USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1024 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 MET CE :methyl 147:sc= -2.68 (180deg=-4.36!) USER MOD Set 1.2: A 52 HIS : no HE2:sc= -15.4! C(o=-18!,f=-33!) USER MOD Set 1.3: A 79 THR OG1 : rot 107:sc= 0.203 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 GLN : amide:sc= -2.21! C(o=-2.2!,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 142:sc= -0.495 (180deg=-2.15!) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0646) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2.09! C(o=-2.1!,f=-9.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -162:sc= -0.678 USER MOD Single : A 27 GLN : amide:sc= -0.0164 K(o=-0.016,f=-0.85) USER MOD Single : A 28 GLN :FLIP amide:sc= 0.998 F(o=-0.0068,f=1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 MET CE :methyl -174:sc= -1.21 (180deg=-1.26) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.3!) USER MOD Single : A 50 ASN : amide:sc= -4.97! C(o=-5!,f=-9.4!) USER MOD Single : A 53 HIS : no HE2:sc= -6.65! C(o=-6.6!,f=-9.6!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.302 USER MOD Single : A 60 ASN : amide:sc= -1.88! C(o=-1.9!,f=-2.5!) USER MOD Single : A 61 MET CE :methyl -161:sc= -1.76 (180deg=-2.96) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= -0.644 (180deg=-0.644) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.8!) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0347) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.283) USER MOD Single : A 88 THR OG1 : rot -160:sc= -0.345 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc=-0.00432 X(o=-0.0043,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -3.03! C(o=-3!,f=-4.1!) USER MOD Single : A 106 ASN : amide:sc= -0.665 K(o=-0.67,f=-3.7!) USER MOD Single : A 110 LYS NZ :NH3+ 140:sc= -1.16 (180deg=-4!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00615 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -163:sc= -0.116 (180deg=-0.741) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.450 15.108 9.442 1.00 0.00 N ATOM 2 CA MET A 1 13.311 15.625 8.392 1.00 0.00 C ATOM 3 C MET A 1 12.594 16.703 7.577 1.00 0.00 C ATOM 4 O MET A 1 12.348 17.802 8.073 1.00 0.00 O ATOM 5 CB MET A 1 13.733 14.482 7.467 1.00 0.00 C ATOM 6 CG MET A 1 14.623 13.480 8.206 1.00 0.00 C ATOM 7 SD MET A 1 15.828 12.791 7.083 1.00 0.00 S ATOM 8 CE MET A 1 16.683 14.279 6.595 1.00 0.00 C ATOM 0 H1 MET A 1 12.999 14.480 10.063 1.00 0.00 H new ATOM 0 H2 MET A 1 12.069 15.899 9.999 1.00 0.00 H new ATOM 0 H3 MET A 1 11.665 14.574 9.016 1.00 0.00 H new ATOM 0 HA MET A 1 14.190 16.071 8.856 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.848 13.974 7.083 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.268 14.884 6.607 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.128 13.973 9.037 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.013 12.683 8.631 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.749 14.071 6.498 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.292 14.626 5.639 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.531 15.050 7.350 1.00 0.00 H new ATOM 18 N SER A 2 12.277 16.351 6.340 1.00 0.00 N ATOM 19 CA SER A 2 11.592 17.274 5.450 1.00 0.00 C ATOM 20 C SER A 2 10.088 17.252 5.730 1.00 0.00 C ATOM 21 O SER A 2 9.355 18.125 5.269 1.00 0.00 O ATOM 22 CB SER A 2 11.865 16.932 3.984 1.00 0.00 C ATOM 23 OG SER A 2 12.080 18.099 3.195 1.00 0.00 O ATOM 0 H SER A 2 12.482 15.439 5.932 1.00 0.00 H new ATOM 0 HA SER A 2 11.975 18.277 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.739 16.285 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.022 16.371 3.580 1.00 0.00 H new ATOM 0 HG SER A 2 12.253 17.839 2.266 1.00 0.00 H new ATOM 29 N LEU A 3 9.673 16.243 6.483 1.00 0.00 N ATOM 30 CA LEU A 3 8.270 16.095 6.828 1.00 0.00 C ATOM 31 C LEU A 3 8.156 15.561 8.257 1.00 0.00 C ATOM 32 O LEU A 3 8.489 14.406 8.520 1.00 0.00 O ATOM 33 CB LEU A 3 7.550 15.234 5.790 1.00 0.00 C ATOM 34 CG LEU A 3 6.229 15.791 5.255 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.465 16.536 6.351 1.00 0.00 C ATOM 36 CD2 LEU A 3 6.462 16.667 4.022 1.00 0.00 C ATOM 0 H LEU A 3 10.284 15.521 6.863 1.00 0.00 H new ATOM 0 HA LEU A 3 7.768 17.062 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.223 15.078 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.357 14.255 6.230 1.00 0.00 H new ATOM 0 HG LEU A 3 5.607 14.953 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.530 16.922 5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.249 15.853 7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.071 17.365 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.507 17.050 