00 0.00 C ATOM 419 CG GLN A 28 -7.242 12.861 -11.052 1.00 0.00 C ATOM 420 CD GLN A 28 -7.854 11.873 -12.036 1.00 0.00 C ATOM 421 OE1 GLN A 28 -7.253 10.852 -12.357 1.00 0.00 O ATOM 422 NE2 GLN A 28 -9.057 12.158 -12.530 1.00 0.00 N ATOM 0 H GLN A 28 -10.185 13.253 -8.562 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.614 11.117 -9.599 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.132 13.625 -10.362 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.778 14.028 -9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.943 13.764 -11.584 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.338 12.431 -10.622 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.535 13.013 -12.247 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.501 11.521 -13.192 1.00 0.00 H new ATOM 431 N GLN A 29 -7.727 12.155 -6.711 1.00 0.00 N ATOM 432 CA GLN A 29 -6.743 12.035 -5.646 1.00 0.00 C ATOM 433 C GLN A 29 -7.139 10.958 -4.642 1.00 0.00 C ATOM 434 O GLN A 29 -8.277 10.489 -4.621 1.00 0.00 O ATOM 435 CB GLN A 29 -6.542 13.368 -4.924 1.00 0.00 C ATOM 436 CG GLN A 29 -6.057 14.455 -5.879 1.00 0.00 C ATOM 437 CD GLN A 29 -5.361 15.563 -5.103 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.136 15.597 -5.017 1.00 0.00 O ATOM 439 NE2 GLN A 29 -6.138 16.473 -4.531 1.00 0.00 N ATOM 0 H GLN A 29 -8.635 12.501 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.801 11.745 -6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.480 13.679 -4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.819 13.241 -4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.371 14.027 -6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.901 14.865 -6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.152 16.410 -4.626 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.722 17.236 -3.997 1.00 0.00 H new ATOM 448 N VAL A 30 -6.171 10.583 -3.807 1.00 0.00 N ATOM 449 CA VAL A 30 -6.301 9.498 -2.842 1.00 0.00 C ATOM 450 C VAL A 30 -5.611 9.865 -1.526 1.00 0.00 C ATOM 451 O VAL A 30 -4.649 10.637 -1.517 1.00 0.00 O ATOM 452 CB VAL A 30 -5.684 8.231 -3.446 1.00 0.00 C ATOM 453 CG1 VAL A 30 -5.638 7.090 -2.433 1.00 0.00 C ATOM 454 CG2 VAL A 30 -6.496 7.758 -4.655 1.00 0.00 C ATOM 0 H VAL A 30 -5.257 11.035 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.354 9.322 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.669 8.490 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.195 6.209 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.037 7.390 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.650 6.856 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.042 6.858 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.517 7.539 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.508 8.540 -5.414 1.00 0.00 H new ATOM 464 N ARG A 31 -6.110 9.305 -0.419 1.00 0.00 N ATOM 465 CA ARG A 31 -5.593 9.525 0.924 1.00 0.00 C ATOM 466 C ARG A 31 -5.274 8.169 1.542 1.00 0.00 C ATOM 467 O ARG A 31 -6.162 7.338 1.728 1.00 0.00 O ATOM 468 CB ARG A 31 -6.645 10.280 1.750 1.00 0.00 C ATOM 469 CG ARG A 31 -6.146 11.640 2.237 1.00 0.00 C ATOM 470 CD ARG A 31 -5.109 11.513 3.358 1.00 0.00 C ATOM 471 NE ARG A 31 -4.740 12.838 3.866 1.00 0.00 N ATOM 472 CZ ARG A 31 -5.434 13.509 4.792 1.00 0.00 C ATOM 473 NH1 ARG A 31 -6.505 12.981 5.374 1.00 0.00 N ATOM 474 NH2 ARG A 31 -5.059 14.733 5.148 1.00 0.00 N ATOM 0 H ARG A 31 -6.907 8.669 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.684 10.126 0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.542 10.421 1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.931 9.673 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.708 12.184 1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.992 12.228 2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.512 10.905 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.223 11.000 2.986 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.900 13.276 3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.815 12.044 5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.017 13.513 6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.241 15.162 4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.589 15.244 5.854 1.00 0.00 H new ATOM 488 N ILE A 32 -3.999 7.951 1.858 1.00 0.00 N ATOM 489 CA ILE A 32 -3.498 6.658 2.309 1.00 0.00 C ATOM 490 C ILE A 32 -2.543 6.829 3.481 1.00 0.00 C ATOM 491 O ILE A 32 -1.956 7.894 3.665 1.00 0.00 O ATOM 492 CB ILE A 32 -2.778 5.936 1.160 1.00 0.00 C ATOM 493 CG1 ILE A 32 -1.873 6.908 0.391 1.00 0.00 C ATOM 494 CG2 ILE A 32 -3.812 5.290 0.238 1.00 0.00 C ATOM 495 CD1 ILE A 32 -1.087 6.206 -0.712 1.00 0.00 C ATOM 0 H ILE A 32 -3.281 8.673 1.807 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.349 6.060 2.633 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.139 5.153 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.481 7.701 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.179 7.383 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.302 4.777 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.405 4.572 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.467 6.060 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.460 6.932 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.459 5.431 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.780 5.754 -1.421 1.00 0.00 H new ATOM 507 N GLY A 33 -2.390 5.767 4.272 1.00 0.00 N ATOM 508 CA GLY A 33 -1.504 5.752 5.421 1.00 0.00 C ATOM 509 C GLY A 33 -0.523 4.592 5.327 1.00 0.00 C ATOM 510 O GLY A 33 -0.746 3.632 4.592 1.00 0.00 O ATOM 0 H GLY A 33 -2.886 4.887 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.958 6.693 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.089 5.667 6.337 1.00 0.00 H new ATOM 514 N ILE A 34 0.570 4.693 6.081 1.00 0.00 N ATOM 515 CA ILE A 34 1.636 3.703 6.105 1.00 0.00 C ATOM 516 C ILE A 34 2.016 3.484 7.557 1.00 0.00 C ATOM 517 O ILE A 34 2.174 4.446 8.309 1.00 0.00 O ATOM 518 CB ILE A 34 2.841 4.236 5.318 1.00 0.00 C ATOM 519 CG1 ILE A 34 2.464 4.377 3.841 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.041 3.292 5.474 1.00 0.00 C ATOM 521 CD1 ILE A 34 3.567 5.064 3.044 1.00 0.00 C ATOM 0 H ILE A 34 0.739 5.483 6.704 1.00 0.00 H new ATOM 0 HA ILE A 34 1.314 2.766 5.651 1.00 0.00 H new ATOM 0 HB ILE A 34 3.121 5.213 5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.269 3.391 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.541 4.949 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.888 3.684 4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.310 3.217 6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.779 2.304 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.264 5.147 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.743 6.060 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.483 4.477 3.111 1.00 0.00 H new ATOM 533 N ASN A 35 2.163 2.222 7.949 1.00 0.00 N ATOM 534 CA ASN A 35 2.420 1.855 9.326 1.00 0.00 C ATOM 535 C ASN A 35 3.661 0.971 9.383 1.00 0.00 C ATOM 536 O ASN A 35 3.594 -0.242 9.582 1.00 0.00 O ATOM 537 CB ASN A 35 1.175 1.195 9.913 1.00 0.00 C ATOM 538 CG ASN A 35 1.158 1.265 11.434 1.00 0.00 C ATOM 539 OD1 ASN A 35 2.187 1.153 12.089 1.00 0.00 O ATOM 540 ND2 ASN A 35 -0.029 1.454 12.004 1.00 0.00 N ATOM 0 H ASN A 35 2.106 1.426 7.313 1.00 0.00 H new ATOM 0 HA ASN A 35 2.627 2.733 9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.285 1.683 9.517 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.134 0.153 9.597 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.104 1.510 13.020 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.864 1.543 11.425 1.00 0.00 H new ATOM 547 N ALA A 36 4.790 1.642 9.197 1.00 0.00 N ATOM 548 CA ALA A 36 6.125 1.084 9.309 1.00 0.00 C ATOM 549 C ALA A 36 6.890 1.905 10.343 1.00 0.00 C ATOM 550 O ALA A 36 6.522 3.049 10.609 1.00 0.00 O ATOM 551 CB ALA A 36 6.800 1.167 7.938 1.00 0.00 C ATOM 0 H ALA A 36 4.797 2.633 8.954 1.00 0.00 H new ATOM 0 HA ALA A 36 6.101 0.041 9.624 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.806 0.752 8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.219 0.599 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.857 2.209 7.623 1.00 0.00 H new ATOM 557 N PRO A 37 7.946 1.349 10.933 1.00 0.00 N ATOM 558 CA PRO A 37 8.751 2.050 11.911 1.00 0.00 C ATOM 559 C PRO A 37 9.659 3.037 11.193 1.00 0.00 C ATOM 560 O PRO A 37 9.973 2.851 10.020 1.00 0.00 O ATOM 561 CB PRO A 37 9.566 0.950 12.596 1.00 0.00 C ATOM 562 CG PRO A 37 9.760 -0.076 11.480 1.00 0.00 C ATOM 563 CD PRO A 37 8.451 0.010 10.705 1.00 0.00 C ATOM 0 HA PRO A 37 8.162 2.619 12.630 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.519 1.326 12.969 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.035 0.525 13.448 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.617 0.167 10.852 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.929 -1.077 11.877 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.613 -0.172 9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.741 -0.740 11.052 1.00 0.00 H new ATOM 571 N LYS A 38 10.092 4.095 11.886 1.00 0.00 N ATOM 572 CA LYS A 38 11.034 5.044 11.303 1.00 0.00 C ATOM 573 C LYS A 38 12.417 4.414 11.153 1.00 0.00 C ATOM 574 O LYS A 38 13.347 5.054 10.662 1.00 0.00 O ATOM 575 CB LYS A 38 11.067 6.330 12.127 1.00 0.00 C ATOM 576 CG LYS A 38 9.737 7.045 11.887 1.00 0.00 C ATOM 577 CD LYS A 38 9.764 8.486 12.383 1.00 0.00 C ATOM 578 CE LYS A 38 9.832 8.515 13.908 1.00 0.00 C ATOM 579 NZ LYS A 38 9.843 9.902 14.404 1.00 0.00 N ATOM 0 H LYS A 38 9.806 4.311 12.841 1.00 0.00 H new ATOM 0 HA LYS A 38 10.698 5.308 10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.200 6.107 13.186 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.904 6.960 11.826 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.506 7.033 10.822 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.938 6.503 12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.624 9.007 11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.873 9.013 12.041 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.978 7.982 14.325 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.728 7.996 14.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.890 9.899 15.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.672 10.401 14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.975 10.387 14.098 1.00 0.00 H new ATOM 593 N ASP A 39 12.549 3.155 11.572 1.00 0.00 N ATOM 594 CA ASP A 39 13.742 2.366 11.336 1.00 0.00 C ATOM 595 C ASP A 39 13.860 2.037 9.843 1.00 0.00 C ATOM 596 O ASP A 39 14.911 1.578 9.400 1.00 0.00 O ATOM 597 CB ASP A 39 13.700 1.084 12.169 1.00 0.00 C ATOM 598 CG ASP A 39 13.767 1.395 13.661 1.00 0.00 C ATOM 599 OD1 ASP A 39 14.899 1.606 14.155 1.00 0.00 O ATOM 600 OD2 ASP A 39 12.687 1.415 14.295 1.00 0.00 O ATOM 0 H ASP A 39 11.822 2.658 12.087 1.00 0.00 H new ATOM 0 HA ASP A 39 14.617 2.941 11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.785 0.534 11.950 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.533 0.439 11.891 1.00 0.00 H new ATOM 605 N VAL A 40 12.790 2.273 9.066 1.00 0.00 N ATOM 606 CA VAL A 40 12.846 2.194 7.616 1.00 0.00 C ATOM 607 C VAL A 40 12.301 3.478 7.000 1.00 0.00 C ATOM 608 O VAL A 40 11.361 4.091 7.511 1.00 0.00 O ATOM 609 CB VAL A 40 12.089 0.962 7.103 1.00 0.00 C ATOM 610 CG1 VAL A 40 12.599 -0.307 7.784 1.00 0.00 C ATOM 611 CG2 VAL A 40 10.583 1.066 7.327 1.00 0.00 C ATOM 0 H VAL A 40 11.871 2.522 9.433 1.00 0.00 H new ATOM 0 HA VAL A 40 13.887 2.085 7.312 1.00 0.00 H new ATOM 0 HB VAL A 40 12.274 0.915 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.049 -1.169 7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.661 -0.432 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.452 -0.226 8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.096 0.169 6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.380 1.164 8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.197 1.940 6.802 1.00 0.00 H new ATOM 621 N ALA A 41 12.909 3.887 5.886 1.00 0.00 N ATOM 622 CA ALA A 41 12.566 5.117 5.197 1.00 0.00 C ATOM 623 C ALA A 41 11.229 4.978 4.474 1.00 0.00 C ATOM 624 O ALA A 41 10.882 3.893 4.011 1.00 0.00 O ATOM 625 CB ALA A 41 13.675 5.444 4.201 1.00 0.00 C ATOM 0 H ALA A 41 13.661 3.363 5.437 1.00 0.00 H new ATOM 0 HA ALA A 41 12.469 5.924 5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.431 6.367 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 41 14.618 5.568 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 41 13.770 4.630 3.482 1.00 0.00 H new ATOM 631 N VAL A 42 10.483 6.079 4.376 1.00 0.00 N ATOM 632 CA VAL A 42 9.220 6.123 3.657 1.00 0.00 C ATOM 633 C VAL A 42 9.089 7.492 3.011 1.00 0.00 C ATOM 634 O VAL A 42 9.210 8.504 3.696 1.00 0.00 O ATOM 635 CB VAL A 42 8.066 5.889 4.637 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.725 6.014 3.921 1.00 0.00 C ATOM 637 CG2 VAL A 42 8.129 4.494 5.259 1.00 0.00 C ATOM 0 H VAL A 42 10.745 6.970 4.799 1.00 0.00 H new ATOM 0 HA VAL A 42 9.189 5.348 2.891 1.00 0.00 H new ATOM 0 HB VAL A 42 8.160 6.643 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.916 5.845 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.631 7.013 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.668 5.273 3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.295 4.365 5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.069 3.742 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.068 4.379 5.800 1.00 0.00 H new ATOM 647 N HIS A 43 8.836 7.536 1.699 1.00 0.00 N ATOM 648 CA HIS A 43 8.712 8.795 0.966 1.00 0.00 C ATOM 649 C HIS A 43 7.843 8.622 -0.276 1.00 0.00 C ATOM 650 O HIS A 43 7.603 7.501 -0.717 1.00 0.00 O ATOM 651 CB HIS A 43 10.096 9.290 0.530 1.00 0.00 C ATOM 652 CG HIS A 43 11.079 9.469 1.662 1.00 0.00 C ATOM 653 ND1 HIS A 43 11.205 10.614 2.447 1.00 0.00 N ATOM 654 CD2 HIS A 43 11.986 8.535 2.075 1.00 0.00 C ATOM 655 CE1 HIS A 43 12.190 10.343 3.318 1.00 0.00 C ATOM 656 NE2 HIS A 43 12.671 9.105 3.120 1.00 0.00 N ATOM 0 H HIS A 43 8.713 6.705 1.121 1.00 0.00 H new ATOM 0 HA HIS A 43 8.246 9.521 1.632 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.512 8.583 -0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.981 10.241 0.011 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.134 7.548 1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.547 11.027 4.074 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.418 8.663 3.655 1.00 0.00 H new ATOM 664 N ARG A 44 7.364 9.737 -0.842 1.00 0.00 N ATOM 665 CA ARG A 44 6.584 9.705 -2.075 1.00 0.00 C ATOM 666 C ARG A 44 7.516 9.442 -3.254 1.00 0.00 C ATOM 667 O ARG A 44 8.721 9.660 -3.135 1.00 0.00 O ATOM 668 CB ARG A 44 5.877 11.048 -2.302 1.00 0.00 C ATOM 669 CG ARG A 44 5.272 11.642 -1.031 1.00 0.00 C ATOM 670 CD ARG A 44 6.133 12.809 -0.541 1.00 0.00 C ATOM 671 NE ARG A 44 5.880 14.044 -1.294 1.00 0.00 N ATOM 672 CZ ARG A 44 6.010 15.277 -0.791 1.00 0.00 C ATOM 673 NH1 ARG A 44 6.377 15.464 0.475 1.00 0.00 N ATOM 674 NH2 ARG A 44 5.769 16.331 -1.562 1.00 0.00 N ATOM 0 H ARG A 44 7.506 10.672 -0.461 1.00 0.00 H new ATOM 0 HA ARG A 44 5.838 8.915 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.590 11.758 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.088 10.913 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.256 11.985 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.206 10.877 -0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.935 12.984 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.186 12.542 -0.629 1.00 0.00 H new ATOM 0 HE ARG A 44 5.585 13.956 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.563 14.661 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.472 16.410 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.486 16.199 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.867 17.273 -1.183 1.00 0.00 H new ATOM 688 N GLU A 45 6.999 8.983 -4.394 1.00 0.00 N ATOM 689 CA GLU A 45 7.833 8.885 -5.592 1.00 0.00 C ATOM 690 C GLU A 45 8.254 10.287 -6.036 1.00 0.00 C ATOM 691 O GLU A 45 9.256 10.465 -6.724 1.00 0.00 O ATOM 692 CB GLU A 45 7.103 8.116 -6.699 1.00 0.00 C ATOM 693 CG GLU A 45 5.909 8.875 -7.297 1.00 0.00 C ATOM 694 CD GLU A 45 6.326 9.907 -8.345 1.00 0.00 C ATOM 695 OE1 GLU A 45 7.066 9.523 -9.277 1.00 0.00 O ATOM 696 OE2 GLU A 45 5.897 11.073 -8.209 1.00 0.00 O ATOM 0 H GLU A 45 6.032 8.680 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 45 8.737 8.320 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.810 7.885 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.753 7.165 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.221 8.161 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.366 9.377 -6.496 1.00 0.00 H new ATOM 703 N GLU A 46 7.460 11.279 -5.622 1.00 0.00 N ATOM 704 CA GLU A 46 7.654 12.694 -5.887 1.00 0.00 C ATOM 705 C GLU A 46 8.900 13.248 -5.184 1.00 0.00 C ATOM 706 O GLU A 46 9.352 14.344 -5.508 1.00 0.00 O ATOM 707 CB GLU A 46 6.385 13.394 -5.393 1.00 0.00 C ATOM 708 CG GLU A 46 6.334 14.896 -5.665 1.00 0.00 C ATOM 709 CD GLU A 46 5.012 15.458 -5.155 1.00 0.00 C ATOM 710 OE1 GLU A 46 4.741 15.279 -3.945 1.00 0.00 O ATOM 711 OE2 GLU A 46 4.280 16.066 -5.965 1.00 0.00 O ATOM 0 H GLU A 46 6.624 11.100 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 46 7.820 12.866 -6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.521 12.924 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.291 13.230 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.168 15.395 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.435 15.087 -6.733 1.00 0.00 H new ATOM 718 N ILE A 47 9.456 12.503 -4.220 1.00 0.00 N ATOM 719 CA ILE A 47 10.592 12.963 -3.433 1.00 0.00 C ATOM 720 C ILE A 47 11.634 11.861 -3.258 1.00 0.00 C ATOM 721 O ILE A 47 12.804 12.165 -3.053 1.00 0.00 O ATOM 722 CB ILE A 47 10.086 13.499 -2.086 1.00 0.00 C ATOM 723 CG1 ILE A 47 9.543 14.918 -2.302 1.00 0.00 C ATOM 724 CG2 ILE A 47 11.164 13.505 -0.998 1.00 0.00 C ATOM 725 CD1 ILE A 47 9.374 15.673 -0.982 1.00 0.00 C ATOM 0 H ILE A 47 9.128 11.570 -3.970 1.00 0.00 H new ATOM 0 HA ILE A 47 11.094 13.772 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 47 9.302 12.830 -1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.221 15.471 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.583 14.865 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.743 13.895 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.522 12.488 -0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.995 14.136 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.988 16.673 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.675 15.135 -0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.339 15.750 -0.481 1.00 0.00 H new ATOM 737 N TYR A 48 11.262 10.580 -3.333 1.00 0.00 N ATOM 738 CA TYR A 48 12.240 9.536 -3.103 1.00 0.00 C ATOM 739 C TYR A 48 13.327 9.580 -4.171 1.00 0.00 C ATOM 740 O TYR A 48 14.489 9.280 -3.897 1.00 0.00 O ATOM 741 CB TYR A 48 11.562 8.171 -3.112 1.00 0.00 C ATOM 742 CG TYR A 48 12.566 7.076 -2.866 1.00 0.00 C ATOM 743 CD1 TYR A 48 12.904 6.725 -1.555 1.00 0.00 C ATOM 744 CD2 TYR A 48 13.165 6.426 -3.955 1.00 0.00 C ATOM 745 CE1 TYR A 48 13.852 5.722 -1.320 1.00 0.00 C ATOM 746 CE2 TYR A 48 14.117 5.424 -3.729 1.00 0.00 C ATOM 747 CZ TYR A 48 14.448 5.048 -2.409 1.00 0.00 C ATOM 748 OH TYR A 48 15.340 4.043 -2.181 1.00 0.00 O ATOM 0 H TYR A 48 10.318 10.256 -3.545 1.00 0.00 H new ATOM 0 HA TYR A 48 12.698 9.701 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.787 8.139 -2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.069 8.011 -4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.433 7.228 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.893 6.697 -4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.127 5.464 -0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.598 4.939 -4.565 1.00 0.00 H new ATOM 0 HH TYR A 48 15.655 3.685 -3.037 1.00 0.00 H new ATOM 758 N GLN A 49 12.944 9.955 -5.391 1.00 0.00 N ATOM 759 CA GLN A 49 13.866 10.010 -6.509 1.00 0.00 C ATOM 760 C GLN A 49 14.792 11.220 -6.406 1.00 0.00 C ATOM 761 O GLN A 49 15.794 11.290 -7.116 1.00 0.00 O ATOM 762 CB GLN A 49 13.061 10.050 -7.811 1.00 0.00 C ATOM 763 CG GLN A 49 12.127 8.843 -7.859 1.00 0.00 C ATOM 764 CD GLN A 49 11.367 8.770 -9.174 1.00 0.00 C ATOM 765 OE1 GLN A 49 11.880 8.272 -10.170 1.00 0.00 O ATOM 766 NE2 GLN A 49 10.135 9.274 -9.190 1.00 0.00 N ATOM 0 H GLN A 49 11.989 10.227 -5.625 1.00 0.00 H new ATOM 0 HA GLN A 49 14.498 9.122 -6.495 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.485 10.974 -7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 49 13.733 10.040 -8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.706 7.930 -7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.419 8.898 -7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.739 9.681 -8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.587 9.253 -10.050 1.00 0.00 H new ATOM 775 N ARG A 50 14.463 12.175 -5.525 1.00 0.00 N ATOM 776 CA ARG A 50 15.309 13.336 -5.289 1.00 0.00 C ATOM 777 C ARG A 50 16.243 13.062 -4.112 1.00 0.00 C ATOM 778 O ARG A 50 17.323 13.641 -4.040 1.00 0.00 O ATOM 779 CB ARG A 50 14.439 14.584 -5.078 1.00 0.00 C ATOM 780 CG ARG A 50 14.274 14.978 -3.606 1.00 0.00 C ATOM 781 CD ARG A 50 13.252 16.103 -3.462 1.00 0.00 C ATOM 782 NE ARG A 50 13.770 17.375 -3.987 1.00 0.00 N ATOM 783 CZ ARG A 50 13.383 17.957 -5.124 1.00 0.00 C ATOM 784 NH1 ARG A 50 12.457 17.407 -5.906 1.00 0.00 N ATOM 785 NH2 ARG A 50 13.934 19.112 -5.484 1.00 0.00 N ATOM 0 H ARG A 50 13.611 12.159 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 50 15.935 13.528 -6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 50 14.880 15.420 -5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.454 14.407 -5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 50 13.954 14.112 -3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 50 15.234 15.297 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.338 15.835 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.988 16.223 -2.411 1.00 0.00 H new ATOM 0 HE ARG A 50 14.484 17.852 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.026 16.521 -5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.178 17.871 -6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.645 19.544 -4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.646 19.566 -6.351 1.00 0.00 H new ATOM 799 N ILE A 51 15.830 12.178 -3.196 1.00 0.00 N ATOM 800 CA ILE A 51 16.659 11.759 -2.073 1.00 0.00 C ATOM 801 C ILE A 51 17.773 10.859 -2.593 1.00 0.00 C ATOM 802 O ILE A 51 18.949 11.078 -2.302 1.00 0.00 O ATOM 803 CB ILE A 51 15.796 10.991 -1.062 1.00 0.00 C ATOM 804 CG1 ILE A 51 14.776 11.932 -0.428 1.00 0.00 C ATOM 805 CG2 ILE A 51 16.644 10.377 0.055 1.00 0.00 C ATOM 806 CD1 ILE A 51 13.735 11.148 0.356 1.00 0.00 C ATOM 0 H ILE A 51 14.911 11.736 -3.218 1.00 0.00 H new ATOM 0 HA ILE A 51 17.092 12.630 -1.582 1.00 0.00 H new ATOM 0 HB ILE A 51 15.295 10.190 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 51 15.284 12.634 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 51 14.287 12.521 -1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 51 15.997 9.842 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 51 17.366 9.684 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 51 17.173 11.168 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.018 11.838 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.214 10.464 -0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 51 14.226 10.579 1.145 1.00 0.00 H new ATOM 818 N GLN A 52 17.400 9.840 -3.369 1.00 0.00 N ATOM 819 CA GLN A 52 18.341 8.849 -3.873 1.00 0.00 C ATOM 820 C GLN A 52 19.219 9.423 -4.978 1.00 0.00 C ATOM 821 O GLN A 52 20.001 8.694 -5.587 1.00 0.00 O ATOM 822 CB GLN A 52 17.571 7.596 -4.306 1.00 0.00 C ATOM 823 CG GLN A 52 16.904 6.970 -3.087 1.00 0.00 C ATOM 824 CD GLN A 52 17.868 6.852 -1.913 1.00 0.00 C ATOM 825 OE1 GLN A 52 18.880 6.157 -1.982 1.00 0.00 O ATOM 826 NE2 GLN A 52 17.556 7.541 -0.819 1.00 0.00 N ATOM 0 H GLN A 52 16.436 9.682 -3.663 1.00 0.00 H new ATOM 0 HA GLN A 52 19.028 8.561 -3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 52 16.820 7.856 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 52 18.249 6.881 -4.771 1.00 0.00 H new ATOM 0 HG2 GLN A 52 16.045 7.573 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 52 16.525 5.982 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 52 16.708 8.107 -0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 52 18.165 7.503 -0.001 1.00 0.00 H new ATOM 835 N ALA A 53 19.096 10.728 -5.242 1.00 0.00 N ATOM 836 CA ALA A 53 19.934 11.397 -6.214 1.00 0.00 C ATOM 837 C ALA A 53 21.373 11.519 -5.699 1.00 0.00 C ATOM 838 O ALA A 53 22.290 11.741 -6.489 1.00 0.00 O ATOM 839 CB ALA A 53 19.350 12.777 -6.520 1.00 0.00 C ATOM 0 H ALA A 53 18.416 11.336 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 53 19.959 10.807 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.979 13.284 -7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.343 12.665 -6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 53 19.311 13.367 -5.604 1.00 0.00 H new ATOM 845 N GLY A 54 21.574 11.383 -4.382 1.00 0.00 N ATOM 846 CA GLY A 54 22.901 11.440 -3.782 1.00 0.00 C ATOM 847 C GLY A 54 22.923 12.255 -2.488 1.00 0.00 C ATOM 848 O GLY A 54 23.997 12.631 -2.022 1.00 0.00 O ATOM 0 H GLY A 54 20.821 11.231 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.247 10.427 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.600 11.877 -4.495 1.00 0.00 H new ATOM 852 N LEU A 55 21.750 12.524 -1.907 1.00 0.00 N ATOM 853 CA LEU A 55 21.611 13.384 -0.743 1.00 0.00 C ATOM 854 C LEU A 55 20.626 12.788 0.263 1.00 0.00 C ATOM 855 O LEU A 55 20.195 11.650 0.116 1.00 0.00 O ATOM 856 CB LEU A 55 21.183 14.771 -1.227 1.00 0.00 C ATOM 857 CG LEU A 55 19.894 14.758 -2.062 1.00 0.00 C ATOM 858 CD1 LEU A 55 18.648 14.534 -1.209 1.00 0.00 C ATOM 859 CD2 LEU A 55 19.757 16.109 -2.754 1.00 0.00 C ATOM 0 H LEU A 55 20.864 12.143 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 55 22.561 13.470 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 55 21.040 15.420 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 55 21.987 15.204 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 55 19.967 13.936 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 55 17.765 14.534 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 55 18.725 13.575 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 55 18.563 15.333 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 55 18.846 16.120 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 55 19.708 16.899 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 55 20.619 16.276 -3.400 1.00 0.00 H new ATOM 871 N THR A 56 20.277 13.565 1.292 1.00 0.00 N ATOM 872 CA THR A 56 19.309 13.163 2.300 1.00 0.00 C ATOM 873 C THR A 56 18.400 14.344 2.650 1.00 0.00 C ATOM 874 O THR A 56 18.583 15.444 2.128 1.00 0.00 O ATOM 875 CB THR A 56 20.037 12.632 3.538 1.00 0.00 C ATOM 876 OG1 THR A 56 20.901 13.616 4.056 1.00 0.00 O ATOM 877 CG2 THR A 56 20.856 11.393 3.169 1.00 0.00 C ATOM 0 H THR A 56 20.665 14.496 1.445 1.00 0.00 H new ATOM 0 HA THR A 56 18.683 12.362 1.907 1.00 0.00 H new ATOM 0 HB THR A 56 19.293 12.371 4.291 1.00 0.00 H new ATOM 0 HG1 THR A 56 21.359 13.265 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 56 21.371 11.021 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 56 20.192 10.619 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 56 21.589 11.655 2.406 1.00 0.00 H new ATOM 885 N ALA A 57 17.420 14.122 3.529 1.00 0.00 N ATOM 886 CA ALA A 57 16.447 15.141 3.905 1.00 0.00 C ATOM 887 C ALA A 57 17.130 16.447 4.335 1.00 0.00 C ATOM 888 O ALA A 57 18.212 16.423 4.922 1.00 0.00 O ATOM 889 CB ALA A 57 15.569 14.609 5.035 1.00 0.00 C ATOM 0 H ALA A 57 17.282 13.227 3.999 1.00 0.00 H new ATOM 0 HA ALA A 57 15.833 15.366 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.841 15.369 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 57 15.047 13.713 4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 57 16.192 14.365 5.896 1.00 0.00 H new ATOM 895 N PRO A 58 16.495 17.592 4.040 1.00 0.00 N ATOM 896 CA PRO A 58 17.004 18.911 4.364 1.00 0.00 C ATOM 897 C PRO A 58 16.848 19.243 5.842 1.00 0.00 C ATOM 898 O PRO A 58 16.500 18.393 6.663 1.00 0.00 O ATOM 899 CB PRO A 58 16.191 19.872 3.500 1.00 0.00 C ATOM 900 CG PRO A 58 14.849 19.158 3.344 1.00 0.00 C ATOM 901 CD PRO A 58 15.220 17.679 3.357 1.00 0.00 C ATOM 0 HA PRO A 58 18.074 18.978 4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.076 20.844 3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.668 20.047 2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.167 19.406 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.353 19.438 2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.461 17.091 3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.293 17.286 2.343 1.00 0.00 H new ATOM 909 N ASP A 59 17.114 20.507 6.171 1.00 0.00 N ATOM 910 CA ASP A 59 17.049 21.032 7.524 1.00 0.00 C ATOM 911 C ASP A 59 16.365 22.401 7.542 1.00 0.00 C ATOM 912 O ASP A 59 15.822 22.804 8.570 1.00 0.00 O ATOM 913 CB ASP A 59 18.487 21.139 8.020 1.00 0.00 C ATOM 914 CG ASP A 59 18.573 21.809 9.394 1.00 0.00 C ATOM 915 OD1 ASP A 59 18.190 21.148 10.385 1.00 0.00 O ATOM 916 OD2 ASP A 59 19.024 22.975 9.441 1.00 0.00 O ATOM 0 H ASP A 59 17.387 21.208 5.482 1.00 0.00 H new ATOM 0 HA ASP A 59 16.462 20.378 8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.926 20.143 8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.077 21.709 7.302 1.00 0.00 H new ATOM 1635 N MET C 1 1.513 6.825 12.472 1.00 0.00 N ATOM 1636 CA MET C 1 1.248 6.361 11.098 1.00 0.00 C ATOM 1637 C MET C 1 1.519 7.491 10.110 1.00 0.00 C ATOM 1638 O MET C 1 1.078 8.614 10.348 1.00 0.00 O ATOM 1639 CB MET C 1 -0.197 5.862 10.981 1.00 0.00 C ATOM 1640 CG MET C 1 -0.350 4.968 9.754 1.00 0.00 C ATOM 1641 SD MET C 1 -1.936 4.096 9.633 1.00 0.00 S ATOM 1642 CE MET C 1 -3.061 5.507 9.514 1.00 0.00 C ATOM 0 H1 MET C 1 0.758 6.489 13.104 1.00 0.00 H new ATOM 0 H2 MET C 1 2.427 6.449 12.795 1.00 0.00 H new ATOM 0 H3 MET C 1 1.541 7.865 12.488 1.00 0.00 H new ATOM 0 HA MET C 1 1.913 5.531 10.862 1.00 0.00 H new ATOM 0 HB2 MET C 1 -0.472 5.309 11.879 1.00 0.00 H new ATOM 0 HB3 MET C 1 -0.877 6.711 10.908 1.00 0.00 H new ATOM 0 HG2 MET C 1 -0.219 5.578 8.860 1.00 0.00 H new ATOM 0 HG3 MET C 1 0.453 4.231 9.758 1.00 0.00 H new ATOM 0 HE1 MET C 1 -4.085 5.148 9.415 1.00 0.00 H new ATOM 0 HE2 MET C 1 -2.976 6.117 10.413 1.00 0.00 H new ATOM 0 HE3 MET C 1 -2.801 6.107 8.642 1.00 0.00 H new ATOM 1654 N LEU C 2 2.236 7.219 9.012 1.00 0.00 N ATOM 1655 CA LEU C 2 2.630 8.248 8.062 1.00 0.00 C ATOM 1656 C LEU C 2 1.599 8.340 6.934 1.00 0.00 C ATOM 1657 O LEU C 2 1.602 7.517 6.018 1.00 0.00 O ATOM 1658 CB LEU C 2 4.027 7.901 7.518 1.00 0.00 C ATOM 1659 CG LEU C 2 4.830 9.090 6.955 1.00 0.00 C ATOM 1660 CD1 LEU C 2 5.806 8.577 5.902 1.00 0.00 C ATOM 1661 CD2 LEU C 2 3.975 10.198 6.352 1.00 0.00 C ATOM 0 H LEU C 2 2.554 