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.111 17.502 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.934 16.074 3.238 1.00 0.00 H new ATOM 48 N ALA A 4 7.683 16.425 9.143 1.00 0.00 N ATOM 49 CA ALA A 4 7.520 16.054 10.538 1.00 0.00 C ATOM 50 C ALA A 4 6.705 14.763 10.626 1.00 0.00 C ATOM 51 O ALA A 4 6.962 13.919 11.483 1.00 0.00 O ATOM 52 CB ALA A 4 6.866 17.209 11.300 1.00 0.00 C ATOM 0 H ALA A 4 7.407 17.382 8.921 1.00 0.00 H new ATOM 0 HA ALA A 4 8.489 15.865 11.000 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.743 16.931 12.347 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.498 18.094 11.231 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.890 17.425 10.865 1.00 0.00 H new ATOM 58 N GLU A 5 5.738 14.648 9.727 1.00 0.00 N ATOM 59 CA GLU A 5 4.884 13.473 9.692 1.00 0.00 C ATOM 60 C GLU A 5 5.462 12.424 8.741 1.00 0.00 C ATOM 61 O GLU A 5 5.537 11.245 9.082 1.00 0.00 O ATOM 62 CB GLU A 5 3.455 13.845 9.294 1.00 0.00 C ATOM 63 CG GLU A 5 2.617 14.198 10.524 1.00 0.00 C ATOM 64 CD GLU A 5 1.363 14.982 10.129 1.00 0.00 C ATOM 65 OE1 GLU A 5 1.532 16.144 9.701 1.00 0.00 O ATOM 66 OE2 GLU A 5 0.265 14.401 10.262 1.00 0.00 O ATOM 0 H GLU A 5 5.527 15.350 9.017 1.00 0.00 H new ATOM 0 HA GLU A 5 4.847 13.046 10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.474 14.691 8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.994 13.013 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.330 13.286 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.215 14.788 11.218 1.00 0.00 H new ATOM 73 N LYS A 6 5.857 12.891 7.564 1.00 0.00 N ATOM 74 CA LYS A 6 6.426 12.009 6.562 1.00 0.00 C ATOM 75 C LYS A 6 5.655 10.687 6.553 1.00 0.00 C ATOM 76 O LYS A 6 6.206 9.644 6.208 1.00 0.00 O ATOM 77 CB LYS A 6 7.930 11.841 6.787 1.00 0.00 C ATOM 78 CG LYS A 6 8.208 10.852 7.921 1.00 0.00 C ATOM 79 CD LYS A 6 9.712 10.709 8.167 1.00 0.00 C ATOM 80 CE LYS A 6 10.242 9.404 7.570 1.00 0.00 C ATOM 81 NZ LYS A 6 10.529 8.423 8.641 1.00 0.00 N ATOM 0 H LYS A 6 5.793 13.870 7.284 1.00 0.00 H new ATOM 0 HA LYS A 6 6.322 12.446 5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.401 11.489 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.376 12.807 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.717 11.192 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.782 9.880 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.239 11.555 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.913 10.731 9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.510 8.991 6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.148 9.601 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.888 7.543 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.244 8.814 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.657 8.222 9.171 1.00 0.00 H new ATOM 95 N ILE A 7 4.390 10.776 6.939 1.00 0.00 N ATOM 96 CA ILE A 7 3.537 9.599 6.981 1.00 0.00 C ATOM 97 C ILE A 7 2.308 9.835 6.101 1.00 0.00 C ATOM 98 O ILE A 7 1.302 10.371 6.565 1.00 0.00 O ATOM 99 CB ILE A 7 3.198 9.235 8.427 1.00 0.00 C ATOM 100 CG1 ILE A 7 2.268 8.021 8.484 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.616 10.437 9.174 1.00 0.00 C ATOM 102 CD1 ILE A 7 3.064 6.717 8.403 1.00 0.00 C ATOM 0 H ILE A 7 3.936 11.643 7.225 1.00 0.00 H new ATOM 0 HA ILE A 7 4.060 8.734 6.574 1.00 0.00 H new ATOM 0 HB ILE A 7 4.122 8.957 8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.692 8.043 9.409 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.553 8.067 7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.384 10.150 10.200 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.343 11.249 9.180 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.706 10.769 8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.380 5.870 8.446 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.620 6.688 7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.760 6.663 9.240 1.00 0.00 H new ATOM 114 N LYS A 8 2.429 9.424 4.847 1.00 0.00 N ATOM 115 CA LYS A 8 1.340 9.585 3.899 1.00 0.00 C ATOM 116 C LYS A 8 0.947 8.214 3.344 1.00 0.00 C ATOM 117 O LYS A 8 1.811 7.386 3.059 1.00 0.00 O ATOM 118 CB LYS A 8 1.715 10.601 2.819 1.00 0.00 C ATOM 119 CG LYS A 8 0.751 11.790 2.826 1.00 0.00 C ATOM 120 CD LYS A 8 1.450 13.065 2.351 1.00 0.00 C ATOM 121 CE LYS A 8 0.505 13.926 1.509 1.00 0.00 C ATOM 122 NZ LYS A 8 0.770 15.364 1.741 1.00 0.00 N ATOM 0 H LYS A 8 3.264 8.980 4.466 1.00 0.00 H new ATOM 0 HA LYS A 8 0.460 9.993 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.733 10.953 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.698 10.120 1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.101 11.576 