6.282 8.765 1.00 0.00 H new ATOM 0 HA LEU C 2 2.671 9.222 8.550 1.00 0.00 H new ATOM 0 HB2 LEU C 2 4.606 7.440 8.318 1.00 0.00 H new ATOM 0 HB3 LEU C 2 3.917 7.154 6.732 1.00 0.00 H new ATOM 0 HG LEU C 2 5.349 9.538 7.802 1.00 0.00 H new ATOM 0 HD11 LEU C 2 6.378 9.412 5.499 1.00 0.00 H new ATOM 0 HD12 LEU C 2 6.486 7.857 6.357 1.00 0.00 H new ATOM 0 HD13 LEU C 2 5.252 8.094 5.097 1.00 0.00 H new ATOM 0 HD21 LEU C 2 4.620 10.994 5.980 1.00 0.00 H new ATOM 0 HD22 LEU C 2 3.385 9.795 5.529 1.00 0.00 H new ATOM 0 HD23 LEU C 2 3.307 10.598 7.115 1.00 0.00 H new ATOM 1673 N ILE C 3 0.711 9.335 6.995 1.00 0.00 N ATOM 1674 CA ILE C 3 -0.294 9.556 5.962 1.00 0.00 C ATOM 1675 C ILE C 3 0.315 10.391 4.844 1.00 0.00 C ATOM 1676 O ILE C 3 1.176 11.230 5.087 1.00 0.00 O ATOM 1677 CB ILE C 3 -1.542 10.251 6.533 1.00 0.00 C ATOM 1678 CG1 ILE C 3 -2.404 9.281 7.346 1.00 0.00 C ATOM 1679 CG2 ILE C 3 -2.462 10.770 5.425 1.00 0.00 C ATOM 1680 CD1 ILE C 3 -1.784 8.922 8.689 1.00 0.00 C ATOM 0 H ILE C 3 0.671 10.007 7.762 1.00 0.00 H new ATOM 0 HA ILE C 3 -0.610 8.590 5.569 1.00 0.00 H new ATOM 0 HB ILE C 3 -1.157 11.065 7.148 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -3.385 9.726 7.512 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -2.560 8.370 6.768 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -3.331 11.254 5.871 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -1.921 11.490 4.811 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -2.790 9.936 4.804 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -2.440 8.232 9.220 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -0.815 8.450 8.528 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -1.653 9.827 9.283 1.00 0.00 H new ATOM 1692 N LEU C 4 -0.149 10.146 3.619 1.00 0.00 N ATOM 1693 CA LEU C 4 0.286 10.877 2.446 1.00 0.00 C ATOM 1694 C LEU C 4 -0.899 11.051 1.506 1.00 0.00 C ATOM 1695 O LEU C 4 -1.922 10.378 1.643 1.00 0.00 O ATOM 1696 CB LEU C 4 1.416 10.106 1.746 1.00 0.00 C ATOM 1697 CG LEU C 4 2.694 10.039 2.589 1.00 0.00 C ATOM 1698 CD1 LEU C 4 3.711 9.119 1.920 1.00 0.00 C ATOM 1699 CD2 LEU C 4 3.335 11.419 2.724 1.00 0.00 C ATOM 0 H LEU C 4 -0.844 9.426 3.419 1.00 0.00 H new ATOM 0 HA LEU C 4 0.663 11.858 2.736 1.00 0.00 H new ATOM 0 HB2 LEU C 4 1.077 9.094 1.525 1.00 0.00 H new ATOM 0 HB3 LEU C 4 1.639 10.583 0.792 1.00 0.00 H new ATOM 0 HG LEU C 4 2.418 9.662 3.574 1.00 0.00 H new ATOM 0 HD11 LEU C 4 4.617 9.077 2.525 1.00 0.00 H new ATOM 0 HD12 LEU C 4 3.290 8.118 1.826 1.00 0.00 H new ATOM 0 HD13 LEU C 4 3.954 9.504 0.930 1.00 0.00 H new ATOM 0 HD21 LEU C 4 4.240 11.342 3.327 1.00 0.00 H new ATOM 0 HD22 LEU C 4 3.589 11.801 1.735 1.00 0.00 H new ATOM 0 HD23 LEU C 4 2.634 12.100 3.207 1.00 0.00 H new ATOM 1711 N THR C 5 -0.752 11.959 0.544 1.00 0.00 N ATOM 1712 CA THR C 5 -1.780 12.251 -0.438 1.00 0.00 C ATOM 1713 C THR C 5 -1.136 12.168 -1.814 1.00 0.00 C ATOM 1714 O THR C 5 -0.064 12.726 -2.049 1.00 0.00 O ATOM 1715 CB THR C 5 -2.371 13.633 -0.162 1.00 0.00 C ATOM 1716 OG1 THR C 5 -2.954 13.635 1.121 1.00 0.00 O ATOM 1717 CG2 THR C 5 -3.444 14.008 -1.182 1.00 0.00 C ATOM 0 H THR C 5 0.095 12.516 0.428 1.00 0.00 H new ATOM 0 HA THR C 5 -2.601 11.536 -0.386 1.00 0.00 H new ATOM 0 HB THR C 5 -1.563 14.361 -0.231 1.00 0.00 H new ATOM 0 HG1 THR C 5 -3.334 14.519 1.306 1.00 0.00 H new ATOM 0 HG21 THR C 5 -3.838 14.997 -0.949 1.00 0.00 H new ATOM 0 HG22 THR C 5 -3.009 14.017 -2.181 1.00 0.00 H new ATOM 0 HG23 THR C 5 -4.252 13.278 -1.145 1.00 0.00 H new ATOM 1725 N ARG C 6 -1.800 11.460 -2.726 1.00 0.00 N ATOM 1726 CA ARG C 6 -1.258 11.160 -4.040 1.00 0.00 C ATOM 1727 C ARG C 6 -2.409 11.084 -5.039 1.00 0.00 C ATOM 1728 O ARG C 6 -3.572 11.149 -4.635 1.00 0.00 O ATOM 1729 CB ARG C 6 -0.517 9.822 -3.926 1.00 0.00 C ATOM 1730 CG ARG C 6 0.566 9.608 -4.984 1.00 0.00 C ATOM 1731 CD ARG C 6 1.769 10.533 -4.786 1.00 0.00 C ATOM 1732 NE ARG C 6 1.618 11.804 -5.503 1.00 0.00 N ATOM 1733 CZ ARG C 6 2.259 12.938 -5.193 1.00 0.00 C ATOM 1734 NH1 ARG C 6 3.057 13.009 -4.131 1.00 0.00 N ATOM 1735 NH2 ARG C 6 2.096 14.009 -5.964 1.00 0.00 N ATOM 0 H ARG C 6 -2.733 11.079 -2.569 1.00 0.00 H new ATOM 0 HA ARG C 6 -0.567 11.928 -4.388 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -0.061 9.756 -2.938 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -1.242 9.012 -3.997 1.00 0.00 H new ATOM 0 HG2 ARG C 6 0.900 8.571 -4.953 1.00 0.00 H new ATOM 0 HG3 ARG C 6 0.141 9.776 -5.974 1.00 0.00 H new ATOM 0 HD2 ARG C 6 1.900 10.732 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG C 6 2.672 10.029 -5.130 1.00 0.00 H new ATOM 0 HE ARG C 6 0.977 11.825 -6.296 1.00 0.00 H new ATOM 0 HH11 ARG C 6 3.189 12.191 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG C 6 3.537 13.882 -3.911 1.00 0.00 H new ATOM 0 HH21 ARG C 6 1.488 13.961 -6.781 1.00 0.00 H new ATOM 0 HH22 ARG C 6 2.579 14.878 -5.738 1.00 0.00 H new ATOM 1749 N LYS C 7 -2.110 10.943 -6.332 1.00 0.00 N ATOM 1750 CA LYS C 7 -3.148 10.834 -7.345 1.00 0.00 C ATOM 1751 C LYS C 7 -3.018 9.506 -8.077 1.00 0.00 C ATOM 1752 O LYS C 7 -1.949 8.895 -8.081 1.00 0.00 O ATOM 1753 CB LYS C 7 -3.068 12.001 -8.329 1.00 0.00 C ATOM 1754 CG LYS C 7 -2.854 13.343 -7.623 1.00 0.00 C ATOM 1755 CD LYS C 7 -3.358 14.477 -8.520 1.00 0.00 C ATOM 1756 CE LYS C 7 -2.895 15.830 -7.983 1.00 0.00 C ATOM 1757 NZ LYS C 7 -3.399 16.924 -8.831 1.00 0.00 N ATOM 0 H LYS C 7 -1.158 10.902 -6.696 1.00 0.00 H new ATOM 0 HA LYS C 7 -4.121 10.873 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -2.251 11.827 -9.030 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -3.986 12.043 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -3.385 13.354 -6.671 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -1.797 13.484 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -2.989 14.337 -9.536 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -4.447 14.452 -8.570 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -3.249 15.962 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -1.806 15.861 -7.949 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -3.074 17.836 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -3.040 16.806 -9.800 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -4.439 16.904 -8.842 1.00 0.00 H new ATOM 1771 N VAL C 8 -4.108 9.048 -8.696 1.00 0.00 N ATOM 1772 CA VAL C 8 -4.071 7.769 -9.385 1.00 0.00 C ATOM 1773 C VAL C 8 -3.095 7.833 -10.557 1.00 0.00 C ATOM 1774 O VAL C 8 -3.088 8.805 -11.311 1.00 0.00 O ATOM 1775 CB VAL C 8 -5.472 7.332 -9.823 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -6.355 7.157 -8.591 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -6.174 8.312 -10.755 1.00 0.00 C ATOM 0 H VAL C 8 -5.004 9.534 -8.732 1.00 0.00 H new ATOM 0 HA VAL C 8 -3.711 7.008 -8.692 1.00 0.00 H new ATOM 0 HB VAL C 8 -5.330 6.402 -10.374 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -7.353 6.846 -8.900 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -5.924 6.397 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -6.420 8.103 -8.053 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.159 7.925 -11.015 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -6.283 9.275 -10.255 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -5.583 8.439 -11.662 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.275 6.792 -10.699 1.00 0.00 N ATOM 1788 CA GLY C 9 -1.258 6.726 -11.739 1.00 0.00 C ATOM 1789 C GLY C 9 0.135 7.031 -11.181 1.00 0.00 C ATOM 1790 O GLY C 9 1.119 6.974 -11.918 1.00 0.00 O ATOM 0 H GLY C 9 -2.300 5.971 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.261 5.734 -12.190 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -1.498 7.437 -12.530 1.00 0.00 H new ATOM 1794 N GLU C 10 0.224 7.355 -9.886 1.00 0.00 N ATOM 1795 CA GLU C 10 1.488 7.660 -9.225 1.00 0.00 C ATOM 1796 C GLU C 10 1.883 6.545 -8.246 1.00 0.00 C ATOM 1797 O GLU C 10 1.226 5.507 -8.189 1.00 0.00 O ATOM 1798 CB GLU C 10 1.372 9.010 -8.514 1.00 0.00 C ATOM 1799 CG GLU C 10 1.075 10.133 -9.508 1.00 0.00 C ATOM 1800 CD GLU C 10 1.017 11.492 -8.809 1.00 0.00 C ATOM 1801 OE1 GLU C 10 0.234 11.614 -7.841 1.00 0.00 O ATOM 1802 OE2 GLU C 10 1.761 12.399 -9.246 1.00 0.00 O ATOM 0 H GLU C 10 -0.586 7.412 -9.268 1.00 0.00 H new ATOM 0 HA GLU C 10 2.278 7.721 -9.973 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.580 8.964 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU C 10 2.299 9.226 -7.984 1.00 0.00 H new ATOM 0 HG2 GLU C 10 1.844 10.151 -10.280 1.00 0.00 H new ATOM 0 HG3 GLU C 10 0.126 9.938 -10.008 1.00 0.00 H new ATOM 1809 N SER C 11 2.957 6.765 -7.481 1.00 0.00 N ATOM 1810 CA SER C 11 3.544 5.736 -6.627 1.00 0.00 C ATOM 1811 C SER C 11 4.091 6.310 -5.321 1.00 0.00 C ATOM 1812 O SER C 11 4.194 7.524 -5.152 1.00 0.00 O ATOM 1813 CB SER C 11 4.677 5.040 -7.389 1.00 0.00 C ATOM 1814 OG SER C 11 4.173 4.415 -8.553 1.00 0.00 O ATOM 0 H SER C 11 3.441 7.662 -7.439 1.00 0.00 H new ATOM 0 HA SER C 11 2.757 5.027 -6.370 1.00 0.00 H new ATOM 0 HB2 SER C 11 5.442 5.767 -7.661 1.00 0.00 H new ATOM 0 HB3 SER C 11 5.154 4.299 -6.748 1.00 0.00 H new ATOM 0 HG SER C 11 4.906 3.975 -9.032 1.00 0.00 H new ATOM 1820 N ILE C 12 4.447 5.406 -4.403 1.00 0.00 N ATOM 1821 CA ILE C 12 5.031 5.704 -3.096 1.00 0.00 C ATOM 1822 C ILE C 12 6.168 4.704 -2.867 1.00 0.00 C ATOM 1823 O ILE C 12 6.259 3.714 -3.590 1.00 0.00 O ATOM 1824 CB ILE C 12 3.948 5.584 -2.008 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.765 6.535 -2.259 1.00 0.00 C ATOM 1826 CG2 ILE C 12 4.524 5.854 -0.614 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.134 8.013 -2.140 1.00 0.00 C ATOM 0 H ILE C 12 4.330 4.405 -4.559 1.00 0.00 H new ATOM 0 HA ILE C 12 5.423 6.720 -3.055 1.00 0.00 H new ATOM 0 HB ILE C 12 3.583 4.558 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.364 6.348 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.970 6.309 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE C 12 3.733 5.761 0.131 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.311 5.131 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE C 12 4.938 6.862 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE C 12 2.252 8.625 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE C 12 3.507 8.215 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.907 8.255 -2.870 1.00 0.00 H new ATOM 1839 N ASN C 13 7.043 4.937 -1.884 1.00 0.00 N ATOM 1840 CA ASN C 13 8.202 4.086 -1.668 1.00 0.00 C ATOM 1841 C ASN C 13 8.451 3.836 -0.181 1.00 0.00 C ATOM 1842 O ASN C 13 8.150 4.683 0.656 1.00 0.00 O ATOM 1843 CB ASN C 13 9.414 4.752 -2.326 1.00 0.00 C ATOM 1844 CG ASN C 13 10.624 3.828 -2.349 1.00 0.00 C ATOM 1845 OD1 ASN C 13 11.359 3.725 -1.374 1.00 0.00 O ATOM 1846 ND2 ASN C 13 10.833 3.155 -3.475 1.00 0.00 N ATOM 0 H ASN C 13 6.964 5.713 -1.226 1.00 0.00 H new ATOM 0 HA ASN C 13 8.023 3.110 -2.118 1.00 0.00 H new ATOM 0 HB2 ASN C 13 9.160 5.043 -3.345 1.00 0.00 H new ATOM 0 HB3 ASN C 13 9.664 5.665 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN C 13 11.630 2.523 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN C 13 10.196 3.270 -4.264 1.00 0.00 H new ATOM 1853 N ILE C 14 9.004 2.659 0.132 1.00 0.00 N ATOM 1854 CA ILE C 14 9.315 2.238 1.493 1.00 0.00 C ATOM 1855 C ILE C 14 10.629 1.459 1.508 1.00 0.00 C ATOM 1856 O ILE C 14 10.959 0.759 0.550 1.00 0.00 O ATOM 1857 CB ILE C 14 8.171 1.362 2.039 1.00 0.00 C ATOM 1858 CG1 ILE C 14 6.851 2.149 2.036 1.00 0.00 C ATOM 1859 CG2 ILE C 14 8.508 0.866 3.452 1.00 0.00 C ATOM 1860 CD1 ILE C 14 5.676 1.331 2.574 1.00 0.00 C ATOM 0 H ILE C 14 9.251 1.962 -0.571 1.00 0.00 H new ATOM 0 HA ILE C 14 9.421 3.118 2.127 1.00 0.00 H new ATOM 0 HB ILE C 14 8.053 0.493 1.392 1.00 0.00 H new ATOM 0 HG12 ILE C 14 6.968 3.049 2.639 1.00 0.00 H new ATOM 0 HG13 ILE C 14 6.628 2.473 1.019 1.00 0.00 H new ATOM 0 HG21 ILE C 14 7.691 0.248 3.825 1.00 0.00 H new ATOM 0 HG22 ILE C 14 9.424 0.276 3.422 1.00 0.00 H new ATOM 0 HG23 ILE C 14 8.648 1.721 4.114 1.00 0.00 H new ATOM 0 HD11 ILE C 14 4.770 1.936 2.549 1.00 0.00 H new ATOM 0 HD12 ILE C 14 5.537 0.444 1.956 1.00 0.00 H new ATOM 0 HD13 ILE C 14 5.883 1.029 3.601 1.00 0.00 H new ATOM 1872 N GLY C 15 11.387 1.580 2.599 1.00 0.00 N ATOM 1873 CA GLY C 15 12.649 0.878 2.757 1.00 0.00 C ATOM 1874 C GLY C 15 13.599 1.224 1.617 1.00 0.00 C ATOM 1875 O GLY C 15 13.710 2.387 1.219 1.00 0.00 O ATOM 0 H GLY C 15 11.138 2.169 3.394 1.00 0.00 H new ATOM 0 HA2 GLY C 15 13.104 1.145 3.711 1.00 0.00 H new ATOM 0 HA3 GLY C 15 12.473 -0.198 2.778 1.00 0.00 H new ATOM 1879 N ASP C 16 14.285 0.204 1.101 1.00 0.00 N ATOM 1880 CA ASP C 16 15.212 0.339 -0.015 1.00 0.00 C ATOM 1881 C ASP C 16 14.906 -0.719 -1.078 1.00 0.00 C ATOM 1882 O ASP C 16 15.637 -0.851 -2.057 1.00 0.00 O ATOM 1883 CB ASP C 16 16.650 0.219 0.490 1.00 0.00 C ATOM 1884 CG ASP C 16 16.994 1.314 1.496 1.00 0.00 C ATOM 1885 OD1 ASP C 16 17.388 2.411 1.037 1.00 0.00 O ATOM 1886 OD2 ASP C 16 16.858 1.052 2.714 1.00 0.00 O ATOM 0 H ASP C 16 14.209 -0.750 1.453 1.00 0.00 H new ATOM 0 HA ASP C 16 15.093 1.321 -0.473 1.00 0.00 H new ATOM 0 HB2 ASP C 16 16.791 -0.757 0.954 1.00 0.00 H new ATOM 0 HB3 ASP C 16 17.337 0.273 -0.355 1.00 0.00 H new ATOM 1891 N ASP C 17 13.818 -1.477 -0.885 1.00 0.00 N ATOM 1892 CA ASP C 17 13.450 -2.583 -1.761 1.00 0.00 C ATOM 1893 C ASP C 17 11.936 -2.696 -1.935 1.00 0.00 C ATOM 1894 O ASP C 17 11.458 -3.704 -2.458 1.00 0.00 O ATOM 1895 CB ASP C 17 13.998 -3.889 -1.179 1.00 0.00 C ATOM 1896 CG ASP C 17 15.524 -3.892 -1.109 1.00 0.00 C ATOM 1897 OD1 ASP C 17 16.142 -4.143 -2.164 1.00 0.00 O ATOM 1898 OD2 ASP C 17 16.058 -3.646 -0.002 1.00 0.00 O ATOM 0 H ASP C 17 13.169 -1.334 -0.111 1.00 0.00 H new ATOM 0 HA ASP C 17 13.881 -2.392 -2.744 1.00 0.00 H new ATOM 0 HB2 ASP C 17 13.590 -4.039 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP C 17 13.662 -4.727 -1.790 1.00 0.00 H new ATOM 1903 N ILE C 18 11.160 -1.688 -1.510 1.00 0.00 N ATOM 1904 CA ILE C 18 9.710 -1.741 -1.622 1.00 0.00 C ATOM 1905 C ILE C 18 9.187 -0.458 -2.263 1.00 0.00 C ATOM 1906 O ILE C 18 9.634 0.641 -1.943 1.00 0.00 O ATOM 1907 CB ILE C 18 9.087 -1.946 -0.233 1.00 0.00 C ATOM 1908 CG1 ILE C 18 9.622 -3.229 0.410 1.00 0.00 C ATOM 1909 CG2 ILE C 18 7.559 -1.998 -0.349 1.00 0.00 C ATOM 1910 CD1 ILE C 18 9.136 -3.370 1.856 1.00 0.00 C ATOM 0 H ILE C 18 11.519 -0.832 -1.088 1.00 0.00 H new ATOM 0 HA ILE C 18 9.429 -2.582 -2.257 1.00 0.00 H new ATOM 0 HB ILE C 18 9.362 -1.106 0.405 1.00 0.00 H new ATOM 0 HG12 ILE C 18 9.298 -4.092 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE C 18 10.712 -3.222 0.389 1.00 0.00 H new ATOM 0 HG21 ILE C 18 7.124 -2.144 0.640 1.00 0.00 H new ATOM 0 HG22 ILE C 18 7.194 -1.062 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE C 18 7.271 -2.826 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE C 18 9.532 -4.290 2.285 1.00 0.00 H new ATOM 0 HD12 ILE C 18 9.483 -2.518 2.441 1.00 0.00 H new ATOM 0 HD13 ILE C 18 8.047 -3.402 1.872 1.00 0.00 H new ATOM 1922 N THR C 19 8.227 -0.609 -3.176 1.00 0.00 N ATOM 1923 CA THR C 19 7.580 0.509 -3.845 1.00 0.00 C ATOM 1924 C THR C 19 6.125 0.131 -4.061 1.00 0.00 C ATOM 1925 O THR C 19 5.817 -1.045 -4.243 1.00 0.00 O ATOM 1926 CB THR C 19 8.278 0.811 -5.178 1.00 0.00 C ATOM 1927 OG1 THR C 19 9.678 0.808 -5.013 1.00 0.00 O ATOM 1928 CG2 THR C 19 7.883 2.184 -5.708 1.00 0.00 C ATOM 0 H THR C 19 7.877 -1.520 -3.471 1.00 0.00 H new ATOM 0 HA THR C 19 7.644 1.412 -3.239 1.00 0.00 H new ATOM 0 HB THR C 19 7.970 0.037 -5.881 1.00 0.00 H new ATOM 0 HG1 THR C 19 10.109 1.001 -5.872 1.00 0.00 H new ATOM 0 HG21 THR C 19 8.393 2.370 -6.653 1.00 0.00 H new ATOM 0 HG22 THR C 19 6.805 2.217 -5.865 1.00 0.00 H new ATOM 0 HG23 THR C 19 8.168 2.949 -4.985 1.00 0.00 H new ATOM 1936 N ILE C 20 5.220 1.112 -4.048 1.00 0.00 N ATOM 1937 CA ILE C 20 3.782 0.865 -4.095 1.00 0.00 C ATOM 1938 C ILE C 20 3.171 1.761 -5.163 1.00 0.00 C ATOM 1939 O ILE C 20 3.683 2.848 -5.418 1.00 0.00 O ATOM 1940 CB ILE C 20 3.169 1.156 -2.718 1.00 0.00 C ATOM 1941 CG1 ILE C 20 3.927 0.473 -1.569 1.00 0.00 C ATOM 1942 CG2 ILE C 20 1.703 0.724 -2.692 1.00 0.00 C ATOM 1943 CD1 ILE C 20 3.870 -1.053 -1.622 1.00 0.00 C ATOM 0 H ILE C 20 5.467 2.101 -4.004 1.00 0.00 H new ATOM 0 HA ILE C 20 3.579 -0.176 -4.345 1.00 0.00 H new ATOM 0 HB ILE C 20 3.247 2.232 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE C 20 4.969 0.791 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE C 20 3.512 0.811 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE C 20 1.279 0.935 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE C 20 1.148 1.273 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE C 20 1.635 -0.345 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE C 20 4.426 -1.467 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE C 20 2.832 -1.380 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE C 20 4.311 -1.401 -2.556 1.00 0.00 H new ATOM 1955 N THR C 21 2.079 1.315 -5.787 1.00 0.00 N ATOM 1956 CA THR C 21 1.464 2.049 -6.880 1.00 0.00 C ATOM 1957 C THR C 21 -0.053 2.040 -6.742 1.00 0.00 C ATOM 1958 O THR C 21 -0.637 1.067 -6.270 1.00 0.00 O ATOM 1959 CB THR C 21 1.876 1.406 -8.209 1.00 0.00 C ATOM 1960 OG1 THR C 21 3.280 1.299 -8.286 1.00 0.00 O ATOM 1961 CG2 THR C 21 1.394 2.225 -9.406 1.00 0.00 C ATOM 0 H THR C 21 1.605 0.444 -5.548 1.00 0.00 H new ATOM 0 HA THR C 21 1.802 3.085 -6.853 1.00 0.00 H new ATOM 0 HB THR C 21 1.414 0.419 -8.242 1.00 0.00 H new ATOM 0 HG1 THR C 21 3.671 2.192 -8.388 1.00 0.00 H new ATOM 0 HG21 THR C 21 1.705 1.737 -10.330 1.00 0.00 H new ATOM 0 HG22 THR C 21 0.307 2.298 -9.383 1.00 0.00 H new ATOM 0 HG23 THR C 21 1.826 3.225 -9.360 1.00 0.00 H new ATOM 1969 N ILE C 22 -0.689 3.139 -7.158 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.135 3.297 -7.143 1.00 0.00 C ATOM 1971 C ILE C 22 -2.637 3.277 -8.587 1.00 0.00 C ATOM 1972 O ILE C 22 -2.583 4.284 -9.291 1.00 0.00 O ATOM 1973 CB ILE C 22 -2.518 4.571 -6.368 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -3.995 4.947 -6.544 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -1.668 5.778 -6.771 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -4.919 3.857 -6.011 1.00 0.00 C ATOM 0 H ILE C 22 -0.198 3.956 -7.521 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.621 2.475 -6.617 1.00 0.00 H new ATOM 0 HB ILE C 22 -2.330 4.326 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -4.197 5.883 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.204 5.118 -7.600 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -1.978 6.650 -6.195 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.618 5.566 -6.571 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.802 5.979 -7.834 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -5.957 4.158 -6.153 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -4.734 2.928 -6.550 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -4.727 3.705 -4.949 1.00 0.00 H new ATOM 1988 N LEU C 23 -3.128 2.114 -9.030 1.00 0.00 N ATOM 1989 CA LEU C 23 -3.559 1.936 -10.408 1.00 0.00 C ATOM 1990 C LEU C 23 -4.785 2.797 -10.707 1.00 0.00 C ATOM 1991 O LEU C 23 -4.930 3.285 -11.828 1.00 0.00 O ATOM 1992 CB LEU C 23 -3.849 0.460 -10.690 1.00 0.00 C ATOM 1993 CG LEU C 23 -2.669 -0.462 -10.363 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -3.013 -1.881 -10.798 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -1.388 -0.019 -11.070 1.00 0.00 C ATOM 0 H LEU C 23 -3.234 1.284 -8.447 1.00 0.00 H new ATOM 0 HA LEU C 23 -2.752 2.259 -11.066 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -4.716 0.149 -10.107 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -4.112 0.343 -11.741 1.00 0.00 H new ATOM 0 HG LEU C 23 -2.493 -0.417 -9.288 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -2.179 -2.544 -10.569 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -3.902 -2.219 -10.266 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -3.205 -1.896 -11.871 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -0.576 -0.699 -10.812 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -1.544 -0.034 -12.149 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -1.129 0.992 -10.755 1.00 0.00 H new ATOM 2007 N GLY C 24 -5.663 2.995 -9.718 1.00 0.00 N ATOM 2008 CA GLY C 24 -6.748 3.962 -9.831 1.00 0.00 C ATOM 2009 C GLY C 24 -8.004 3.594 -9.047 1.00 0.00 C ATOM 2010 O GLY C 24 -8.070 2.555 -8.392 1.00 0.00 O ATOM 0 H GLY C 24 -5.639 2.494 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -6.391 4.933 -9.487 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -7.011 4.074 -10.883 1.00 0.00 H new ATOM 2014 N VAL C 25 -9.000 4.480 -9.130 1.00 0.00 N ATOM 2015 CA VAL C 25 -10.272 4.338 -8.431 1.00 0.00 C ATOM 2016 C VAL C 25 -11.157 3.290 -9.098 1.00 0.00 C ATOM 