2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.359 11.939 3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.798 13.636 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.331 12.804 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.634 13.692 0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.530 13.695 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.121 15.934 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.624 15.586 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.752 15.583 1.477 1.00 0.00 H new ATOM 136 N VAL A 9 -0.356 8.017 3.206 1.00 0.00 N ATOM 137 CA VAL A 9 -0.873 6.762 2.690 1.00 0.00 C ATOM 138 C VAL A 9 -1.244 6.935 1.216 1.00 0.00 C ATOM 139 O VAL A 9 -1.983 7.852 0.862 1.00 0.00 O ATOM 140 CB VAL A 9 -2.046 6.286 3.549 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.414 4.837 3.222 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.737 6.451 5.039 1.00 0.00 C ATOM 0 H VAL A 9 -1.069 8.707 3.443 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.111 5.985 2.744 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.908 6.911 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.251 4.524 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.697 4.762 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.557 4.192 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.587 6.105 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.855 5.863 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.548 7.502 5.257 1.00 0.00 H new ATOM 152 N LEU A 10 -0.712 6.039 0.396 1.00 0.00 N ATOM 153 CA LEU A 10 -0.978 6.081 -1.032 1.00 0.00 C ATOM 154 C LEU A 10 -1.893 4.915 -1.411 1.00 0.00 C ATOM 155 O LEU A 10 -1.520 3.754 -1.260 1.00 0.00 O ATOM 156 CB LEU A 10 0.334 6.115 -1.820 1.00 0.00 C ATOM 157 CG LEU A 10 0.281 5.531 -3.233 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.860 4.116 -3.264 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.141 5.581 -3.795 1.00 0.00 C ATOM 0 H LEU A 10 -0.099 5.280 0.694 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.505 6.998 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.667 7.150 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.090 5.573 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 10 0.904 6.148 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.810 3.725 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.899 4.141 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.284 3.473 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.150 5.160 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.806 5.003 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.481 6.616 -3.832 1.00 0.00 H new ATOM 171 N ILE A 11 -3.075 5.266 -1.895 1.00 0.00 N ATOM 172 CA ILE A 11 -4.048 4.265 -2.297 1.00 0.00 C ATOM 173 C ILE A 11 -4.649 4.656 -3.648 1.00 0.00 C ATOM 174 O ILE A 11 -5.414 5.614 -3.736 1.00 0.00 O ATOM 175 CB ILE A 11 -5.090 4.057 -1.197 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.104 5.202 -1.180 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.419 3.867 0.165 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.288 4.898 -2.102 1.00 0.00 C ATOM 0 H ILE A 11 -3.381 6.231 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.564 3.298 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.640 3.142 -1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.462 5.361 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.620 6.126 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.182 3.721 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.768 2.994 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.828 4.751 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.995 5.727 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.929 4.763 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.784 3.986 -1.769 1.00 0.00 H new ATOM 190 N VAL A 12 -4.280 3.894 -4.668 1.00 0.00 N ATOM 191 CA VAL A 12 -4.773 4.149 -6.010 1.00 0.00 C ATOM 192 C VAL A 12 -5.251 2.836 -6.631 1.00 0.00 C ATOM 193 O VAL A 12 -4.536 1.835 -6.606 1.00 0.00 O ATOM 194 CB VAL A 12 -3.694 4.845 -6.841 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.446 3.969 -6.963 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.230 5.234 -8.221 1.00 0.00 C ATOM 0 H VAL A 12 -3.645 3.100 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.628 4.825 -5.980 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.410 5.761 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.694 4.487 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.045 3.766 -5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.708 3.028 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.443 5.727 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.555 4.339 -8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.074 5.914 -8.105 1.00 0.00 H new ATOM 206 N ASP A 13 -6.460 2.879 -7.174 1.00 0.00 N ATOM 207 CA ASP A 13 -7.042 1.705 -7.800 1.00 0.00 C ATOM 208 C ASP A 13 -7.768 2.123 -9.082 1.00 0.00 C ATOM 209 O ASP A 13 -8.353 3.202 -9.143 1.00 0.00 O ATOM 210 CB ASP A 13 -8.061 1.036 -6.876 1.00 0.00 C ATOM 211 CG ASP A 13 -7.500 0.551 -5.539 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.100 1.425 -4.740 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.484 -0.684 -5.345 1.00 0.00 O ATOM 0 H ASP A 13 -7.052 3.710 -7.193 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.236 1.003 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.869 1.741 -6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.500 0.186 -7.399 1.00 0.00 H new ATOM 218 N ASP A 14 -7.705 1.245 -10.072 1.00 0.00 N ATOM 219 CA ASP A 14 -8.348 1.509 -11.348 1.00 0.00 C ATOM 220 C ASP A 14 -9.834 1.792 -11.115 1.00 0.00 C ATOM 221 O ASP A 14 -10.375 2.762 -11.645 1.00 0.00 O ATOM 222 CB ASP A 14 -8.239 0.301 -12.280 1.00 0.00 C ATOM 223 CG ASP A 14 -8.150 0.641 -13.770 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.236 1.417 -14.122 1.00 0.00 O ATOM 225 OD2 ASP A 14 -8.998 0.116 -14.523 1.00 0.00 O ATOM 0 H ASP A 14 -7.219 0.350 -10.016 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.851 2.364 -11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.357 -0.276 -12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.105 -0.342 -12.120 1.00 0.00 H new ATOM 230 N GLN A 15 -10.452 0.929 -10.322 1.00 0.00 N ATOM 231 CA GLN A 15 -11.864 1.075 -10.014 1.00 0.00 C ATOM 232 C GLN A 15 -12.048 1.939 -8.764 1.00 0.00 C ATOM 233 O GLN A 15 -11.254 1.861 -7.828 1.00 0.00 O ATOM 234 CB GLN A 15 -12.531 -0.291 -9.837 1.00 0.00 C ATOM 235 CG GLN A 15 -13.776 -0.411 -10.718 1.00 0.00 C ATOM 236 CD GLN A 15 -14.808 0.660 -10.358 1.00 0.00 C ATOM 237 OE1 GLN A 15 -14.623 1.841 -10.598 1.00 0.00 O ATOM 238 NE2 GLN A 15 -15.901 0.182 -9.769 1.00 0.00 N ATOM 0 H GLN A 15 -10.001 0.126 -9.884 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.349 1.574 -10.853 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.824 -1.081 -10.091 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.806 -0.433 -8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.495 -0.312 -11.766 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.217 -1.401 -10.598 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.991 -0.819 -9.598 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.649 0.817 -9.489 1.00 0.00 H new ATOM 247 N VAL A 16 -13.099 2.745 -8.792 1.00 0.00 N ATOM 248 CA VAL A 16 -13.397 3.624 -7.673 1.00 0.00 C ATOM 249 C VAL A 16 -13.867 2.785 -6.482 1.00 0.00 C ATOM 250 O VAL A 16 -13.466 3.035 -5.346 1.00 0.00 O ATOM 251 CB VAL A 16 -14.416 4.684 -8.097 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.202 5.202 -6.891 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.734 5.833 -8.843 1.00 0.00 C ATOM 0 H VAL A 16 -13.755 2.808 -9.571 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.501 4.160 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.123 4.215 -8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.919 5.954 -7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.734 4.375 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.514 5.647 -6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.481 6.572 -9.133 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.994 6.300 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.241 5.446 -9.735 1.00 0.00 H new ATOM 263 N THR A 17 -14.710 1.809 -6.784 1.00 0.00 N ATOM 264 CA THR A 17 -15.239 0.932 -5.752 1.00 0.00 C ATOM 265 C THR A 17 -14.098 0.221 -5.021 1.00 0.00 C ATOM 266 O THR A 17 -14.178 -0.012 -3.816 1.00 0.00 O ATOM 267 CB THR A 17 -16.230 -0.029 -6.411 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.491 0.346 -5.865 1.00 0.00 O ATOM 269 CG2 THR A 17 -16.039 -1.475 -5.949 1.00 0.00 C ATOM 0 H THR A 17 -15.040 1.606 -7.727 1.00 0.00 H new ATOM 0 HA THR A 17 -15.772 1.497 -4.987 1.00 0.00 H new ATOM 0 HB THR A 17 -16.121 0.023 -7.494 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.193 -0.226 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.767 -2.115 -6.447 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.032 -1.807 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.182 -1.534 -4.870 1.00 0.00 H new ATOM 277 N SER A 18 -13.063 -0.104 -5.780 1.00 0.00 N ATOM 278 CA SER A 18 -11.908 -0.784 -5.220 1.00 0.00 C ATOM 279 C SER A 18 -11.108 0.180 -4.341 1.00 0.00 C ATOM 280 O SER A 18 -10.898 -0.080 -3.158 1.00 0.00 O ATOM 281 CB SER A 18 -11.017 -1.359 -6.323 1.00 0.00 C ATOM 282 OG SER A 18 -11.778 -1.824 -7.435 1.00 0.00 O ATOM 0 H SER A 18 -13.000 0.091 -6.779 1.00 0.00 H new ATOM 0 HA SER A 18 -12.264 -1.613 -4.609 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.315 -0.595 -6.658 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.425 -2.181 -5.920 1.00 0.00 H new ATOM 0 HG SER A 18 -11.230 -2.429 -7.977 1.00 0.00 H new ATOM 288 N ARG A 19 -10.682 1.274 -4.955 1.00 0.00 N ATOM 289 CA ARG A 19 -9.910 2.279 -4.244 1.00 0.00 C ATOM 290 C ARG A 19 -10.746 2.893 -3.119 1.00 0.00 C ATOM 291 O ARG A 19 -10.205 3.319 -2.100 1.00 0.00 O ATOM 292 CB ARG A 19 -9.447 3.389 -5.189 1.00 0.00 C ATOM 293 CG ARG A 19 -9.563 4.762 -4.523 1.00 0.00 C ATOM 294 CD ARG A 19 -11.005 5.271 -4.563 1.00 0.00 C ATOM 295 NE ARG A 19 -11.031 6.687 -4.990 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.014 7.545 -4.686 1.00 0.00 C ATOM 297 NH1 ARG A 19 -13.058 7.136 -3.952 1.00 0.00 N ATOM 298 NH2 ARG A 19 -11.953 8.813 -5.116 1.00 0.00 N ATOM 0 H ARG A 19 -10.857 1.487 -5.937 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.033 1.786 -3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.413 3.211 -5.485 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.047 3.371 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.225 4.698 -3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.909 5.472 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.594 4.665 -5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.462 5.171 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.252 7.032 -5.551 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.104 6.171 -3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.806 7.790 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.158 9.124 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.701 9.466 -4.885 1.00 0.00 H new ATOM 312 N LEU A 20 -12.051 2.919 -3.342 1.00 0.00 N ATOM 313 CA LEU A 20 -12.968 3.473 -2.360 1.00 0.00 C ATOM 314 C LEU A 20 -13.050 2.532 -1.157 1.00 0.00 C ATOM 315 O LEU A 20 -13.010 2.978 -0.011 1.00 0.00 O ATOM 316 CB LEU A 20 -14.324 3.773 -3.001 1.00 0.00 C ATOM 317 CG LEU A 20 -15.456 4.139 -2.038 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.342 5.238 -2.627 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.263 2.900 -1.645 1.00 0.00 C ATOM 0 H LEU A 20 -12.496 2.565 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.598 4.430 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.196 4.593 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.632 2.901 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.013 4.537 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.138 5.480 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.741 6.128 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.778 4.891 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.061 3.188 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.696 2.449 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.608 2.179 -1.156 1.00 0.00 H new ATOM 331 N LEU A 21 -13.165 1.247 -1.459 1.00 0.00 N ATOM 332 CA LEU A 21 -13.254 0.238 -0.417 1.00 0.00 C ATOM 333 C LEU A 21 -12.011 0.319 0.472 1.00 0.00 C ATOM 334 O LEU A 21 -12.122 0.496 1.684 1.00 0.00 O ATOM 335 CB LEU A 21 -13.483 -1.145 -1.029 1.00 0.00 C ATOM 336 CG LEU A 21 -14.917 -1.458 -1.460 1.00 0.00 C ATOM 337 CD1 LEU A 21 -14.944 -2.585 -2.496 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.798 -1.772 -0.249 1.00 0.00 C ATOM 0 H LEU A 21 -13.199 0.881 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.117 0.425 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.833 -1.248 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.170 -1.897 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.332 -0.570 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.975 -2.788 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.372 -2.285 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.504 -3.485 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.812 -1.991 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.396 -2.636 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.815 -0.913 0.421 1.00 0.00 H new ATOM 350 N LEU A 22 -10.857 0.185 -0.164 1.00 0.00 N ATOM 351 CA LEU A 22 -9.596 0.241 0.554 1.00 0.00 C ATOM 352 C LEU A 22 -9.514 1.556 1.331 1.00 0.00 C ATOM 353 O LEU A 22 -9.214 1.558 2.525 1.00 0.00 O ATOM 354 CB LEU A 22 -8.423 0.019 -0.405 1.00 0.00 C ATOM 355 CG LEU A 22 -8.535 0.700 -1.770 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.674 1.963 -1.825 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.196 -0.277 -2.898 1.00 0.00 C ATOM 0 H LEU A 22 -10.769 0.038 