2017 O VAL C 25 -10.980 2.961 -10.272 1.00 0.00 O ATOM 2018 CB VAL C 25 -11.004 5.688 -8.401 1.00 0.00 C ATOM 2019 CG1 VAL C 25 -10.093 6.790 -7.860 1.00 0.00 C ATOM 2020 CG2 VAL C 25 -11.482 6.111 -9.795 1.00 0.00 C ATOM 0 H VAL C 25 -8.941 5.328 -9.694 1.00 0.00 H new ATOM 0 HA VAL C 25 -10.063 4.010 -7.413 1.00 0.00 H new ATOM 0 HB VAL C 25 -11.867 5.554 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -10.634 7.736 -7.849 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -9.780 6.539 -6.847 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -9.214 6.882 -8.499 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -11.994 7.071 -9.728 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -10.624 6.203 -10.461 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -12.168 5.360 -10.188 1.00 0.00 H new ATOM 2030 N SER C 26 -12.122 2.766 -8.341 1.00 0.00 N ATOM 2031 CA SER C 26 -13.133 1.848 -8.843 1.00 0.00 C ATOM 2032 C SER C 26 -14.382 1.941 -7.968 1.00 0.00 C ATOM 2033 O SER C 26 -14.808 0.961 -7.357 1.00 0.00 O ATOM 2034 CB SER C 26 -12.568 0.425 -8.909 1.00 0.00 C ATOM 2035 OG SER C 26 -11.945 0.070 -7.694 1.00 0.00 O ATOM 0 H SER C 26 -12.220 2.974 -7.347 1.00 0.00 H new ATOM 0 HA SER C 26 -13.419 2.123 -9.858 1.00 0.00 H new ATOM 0 HB2 SER C 26 -13.371 -0.279 -9.129 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.849 0.353 -9.725 1.00 0.00 H new ATOM 0 HG SER C 26 -11.594 -0.843 -7.761 1.00 0.00 H new ATOM 2041 N GLY C 27 -14.980 3.134 -7.900 1.00 0.00 N ATOM 2042 CA GLY C 27 -16.138 3.359 -7.049 1.00 0.00 C ATOM 2043 C GLY C 27 -15.689 3.506 -5.601 1.00 0.00 C ATOM 2044 O GLY C 27 -14.699 4.179 -5.323 1.00 0.00 O ATOM 0 H GLY C 27 -14.677 3.954 -8.426 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -16.668 4.256 -7.369 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -16.836 2.527 -7.141 1.00 0.00 H new ATOM 2048 N GLN C 28 -16.415 2.875 -4.673 1.00 0.00 N ATOM 2049 CA GLN C 28 -16.011 2.854 -3.273 1.00 0.00 C ATOM 2050 C GLN C 28 -14.764 1.977 -3.108 1.00 0.00 C ATOM 2051 O GLN C 28 -14.182 1.915 -2.023 1.00 0.00 O ATOM 2052 CB GLN C 28 -17.185 2.339 -2.434 1.00 0.00 C ATOM 2053 CG GLN C 28 -16.941 2.545 -0.935 1.00 0.00 C ATOM 2054 CD GLN C 28 -18.148 2.118 -0.104 1.00 0.00 C ATOM 2055 OE1 GLN C 28 -18.779 1.101 -0.381 1.00 0.00 O ATOM 2056 NE2 GLN C 28 -18.482 2.896 0.925 1.00 0.00 N ATOM 0 H GLN C 28 -17.282 2.375 -4.870 1.00 0.00 H new ATOM 0 HA GLN C 28 -15.753 3.856 -2.930 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -18.098 2.856 -2.729 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -17.340 1.279 -2.636 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -16.066 1.973 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -16.720 3.595 -0.743 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -17.937 3.734 1.129 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -19.282 2.653 1.509 1.00 0.00 H new ATOM 2065 N GLN C 29 -14.358 1.294 -4.185 1.00 0.00 N ATOM 2066 CA GLN C 29 -13.203 0.414 -4.178 1.00 0.00 C ATOM 2067 C GLN C 29 -11.992 1.097 -4.808 1.00 0.00 C ATOM 2068 O GLN C 29 -12.099 2.167 -5.410 1.00 0.00 O ATOM 2069 CB GLN C 29 -13.513 -0.884 -4.920 1.00 0.00 C ATOM 2070 CG GLN C 29 -14.795 -1.545 -4.412 1.00 0.00 C ATOM 2071 CD GLN C 29 -14.934 -2.932 -5.012 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -14.741 -3.941 -4.339 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -15.270 -2.979 -6.296 1.00 0.00 N ATOM 0 H GLN C 29 -14.831 1.343 -5.088 1.00 0.00 H new ATOM 0 HA GLN C 29 -12.967 0.180 -3.140 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -13.610 -0.677 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -12.679 -1.576 -4.804 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -14.774 -1.610 -3.324 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -15.659 -0.936 -4.678 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -15.420 -2.114 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -15.378 -3.880 -6.762 1.00 0.00 H new ATOM 2082 N VAL C 30 -10.831 0.460 -4.662 1.00 0.00 N ATOM 2083 CA VAL C 30 -9.561 0.971 -5.159 1.00 0.00 C ATOM 2084 C VAL C 30 -8.692 -0.181 -5.651 1.00 0.00 C ATOM 2085 O VAL C 30 -8.695 -1.264 -5.063 1.00 0.00 O ATOM 2086 CB VAL C 30 -8.840 1.718 -4.032 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -7.475 2.192 -4.521 1.00 0.00 C ATOM 2088 CG2 VAL C 30 -9.637 2.941 -3.575 1.00 0.00 C ATOM 0 H VAL C 30 -10.749 -0.439 -4.187 1.00 0.00 H new ATOM 0 HA VAL C 30 -9.747 1.653 -5.989 1.00 0.00 H new ATOM 0 HB VAL C 30 -8.733 1.029 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -6.965 2.723 -3.717 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -6.878 1.332 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -7.605 2.861 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -9.098 3.448 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -9.768 3.624 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -10.614 2.623 -3.210 1.00 0.00 H new ATOM 2098 N ARG C 31 -7.945 0.060 -6.734 1.00 0.00 N ATOM 2099 CA ARG C 31 -7.013 -0.901 -7.312 1.00 0.00 C ATOM 2100 C ARG C 31 -5.592 -0.399 -7.070 1.00 0.00 C ATOM 2101 O ARG C 31 -5.240 0.700 -7.500 1.00 0.00 O ATOM 2102 CB ARG C 31 -7.285 -1.039 -8.815 1.00 0.00 C ATOM 2103 CG ARG C 31 -7.823 -2.417 -9.207 1.00 0.00 C ATOM 2104 CD ARG C 31 -6.761 -3.511 -9.060 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.204 -4.758 -9.696 1.00 0.00 N ATOM 2106 CZ ARG C 31 -7.104 -4.990 -11.007 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -6.544 -4.094 -11.815 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -7.570 -6.122 -11.524 1.00 0.00 N ATOM 0 H ARG C 31 -7.975 0.946 -7.239 1.00 0.00 H new ATOM 0 HA ARG C 31 -7.138 -1.880 -6.849 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -8.002 -0.276 -9.119 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.363 -0.847 -9.364 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.683 -2.661 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -8.174 -2.389 -10.238 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.826 -3.179 -9.512 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -6.559 -3.688 -8.004 1.00 0.00 H new ATOM 0 HE ARG C 31 -7.609 -5.485 -9.106 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -6.185 -3.218 -11.435 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -6.473 -4.283 -12.815 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -8.006 -6.818 -10.919 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -7.492 -6.295 -12.526 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.786 -1.214 -6.387 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.410 -0.890 -6.039 1.00 0.00 C ATOM 2124 C ILE C 32 -2.484 -2.060 -6.343 1.00 0.00 C ATOM 2125 O ILE C 32 -2.928 -3.202 -6.463 1.00 0.00 O ATOM 2126 CB ILE C 32 -3.302 -0.524 -4.551 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -4.006 -1.576 -3.686 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -3.884 0.866 -4.311 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -3.868 -1.251 -2.197 1.00 0.00 C ATOM 0 H ILE C 32 -5.081 -2.133 -6.056 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.107 -0.034 -6.642 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.250 -0.508 -4.266 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -5.061 -1.624 -3.954 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -3.581 -2.559 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -3.803 1.117 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.332 1.598 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -4.933 0.877 -4.607 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -4.377 -2.015 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -2.813 -1.228 -1.926 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -4.316 -0.278 -1.994 1.00 0.00 H new ATOM 2141 N GLY C 33 -1.190 -1.764 -6.469 1.00 0.00 N ATOM 2142 CA GLY C 33 -0.170 -2.764 -6.724 1.00 0.00 C ATOM 2143 C GLY C 33 1.010 -2.580 -5.775 1.00 0.00 C ATOM 2144 O GLY C 33 1.134 -1.542 -5.124 1.00 0.00 O ATOM 0 H GLY C 33 -0.824 -0.815 -6.395 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -0.592 -3.761 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY C 33 0.171 -2.688 -7.756 1.00 0.00 H new ATOM 2148 N ILE C 34 1.871 -3.594 -5.701 1.00 0.00 N ATOM 2149 CA ILE C 34 3.000 -3.613 -4.784 1.00 0.00 C ATOM 2150 C ILE C 34 4.223 -4.111 -5.550 1.00 0.00 C ATOM 2151 O ILE C 34 4.121 -5.008 -6.387 1.00 0.00 O ATOM 2152 CB ILE C 34 2.702 -4.538 -3.587 1.00 0.00 C ATOM 2153 CG1 ILE C 34 1.553 -4.033 -2.706 1.00 0.00 C ATOM 2154 CG2 ILE C 34 3.949 -4.640 -2.699 1.00 0.00 C ATOM 2155 CD1 ILE C 34 0.185 -4.544 -3.172 1.00 0.00 C ATOM 0 H ILE C 34 1.801 -4.430 -6.282 1.00 0.00 H new ATOM 0 HA ILE C 34 3.184 -2.612 -4.394 1.00 0.00 H new ATOM 0 HB ILE C 34 2.415 -5.502 -4.008 1.00 0.00 H new ATOM 0 HG12 ILE C 34 1.723 -4.349 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE C 34 1.550 -2.943 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE C 34 3.740 -5.294 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE C 34 4.776 -5.050 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE C 34 4.218 -3.649 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -0.592 -4.156 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.002 -4.206 -4.191 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.175 -5.634 -3.143 1.00 0.00 H new ATOM 2167 N ASN C 35 5.382 -3.523 -5.252 1.00 0.00 N ATOM 2168 CA ASN C 35 6.633 -3.817 -5.925 1.00 0.00 C ATOM 2169 C ASN C 35 7.694 -4.127 -4.873 1.00 0.00 C ATOM 2170 O ASN C 35 8.581 -3.319 -4.602 1.00 0.00 O ATOM 2171 CB ASN C 35 7.049 -2.631 -6.802 1.00 0.00 C ATOM 2172 CG ASN C 35 5.971 -2.238 -7.802 1.00 0.00 C ATOM 2173 OD1 ASN C 35 5.952 -2.735 -8.924 1.00 0.00 O ATOM 2174 ND2 ASN C 35 5.075 -1.341 -7.400 1.00 0.00 N ATOM 0 H ASN C 35 5.472 -2.817 -4.521 1.00 0.00 H new ATOM 0 HA ASN C 35 6.516 -4.683 -6.576 1.00 0.00 H new ATOM 0 HB2 ASN C 35 7.279 -1.776 -6.166 1.00 0.00 H new ATOM 0 HB3 ASN C 35 7.963 -2.884 -7.339 1.00 0.00 H new ATOM 0 HD21 ASN C 35 4.334 -1.041 -8.034 1.00 0.00 H new ATOM 0 HD22 ASN C 35 5.128 -0.954 -6.458 1.00 0.00 H new ATOM 2181 N ALA C 36 7.584 -5.320 -4.286 1.00 0.00 N ATOM 2182 CA ALA C 36 8.522 -5.824 -3.298 1.00 0.00 C ATOM 2183 C ALA C 36 9.024 -7.176 -3.788 1.00 0.00 C ATOM 2184 O