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.538 -0.566 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.512 0.369 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.308 -1.053 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.570 1.011 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.772 2.428 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.005 2.663 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.631 1.700 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.283 0.231 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.176 -0.640 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.887 -1.119 -2.870 1.00 0.00 H new ATOM 369 N GLY A 23 -9.785 2.642 0.624 1.00 0.00 N ATOM 370 CA GLY A 23 -9.746 3.962 1.233 1.00 0.00 C ATOM 371 C GLY A 23 -10.787 4.081 2.348 1.00 0.00 C ATOM 372 O GLY A 23 -10.594 4.830 3.305 1.00 0.00 O ATOM 0 H GLY A 23 -10.033 2.636 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.751 4.151 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.932 4.722 0.474 1.00 0.00 H new ATOM 376 N ASP A 24 -11.868 3.331 2.189 1.00 0.00 N ATOM 377 CA ASP A 24 -12.938 3.344 3.171 1.00 0.00 C ATOM 378 C ASP A 24 -12.516 2.523 4.391 1.00 0.00 C ATOM 379 O ASP A 24 -12.659 2.974 5.527 1.00 0.00 O ATOM 380 CB ASP A 24 -14.215 2.721 2.601 1.00 0.00 C ATOM 381 CG ASP A 24 -15.469 2.924 3.453 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.312 3.441 4.581 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.557 2.558 2.959 1.00 0.00 O ATOM 0 H ASP A 24 -12.025 2.711 1.395 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.132 4.381 3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.395 3.140 1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.052 1.651 2.470 1.00 0.00 H new ATOM 388 N ALA A 25 -12.004 1.332 4.115 1.00 0.00 N ATOM 389 CA ALA A 25 -11.560 0.445 5.176 1.00 0.00 C ATOM 390 C ALA A 25 -10.465 1.137 5.990 1.00 0.00 C ATOM 391 O ALA A 25 -10.515 1.151 7.220 1.00 0.00 O ATOM 392 CB ALA A 25 -11.086 -0.878 4.570 1.00 0.00 C ATOM 0 H ALA A 25 -11.887 0.961 3.172 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.382 0.218 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.753 -1.544 5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.908 -1.345 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.259 -0.689 3.885 1.00 0.00 H new ATOM 398 N LEU A 26 -9.503 1.697 5.272 1.00 0.00 N ATOM 399 CA LEU A 26 -8.398 2.390 5.913 1.00 0.00 C ATOM 400 C LEU A 26 -8.904 3.704 6.511 1.00 0.00 C ATOM 401 O LEU A 26 -8.330 4.214 7.471 1.00 0.00 O ATOM 402 CB LEU A 26 -7.236 2.567 4.933 1.00 0.00 C ATOM 403 CG LEU A 26 -6.179 1.461 4.938 1.00 0.00 C ATOM 404 CD1 LEU A 26 -5.186 1.658 6.085 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.832 0.079 4.977 1.00 0.00 C ATOM 0 H LEU A 26 -9.466 1.685 4.253 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.002 1.796 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.645 2.646 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.743 3.514 5.152 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.614 1.524 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.445 0.859 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.685 2.620 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.719 1.636 7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.058 -0.689 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.437 -0.012 5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.467 -0.048 4.100 1.00 0.00 H new ATOM 417 N GLN A 27 -9.973 4.214 5.918 1.00 0.00 N ATOM 418 CA GLN A 27 -10.564 5.458 6.381 1.00 0.00 C ATOM 419 C GLN A 27 -11.047 5.312 7.825 1.00 0.00 C ATOM 420 O GLN A 27 -10.748 6.153 8.671 1.00 0.00 O ATOM 421 CB GLN A 27 -11.705 5.899 5.462 1.00 0.00 C ATOM 422 CG GLN A 27 -11.253 7.018 4.523 1.00 0.00 C ATOM 423 CD GLN A 27 -11.716 8.384 5.033 1.00 0.00 C ATOM 424 OE1 GLN A 27 -11.356 8.827 6.111 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.533 9.023 4.201 1.00 0.00 N ATOM 0 H GLN A 27 -10.446 3.788 5.121 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.799 6.233 6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.055 5.048 4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.548 6.242 6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.167 7.008 4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.654 6.844 3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.794 8.594 3.313 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.898 9.942 4.451 1.00 0.00 H new ATOM 434 N GLN A 28 -11.787 4.239 8.062 1.00 0.00 N ATOM 435 CA GLN A 28 -12.313 3.971 9.389 1.00 0.00 C ATOM 436 C GLN A 28 -11.170 3.750 10.380 1.00 0.00 C ATOM 437 O GLN A 28 -11.386 3.744 11.591 1.00 0.00 O ATOM 438 CB GLN A 28 -13.263 2.772 9.370 1.00 0.00 C ATOM 439 CG GLN A 28 -14.546 3.075 10.147 1.00 0.00 C ATOM 440 CD GLN A 28 -14.626 2.237 11.424 1.00 0.00 C ATOM 441 OE1 GLN A 28 -15.762 1.560 11.557 1.00 0.00 O flip ATOM 442 NE2 GLN A 28 -13.714 2.206 12.235 1.00 0.00 N flip ATOM 0 H GLN A 28 -12.035 3.545 7.357 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.884 4.840 9.714 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.510 2.516 8.340 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.767 1.904 9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.580 4.135 10.401 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.413 2.870 9.519 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.867 2.751 12.071 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.799 1.635 13.076 1.00 0.00 H new ATOM 451 N LEU A 29 -9.978 3.574 9.830 1.00 0.00 N ATOM 452 CA LEU A 29 -8.800 3.352 10.651 1.00 0.00 C ATOM 453 C LEU A 29 -8.083 4.685 10.877 1.00 0.00 C ATOM 454 O LEU A 29 -7.202 4.783 11.729 1.00 0.00 O ATOM 455 CB LEU A 29 -7.909 2.273 10.031 1.00 0.00 C ATOM 456 CG LEU A 29 -6.415 2.593 9.964 1.00 0.00 C ATOM 457 CD1 LEU A 29 -5.799 2.631 11.363 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.686 1.613 9.042 1.00 0.00 C ATOM 0 H LEU A 29 -9.802 3.581 8.825 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.086 2.972 11.632 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.038 1.352 10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.263 2.074 9.020 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.297 3.588 9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.736 2.861 11.286 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.294 3.399 11.958 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.927 1.661 11.843 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.625 1.862 9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.810 0.598 9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.103 1.680 8.037 1.00 0.00 H new ATOM 470 N GLY A 30 -8.487 5.677 10.097 1.00 0.00 N ATOM 471 CA GLY A 30 -7.894 7.000 10.200 1.00 0.00 C ATOM 472 C GLY A 30 -6.435 6.984 9.743 1.00 0.00 C ATOM 473 O GLY A 30 -5.608 7.727 10.270 1.00 0.00 O ATOM 0 H GLY A 30 -9.218 5.591 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.461 7.705 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.952 7.349 11.231 1.00 0.00 H new ATOM 477 N PHE A 31 -6.162 6.129 8.768 1.00 0.00 N ATOM 478 CA PHE A 31 -4.817 6.007 8.234 1.00 0.00 C ATOM 479 C PHE A 31 -3.981 7.246 8.563 1.00 0.00 C ATOM 480 O PHE A 31 -3.527 7.409 9.694 1.00 0.00 O ATOM 481 CB PHE A 31 -4.948 5.885 6.714 1.00 0.00 C ATOM 482 CG PHE A 31 -5.949 6.862 6.095 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.235 6.892 6.541 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.555 7.702 5.101 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.164 7.799 5.967 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.484 8.609 4.527 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.769 8.638 4.971 1.00 0.00 C ATOM 0 H PHE A 31 -6.850 5.514 8.334 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.321 5.140 8.671 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.970 6.048 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.249 4.867 6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.548 6.226 7.331 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.535 7.679 4.748 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.184 7.823 6.321 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.170 9.276 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.476 9.327 4.533 1.00 0.00 H new ATOM 497 N LYS A 32 -3.806 8.087 7.555 1.00 0.00 N ATOM 498 CA LYS A 32 -3.033 9.306 7.723 1.00 0.00 C ATOM 499 C LYS A 32 -3.333 10.259 6.565 1.00 0.00 C ATOM 500 O LYS A 32 -3.708 11.409 6.784 1.00 0.00 O ATOM 501 CB LYS A 32 -1.547 8.980 7.883 1.00 0.00 C ATOM 502 CG LYS A 32 -0.856 9.999 8.793 1.00 0.00 C ATOM 503 CD LYS A 32 -0.947 9.572 10.260 1.00 0.00 C ATOM 504 CE LYS A 32 -0.785 10.775 11.191 1.00 0.00 C ATOM 505 NZ LYS A 32 -0.942 10.363 12.603 1.00 0.00 N ATOM 0 H LYS A 32 -4.186 7.949 6.619 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.324 9.818 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.434 7.979 8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.065 8.975 6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.190 10.100 8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.318 10.978 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.908 9.092 10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.175 8.833 10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.197 11.226 11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.525 11.536 10.