ALA C 36 8.360 -7.818 -4.601 1.00 0.00 O ATOM 2185 CB ALA C 36 7.801 -5.961 -1.955 1.00 0.00 C ATOM 0 H ALA C 36 6.825 -5.970 -4.492 1.00 0.00 H new ATOM 0 HA ALA C 36 9.367 -5.148 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA C 36 8.496 -6.339 -1.206 1.00 0.00 H new ATOM 0 HB2 ALA C 36 7.425 -4.987 -1.643 1.00 0.00 H new ATOM 0 HB3 ALA C 36 6.967 -6.655 -2.059 1.00 0.00 H new ATOM 2191 N PRO C 37 10.186 -7.628 -3.306 1.00 0.00 N ATOM 2192 CA PRO C 37 10.757 -8.877 -3.746 1.00 0.00 C ATOM 2193 C PRO C 37 9.888 -10.014 -3.230 1.00 0.00 C ATOM 2194 O PRO C 37 9.287 -9.910 -2.165 1.00 0.00 O ATOM 2195 CB PRO C 37 12.168 -8.906 -3.157 1.00 0.00 C ATOM 2196 CG PRO C 37 12.047 -8.034 -1.907 1.00 0.00 C ATOM 2197 CD PRO C 37 11.025 -6.980 -2.321 1.00 0.00 C ATOM 0 HA PRO C 37 10.804 -8.982 -4.830 1.00 0.00 H new ATOM 0 HB2 PRO C 37 12.480 -9.921 -2.910 1.00 0.00 H new ATOM 0 HB3 PRO C 37 12.904 -8.507 -3.856 1.00 0.00 H new ATOM 0 HG2 PRO C 37 11.707 -8.609 -1.045 1.00 0.00 H new ATOM 0 HG3 PRO C 37 13.002 -7.585 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO C 37 10.439 -6.643 -1.466 1.00 0.00 H new ATOM 0 HD3 PRO C 37 11.514 -6.100 -2.739 1.00 0.00 H new ATOM 2205 N LYS C 38 9.822 -11.108 -3.988 1.00 0.00 N ATOM 2206 CA LYS C 38 9.032 -12.263 -3.589 1.00 0.00 C ATOM 2207 C LYS C 38 9.665 -12.939 -2.371 1.00 0.00 C ATOM 2208 O LYS C 38 9.132 -13.918 -1.854 1.00 0.00 O ATOM 2209 CB LYS C 38 8.872 -13.202 -4.788 1.00 0.00 C ATOM 2210 CG LYS C 38 8.295 -12.390 -5.952 1.00 0.00 C ATOM 2211 CD LYS C 38 7.957 -13.264 -7.154 1.00 0.00 C ATOM 2212 CE LYS C 38 7.528 -12.353 -8.308 1.00 0.00 C ATOM 2213 NZ LYS C 38 7.126 -13.136 -9.494 1.00 0.00 N ATOM 0 H LYS C 38 10.306 -11.215 -4.879 1.00 0.00 H new ATOM 0 HA LYS C 38 8.032 -11.956 -3.282 1.00 0.00 H new ATOM 0 HB2 LYS C 38 9.834 -13.634 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS C 38 8.210 -14.031 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS C 38 7.397 -11.870 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS C 38 9.013 -11.626 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS C 38 8.821 -13.862 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS C 38 7.157 -13.961 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS C 38 6.698 -11.724 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS C 38 8.349 -11.687 -8.572 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 6.841 -12.489 -10.257 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 7.927 -13.717 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 6.326 -13.754 -9.248 1.00 0.00 H new ATOM 2227 N ASP C 39 10.805 -12.406 -1.921 1.00 0.00 N ATOM 2228 CA ASP C 39 11.483 -12.832 -0.710 1.00 0.00 C ATOM 2229 C ASP C 39 10.812 -12.252 0.541 1.00 0.00 C ATOM 2230 O ASP C 39 11.113 -12.703 1.648 1.00 0.00 O ATOM 2231 CB ASP C 39 12.943 -12.383 -0.766 1.00 0.00 C ATOM 2232 CG ASP C 39 13.674 -13.029 -1.941 1.00 0.00 C ATOM 2233 OD1 ASP C 39 14.088 -14.199 -1.787 1.00 0.00 O ATOM 2234 OD2 ASP C 39 13.813 -12.346 -2.981 1.00 0.00 O ATOM 0 H ASP C 39 11.287 -11.649 -2.406 1.00 0.00 H new ATOM 0 HA ASP C 39 11.426 -13.919 -0.648 1.00 0.00 H new ATOM 0 HB2 ASP C 39 12.989 -11.298 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP C 39 13.443 -12.646 0.166 1.00 0.00 H new ATOM 2239 N VAL C 40 9.913 -11.269 0.395 1.00 0.00 N ATOM 2240 CA VAL C 40 9.139 -10.762 1.526 1.00 0.00 C ATOM 2241 C VAL C 40 7.648 -10.955 1.283 1.00 0.00 C ATOM 2242 O VAL C 40 7.164 -10.851 0.154 1.00 0.00 O ATOM 2243 CB VAL C 40 9.462 -9.296 1.833 1.00 0.00 C ATOM 2244 CG1 VAL C 40 10.956 -9.106 2.106 1.00 0.00 C ATOM 2245 CG2 VAL C 40 9.033 -8.362 0.708 1.00 0.00 C ATOM 0 H VAL C 40 9.707 -10.813 -0.494 1.00 0.00 H new ATOM 0 HA VAL C 40 9.425 -11.341 2.404 1.00 0.00 H new ATOM 0 HB VAL C 40 8.893 -9.038 2.726 1.00 0.00 H new ATOM 0 HG11 VAL C 40 11.156 -8.056 2.321 1.00 0.00 H new ATOM 0 HG12 VAL C 40 11.250 -9.714 2.962 1.00 0.00 H new ATOM 0 HG13 VAL C 40 11.528 -9.412 1.230 1.00 0.00 H new ATOM 0 HG21 VAL C 40 9.283 -7.335 0.973 1.00 0.00 H new ATOM 0 HG22 VAL C 40 9.552 -8.637 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL C 40 7.957 -8.446 0.556 1.00 0.00 H new ATOM 2255 N ALA C 41 6.923 -11.243 2.361 1.00 0.00 N ATOM 2256 CA ALA C 41 5.498 -11.525 2.318 1.00 0.00 C ATOM 2257 C ALA C 41 4.700 -10.271 1.985 1.00 0.00 C ATOM 2258 O ALA C 41 5.048 -9.173 2.416 1.00 0.00 O ATOM 2259 CB ALA C 41 5.065 -12.073 3.675 1.00 0.00 C ATOM 0 H ALA C 41 7.318 -11.287 3.300 1.00 0.00 H new ATOM 0 HA ALA C 41 5.305 -12.260 1.536 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.997 -12.289 3.656 1.00 0.00 H new ATOM 0 HB2 ALA C 41 5.616 -12.988 3.891 1.00 0.00 H new ATOM 0 HB3 ALA C 41 5.272 -11.334 4.449 1.00 0.00 H new ATOM 2265 N VAL C 42 3.626 -10.442 1.212 1.00 0.00 N ATOM 2266 CA VAL C 42 2.705 -9.381 0.843 1.00 0.00 C ATOM 2267 C VAL C 42 1.316 -9.991 0.706 1.00 0.00 C ATOM 2268 O VAL C 42 1.083 -10.784 -0.205 1.00 0.00 O ATOM 2269 CB VAL C 42 3.126 -8.748 -0.489 1.00 0.00 C ATOM 2270 CG1 VAL C 42 2.149 -7.645 -0.874 1.00 0.00 C ATOM 2271 CG2 VAL C 42 4.518 -8.124 -0.425 1.00 0.00 C ATOM 0 H VAL C 42 3.372 -11.348 0.818 1.00 0.00 H new ATOM 0 HA VAL C 42 2.709 -8.603 1.606 1.00 0.00 H new ATOM 0 HB VAL C 42 3.131 -9.553 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL C 42 2.456 -7.201 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL C 42 1.148 -8.065 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL C 42 2.142 -6.878 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL C 42 4.767 -7.690 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL C 42 4.533 -7.344 0.336 1.00 0.00 H new ATOM 0 HG23 VAL C 42 5.250 -8.892 -0.172 1.00 0.00 H new ATOM 2281 N HIS C 43 0.400 -9.619 1.610 1.00 0.00 N ATOM 2282 CA HIS C 43 -0.968 -10.127 1.630 1.00 0.00 C ATOM 2283 C HIS C 43 -1.929 -9.073 2.176 1.00 0.00 C ATOM 2284 O HIS C 43 -1.511 -8.080 2.767 1.00 0.00 O ATOM 2285 CB HIS C 43 -1.087 -11.370 2.527 1.00 0.00 C ATOM 2286 CG HIS C 43 -0.100 -12.478 2.266 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -0.381 -13.655 1.577 1.00 0.00 N ATOM 2288 CD2 HIS C 43 1.204 -12.496 2.671 1.00 0.00 C ATOM 2289 CE1 HIS C 43 0.762 -14.358 1.585 1.00 0.00 C ATOM 2290 NE2 HIS C 43 1.731 -13.686 2.231 1.00 0.00 N ATOM 0 H HIS C 43 0.595 -8.949 2.354 1.00 0.00 H new ATOM 0 HA HIS C 43 -1.224 -10.382 0.602 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -0.981 -11.054 3.565 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -2.093 -11.775 2.419 1.00 0.00 H new ATOM 0 HD2 HIS C 43 1.719 -11.727 3.227 1.00 0.00 H new ATOM 0 HE1 HIS C 43 0.887 -15.331 1.134 1.00 0.00 H new ATOM 0 HE2 HIS C 43 2.690 -14.004 2.370 1.00 0.00 H new ATOM 2298 N ARG C 44 -3.228 -9.296 1.975 1.00 0.00 N ATOM 2299 CA ARG C 44 -4.293 -8.488 2.559 1.00 0.00 C ATOM 2300 C ARG C 44 -4.343 -8.711 4.071 1.00 0.00 C ATOM 2301 O ARG C 44 -3.982 -9.785 4.546 1.00 0.00 O ATOM 2302 CB ARG C 44 -5.614 -8.909 1.904 1.00 0.00 C ATOM 2303 CG ARG C 44 -5.907 -10.375 2.231 1.00 0.00 C ATOM 2304 CD ARG C 44 -6.729 -11.074 1.148 1.00 0.00 C ATOM 2305 NE ARG C 44 -8.154 -10.754 1.230 1.00 0.00 N ATOM 2306 CZ ARG C 44 -8.996 -10.853 0.198 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -8.565 -11.279 -0.987 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -10.276 -10.528 0.340 1.00 0.00 N ATOM 0 H ARG C 44 -3.573 -10.058 1.391 1.00 0.00 H new ATOM 0 HA ARG C 44 -4.114 -7.427 2.383 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -6.427 -8.277 2.262 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -5.556 -8.772 0.824 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -4.965 -10.907 2.365 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -6.442 -10.430 3.179 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -6.351 -10.785 0.167 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -6.597 -12.152 1.236 1.00 0.00 H new ATOM 0 HE ARG C 44 -8.525 -10.437 2.126 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -7.585 -11.533 -1.112 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -9.215 -11.352 -1.770 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -10.622 -10.200 1.242 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -10.913 -10.606 -0.453 1.00 0.00 H new ATOM 2322 N GLU C 45 -4.786 -7.718 4.845 1.00 0.00 N ATOM 2323 CA GLU C 45 -4.905 -7.869 6.293 1.00 0.00 C ATOM 2324 C GLU C 45 -5.971 -8.894 6.649 1.00 0.00 C ATOM 2325 O GLU C 45 -5.881 -9.560 7.677 1.00 0.00 O ATOM 2326 CB GLU C 45 -5.316 -6.533 6.894 1.00 0.00 C ATOM 2327 CG GLU C 45 -4.120 -5.592 6.953 1.00 0.00 C ATOM 2328 CD GLU C 45 -3.321 -5.813 8.236 1.00 0.00 C ATOM 2329 OE1 GLU C 45 -2.517 -6.768 8.262 1.00 0.00 O ATOM 2330 OE2 GLU C 45 -3.520 -5.022 9.184 1.00 0.00 O ATOM 0 H GLU C 45 -5.067 -6.803 4.492 1.00 0.00 H new ATOM 0 HA GLU C 45 -3.944 -8.201 6.685 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -6.110 -6.086 6.296 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -5.718 -6.685 7.896 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -3.479 -5.756 6.087 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -4.462 -4.558 6.905 1.00 0.00 H new ATOM 2337 N GLU C 46 -6.981 -9.007 5.788 1.00 0.00 N ATOM 2338 CA GLU C 46 -8.082 -9.945 5.949 1.00 0.00 C ATOM 2339 C GLU C 46 -7.605 -11.406 5.933 1.00 0.00 C ATOM 2340 O GLU C 46 -8.377 -12.309 6.243 1.00 0.00 O ATOM 2341 CB GLU C 46 -9.104 -9.672 4.843 1.00 0.00 C ATOM 2342 CG GLU C 46 -10.409 -10.443 5.042 1.00 0.00 C ATOM 2343 CD GLU C 46 -11.463 -10.005 4.027 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -11.088 -9.815 2.848 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -12.637 -9.863 4.434 1.00 0.00 O ATOM 0 H GLU C 46 -7.055 -8.437 4.945 1.00 0.00 H new ATOM 0 HA GLU C 46 -8.544 -9.797 6.925 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -9.319 -8.604 4.809 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -8.671 -9.941 3.880 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -10.223 -11.512 4.940 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -10.782 -10.279 6.053 1.00 0.00 H new ATOM 2352 N ILE C 47 -6.336 -11.650 5.576 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.787 -12.997 5.507 1.00 0.00 C ATOM 2354 C ILE C 47 -4.397 -13.069 6.134 1.00 0.00 C ATOM 2355 O ILE C 47 -3.984 -14.140 6.571 1.00 0.00 O ATOM 2356 CB ILE C 47 -5.780 -13.450 4.035 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -7.179 -13.952 3.656 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -4.740 -14.527 3.740 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.160 -14.730 2.339 1.00 0.00 C ATOM 0 H ILE C 47 -5.670 -10.918 5.329 1.00 0.00 H new ATOM 0 HA ILE C 47 -6.413 -13.676 6.086 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.505 -12.585 3.432 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -7.565 -14.590 4.451 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.859 -13.105 3.569 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -4.788 -14.801 2.686 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -3.745 -14.145 3.970 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -4.942 -15.406 4.353 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -8.168 -15.070 2.103 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -6.798 -14.083 1.540 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.500 -15.592 2.435 1.00 0.00 H new ATOM 2371 N TYR C 48 -3.651 -11.964 6.202 1.00 0.00 N ATOM 2372 CA TYR C 48 -2.306 -12.027 6.744 1.00 0.00 C ATOM 2373 C TYR C 48 -2.350 -12.440 8.208 1.00 0.00 C ATOM 2374 O TYR C 48 -1.463 -13.139 8.696 1.00 0.00 O ATOM 2375 CB TYR C 48 -1.619 -10.670 6.607 1.00 0.00 C ATOM 2376 CG TYR C 48 -0.221 -10.718 7.165 1.00 0.00 C ATOM 2377 CD1 TYR C 48 0.843 -11.115 6.346 1.00 0.00 C ATOM 2378 CD2 TYR C 48 0.006 -10.374 8.503 1.00 0.00 C ATOM 2379 CE1 TYR C 48 2.142 -11.187 6.867 1.00 0.00 C ATOM 2380 CE2 TYR C 48 1.300 -10.447 9.035 1.00 0.00 C ATOM 2381 CZ TYR C 48 2.379 -10.842 8.215 1.00 0.00 C ATOM 2382 OH TYR C 48 3.639 -10.892 8.728 1.00 0.00 O ATOM 0 H TYR C 48 -3.952 -11.039 5.895 1.00 0.00 H new ATOM 0 HA TYR C 48 -1.738 -12.769 6.183 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -1.586 -10.379 5.557 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -2.198 -9.910 7.131 1.00 0.00 H new ATOM 0 HD1 TYR C 48 0.662 -11.366 5.311 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.816 -10.052 9.125 1.00 0.00 H new ATOM 0 HE1 TYR C 48 2.960 -11.506 6.238 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.472 -10.201 10.072 1.00 0.00 H new ATOM 0 HH TYR C 48 4.253 -10.410 8.135 1.00 0.00 H new ATOM 2392 N GLN C 49 -3.395 -12.003 8.911 1.00 0.00 N ATOM 2393 CA GLN C 49 -3.559 -12.285 10.323 1.00 0.00 C ATOM 2394 C GLN C 49 -3.943 -13.745 10.544 1.00 0.00 C ATOM 2395 O GLN C 49 -3.876 -14.241 11.669 1.00 0.00 O ATOM 2396 CB GLN C 49 -4.622 -11.341 10.880 1.00 0.00 C ATOM 2397 CG GLN C 49 -4.199 -9.899 10.596 1.00 0.00 C ATOM 2398 CD GLN C 49 -5.195 -8.900 11.168 1.00 0.00 C ATOM 2399 OE1 GLN C 49 -5.134 -8.547 12.343 1.00 0.00 O ATOM 2400 NE2 GLN C 49 -6.127 -8.440 10.338 1.00 0.00 N ATOM 0 H GLN C 49 -4.148 -11.444 8.510 1.00 0.00 H new ATOM 0 HA GLN C 49 -2.617 -12.122 10.847 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -5.589 -11.548 10.421 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -4.739 -11.496 11.953 1.00 0.00 H new ATOM 0 HG2 GLN C 49 -3.213 -9.717 11.025 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -4.111 -9.750 9.520 1.00 0.00 H new ATOM 0 HE21 GLN C 49 -6.147 -8.756 9.368 1.00 0.00 H new ATOM 0 HE22 GLN C 49 -6.822 -7.772 10.671 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.348 -14.440 9.476 1.00 0.00 N ATOM 2410 CA ARG C 50 -4.671 -15.859 9.539 1.00 0.00 C ATOM 2411 C ARG C 50 -3.449 -16.694 9.161 1.00 0.00 C ATOM 2412 O ARG C 50 -3.303 -17.815 9.638 1.00 0.00 O ATOM 2413 CB ARG C 50 -5.898 -16.153 8.660 1.00 0.00 C ATOM 2414 CG ARG C 50 -5.563 -16.827 7.326 1.00 0.00 C ATOM 2415 CD ARG C 50 -6.805 -16.873 6.437 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.843 -17.734 7.015 1.00 0.00 N ATOM 2417 CZ ARG C 50 -9.020 -17.974 6.430 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -9.325 -17.428 5.256 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -9.902 -18.767 7.028 1.00 0.00 N ATOM 0 H ARG C 50 -4.459 -14.031 8.548 1.00 0.00 H new ATOM 0 HA ARG C 50 -4.936 -16.138 10.559 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.585 -16.792 9.215 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -6.422 -15.218 8.461 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -4.766 -16.280 6.823 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -5.194 -17.837 7.502 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -7.198 -15.865 6.305 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -6.533 -17.241 5.448 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.655 -18.175 7.915 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -8.656 -16.816 4.789 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -10.228 -17.621 4.823 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -9.679 -19.189 7.929 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -10.802 -18.954 6.586 1.00 0.00 H new ATOM 2433 N ILE C 51 -2.568 -16.152 8.309 1.00 0.00 N ATOM 2434 CA ILE C 51 -1.303 -16.798 7.955 1.00 0.00 C ATOM 2435 C ILE C 51 -0.396 -16.808 9.177 1.00 0.00 C ATOM 2436 O ILE C 51 0.167 -17.838 9.541 1.00 0.00 O ATOM 2437 CB ILE C 51 -0.639 -16.025 6.808 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -1.496 -16.131 5.549 1.00 0.00 C ATOM 2439 CG2 ILE C 51 0.760 -16.562 6.503 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -0.991 -15.170 4.478 1.00 0.00 C ATOM 0 H ILE C 51 -2.715 -15.254 7.848 1.00 0.00 H new ATOM 0 HA ILE C 51 -1.483 -17.823 7.630 1.00 0.00 H new ATOM 0 HB ILE C 51 -0.550 -14.984 7.119 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -1.472 -17.153 5.170 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -2.535 -15.905 5.789 1.00 0.00 H new ATOM 0 HG21 ILE C 51 1.199 -15.990 5.685 1.00 0.00 H new ATOM 0 HG22 ILE C 51 1.387 -16.468 7.389 1.00 0.00 H new ATOM 0 HG23 ILE C 51 0.692 -17.611 6.216 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -1.613 -15.258 3.587 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -1.039 -14.148 4.854 1.00 0.00 H new ATOM 0 HD13 ILE C 51 0.041 -15.416 4.226 1.00 0.00 H new ATOM 2452 N GLN C 52 -0.256 -15.647 9.814 1.00 0.00 N ATOM 2453 CA GLN C 52 0.618 -15.490 10.966 1.00 0.00 C ATOM 2454 C GLN C 52 0.003 -16.108 12.221 1.00 0.00 C ATOM 2455 O GLN C 52 0.557 -15.974 13.310 1.00 0.00 O ATOM 2456 CB GLN C 52 0.955 -14.006 11.142 1.00 0.00 C ATOM 2457 CG GLN C 52 1.717 -13.510 9.911 1.00 0.00 C ATOM 2458 CD GLN C 52 2.896 -14.409 9.562 1.00 0.00 C ATOM 2459 OE1 GLN C 52 3.858 -14.521 10.315 1.00 0.00 O ATOM 2460 NE2 GLN C 52 2.815 -15.062 8.407 1.00 0.00 N ATOM 0 H GLN C 52 -0.745 -14.794 9.544 1.00 0.00 H new ATOM 0 HA GLN C 52 1.548 -16.032 10.795 1.00 0.00 H new ATOM 0 HB2 GLN C 52 0.041 -13.427 11.276 1.00 0.00 H new ATOM 0 HB3 GLN C 52 1.557 -13.862 12.039 1.00 0.00 H new ATOM 0 HG2 GLN C 52 1.037 -13.460 9.061 1.00 0.00 H new ATOM 0 HG3 GLN C 52 2.076 -12.497 10.092 1.00 0.00 H new ATOM 0 HE21 GLN C 52 1.997 -14.941 7.809 1.00 0.00 H new ATOM 0 HE22 GLN C 52 3.570 -15.684 8.119 1.00 0.00 H new ATOM 2469 N ALA C 53 -1.143 -16.782 12.079 1.00 0.00 N ATOM 2470 CA ALA C 53 -1.791 -17.432 13.203 1.00 0.00 C ATOM 2471 C ALA C 53 -1.051 -18.706 13.618 1.00 0.00 C ATOM 2472 O ALA C 53 -1.264 -19.195 14.730 1.00 0.00 O ATOM 2473 CB ALA C 53 -3.238 -17.756 12.840 1.00 0.00 C ATOM 0 H ALA C 53 -1.635 -16.887 11.192 1.00 0.00 H new ATOM 0 HA ALA C 53 -1.771 -16.749 14.052 1.00 0.00 H new ATOM 0 HB1 ALA C 53 -3.724 -18.244 13.684 1.00 0.00 H new ATOM 0 HB2 ALA C 53 -3.768 -16.834 12.599 1.00 0.00 H new ATOM 0 HB3 ALA C 53 -3.256 -18.421 11.977 1.00 0.00 H new ATOM 2479 N GLY C 54 -0.191 -19.247 12.747 1.00 0.00 N ATOM 2480 CA GLY C 54 0.562 -20.458 13.042 1.00 0.00 C ATOM 2481 C GLY C 54 0.511 -21.458 11.890 1.00 0.00 C ATOM 2482 O GLY C 54 0.814 -22.635 12.085 1.00 0.00 O ATOM 0 H GLY C 54 -0.003 -18.855 11.824 1.00 0.00 H new ATOM 0 HA2 GLY C 54 1.600 -20.198 13.251 1.00 0.00 H new ATOM 0 HA3 GLY C 54 0.163 -20.923 13.943 1.00 0.00 H new ATOM 2486 N LEU C 55 0.131 -21.000 10.695 1.00 0.00 N ATOM 2487 CA LEU C 55 -0.070 -21.852 9.532 1.00 0.00 C ATOM 2488 C LEU C 55 0.496 -21.195 8.276 1.00 0.00 C ATOM 2489 O LEU C 55 1.153 -20.157 8.362 1.00 0.00 O ATOM 2490 CB LEU C 55 -1.568 -22.158 9.412 1.00 0.00 C ATOM 2491 CG LEU C 55 -2.437 -20.897 9.307 1.00 0.00 C ATOM 2492 CD1 LEU C 55 -2.421 -20.291 7.906 1.00 0.00 C ATOM 2493 CD2 LEU C 55 -3.875 -21.277 9.641 1.00 0.00 C ATOM 0 H LEU C 55 -0.047 -20.013 10.511 1.00 0.00 H new ATOM 0 HA LEU C 55 0.469 -22.792 9.650 1.00 0.00 H new ATOM 0 HB2 LEU C 55 -1.736 -22.781 8.533 1.00 0.00 H new ATOM 0 HB3 LEU C 55 -1.884 -22.738 10.279 1.00 0.00 H new ATOM 0 HG LEU C 55 -2.034 -20.157 9.999 1.00 0.00 H new ATOM 0 HD11 LEU C 55 -3.051 -19.402 7.887 1.00 0.00 H new ATOM 0 HD12 LEU C 55 -1.400 -20.018 7.639 1.00 0.00 H new ATOM 0 HD13 LEU C 55 -2.800 -21.020 7.190 1.00 0.00 H new ATOM 0 HD21 LEU C 55 -4.510 -20.394 9.572 1.00 0.00 H new ATOM 0 HD22 LEU C 55 -4.225 -22.031 8.936 1.00 0.00 H new ATOM 0 HD23 LEU C 55 -3.920 -21.678 10.654 1.00 0.00 H new ATOM 2505 N THR C 56 0.248 -21.789 7.107 1.00 0.00 N ATOM 2506 CA THR C 56 0.723 -21.252 5.839 1.00 0.00 C ATOM 2507 C THR C 56 -0.347 -21.400 4.759 1.00 0.00 C ATOM 2508 O THR C 56 -1.365 -22.064 4.959 1.00 0.00 O ATOM 2509 CB THR C 56 2.017 -21.956 5.421 1.00 0.00 C ATOM 2510 OG1 THR C 56 1.813 -23.352 5.353 1.00 0.00 O ATOM 2511 CG2 THR C 56 3.132 -21.665 6.429 1.00 0.00 C ATOM 0 H THR C 56 -0.287 -22.653 7.017 1.00 0.00 H new ATOM 0 HA THR C 56 0.931 -20.190 5.965 1.00 0.00 H new ATOM 0 HB THR C 56 2.307 -21.580 4.440 1.00 0.00 H new ATOM 0 HG1 THR C 56 2.646 -23.792 5.083 1.00 0.00 H new ATOM 0 HG21 THR C 56 4.045 -22.172 6.118 1.00 0.00 H new ATOM 0 HG22 THR C 56 3.311 -20.591 6.474 1.00 0.00 H new ATOM 0 HG23 THR C 56 2.835 -22.024 7.414 1.00 0.00 H new ATOM 2519 N ALA C 57 -0.115 -20.764 3.605 1.00 0.00 N ATOM 2520 CA ALA C 57 -1.040 -20.751 2.487 1.00 0.00 C ATOM 2521 C ALA C 57 -1.385 -22.164 2.002 1.00 0.00 C ATOM 2522 O ALA C 57 -0.611 -23.102 2.201 1.00 0.00 O ATOM 2523 CB ALA C 57 -0.405 -19.954 1.348 1.00 0.00 C ATOM 0 H ALA C 57 0.740 -20.237 3.428 1.00 0.00 H new ATOM 0 HA ALA C 57 -1.972 -20.291 2.815 1.00 0.00 H new ATOM 0 HB1 ALA C 57 -1.085 -19.932 0.496 1.00 0.00 H new ATOM 0 HB2 ALA C 57 -0.209 -18.935 1.682 1.00 0.00 H new ATOM 0 HB3 ALA C 57 0.532 -20.426 1.052 1.00 0.00 H new