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.829 11.192 13.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.888 9.954 12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.220 9.653 12.840 1.00 0.00 H new ATOM 519 N GLN A 33 -3.156 9.745 5.356 1.00 0.00 N ATOM 520 CA GLN A 33 -3.403 10.536 4.163 1.00 0.00 C ATOM 521 C GLN A 33 -3.670 9.622 2.966 1.00 0.00 C ATOM 522 O GLN A 33 -2.854 8.758 2.646 1.00 0.00 O ATOM 523 CB GLN A 33 -2.234 11.482 3.881 1.00 0.00 C ATOM 524 CG GLN A 33 -2.617 12.932 4.181 1.00 0.00 C ATOM 525 CD GLN A 33 -2.626 13.773 2.903 1.00 0.00 C ATOM 526 OE1 GLN A 33 -2.964 13.310 1.827 1.00 0.00 O ATOM 527 NE2 GLN A 33 -2.238 15.032 3.082 1.00 0.00 N ATOM 0 H GLN A 33 -2.844 8.790 5.178 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.289 11.147 4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.375 11.196 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.931 11.391 2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.602 12.963 4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.912 13.358 4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.968 15.355 4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.211 15.675 2.290 1.00 0.00 H new ATOM 536 N ILE A 34 -4.814 9.843 2.337 1.00 0.00 N ATOM 537 CA ILE A 34 -5.199 9.049 1.182 1.00 0.00 C ATOM 538 C ILE A 34 -4.800 9.791 -0.096 1.00 0.00 C ATOM 539 O ILE A 34 -5.367 10.835 -0.415 1.00 0.00 O ATOM 540 CB ILE A 34 -6.685 8.693 1.247 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.514 9.883 1.736 1.00 0.00 C ATOM 542 CG2 ILE A 34 -6.913 7.446 2.103 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.839 9.977 0.977 1.00 0.00 C ATOM 0 H ILE A 34 -5.488 10.561 2.605 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.667 8.097 1.179 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.024 8.458 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.709 9.781 2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.948 10.805 1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.978 7.215 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.371 6.605 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.553 7.629 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.409 10.831 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.640 10.103 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.413 9.064 1.133 1.00 0.00 H new ATOM 555 N THR A 35 -3.828 9.220 -0.793 1.00 0.00 N ATOM 556 CA THR A 35 -3.346 9.814 -2.029 1.00 0.00 C ATOM 557 C THR A 35 -3.467 8.815 -3.182 1.00 0.00 C ATOM 558 O THR A 35 -2.822 7.768 -3.172 1.00 0.00 O ATOM 559 CB THR A 35 -1.916 10.300 -1.794 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.059 11.695 -1.541 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.060 10.238 -3.060 1.00 0.00 C ATOM 0 H THR A 35 -3.362 8.353 -0.526 1.00 0.00 H new ATOM 0 HA THR A 35 -3.952 10.672 -2.318 1.00 0.00 H new ATOM 0 HB THR A 35 -1.453 9.697 -1.013 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.177 12.090 -1.376 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.054 10.594 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.010 9.209 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.505 10.867 -3.831 1.00 0.00 H new ATOM 569 N ALA A 36 -4.298 9.175 -4.150 1.00 0.00 N ATOM 570 CA ALA A 36 -4.511 8.325 -5.308 1.00 0.00 C ATOM 571 C ALA A 36 -4.225 9.123 -6.582 1.00 0.00 C ATOM 572 O ALA A 36 -4.578 10.298 -6.674 1.00 0.00 O ATOM 573 CB ALA A 36 -5.935 7.767 -5.277 1.00 0.00 C ATOM 0 H ALA A 36 -4.832 10.044 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.828 7.476 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.095 7.129 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.077 7.183 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.649 8.590 -5.295 1.00 0.00 H new ATOM 579 N ALA A 37 -3.589 8.453 -7.531 1.00 0.00 N ATOM 580 CA ALA A 37 -3.252 9.085 -8.795 1.00 0.00 C ATOM 581 C ALA A 37 -3.255 8.031 -9.905 1.00 0.00 C ATOM 582 O ALA A 37 -2.659 6.966 -9.756 1.00 0.00 O ATOM 583 CB ALA A 37 -1.901 9.792 -8.668 1.00 0.00 C ATOM 0 H ALA A 37 -3.298 7.479 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.993 9.841 -9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.648 10.266 -9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.959 10.550 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.132 9.064 -8.410 1.00 0.00 H new ATOM 589 N GLY A 38 -3.935 8.365 -10.992 1.00 0.00 N ATOM 590 CA GLY A 38 -4.024 7.461 -12.126 1.00 0.00 C ATOM 591 C GLY A 38 -4.014 6.001 -11.666 1.00 0.00 C ATOM 592 O GLY A 38 -5.067 5.418 -11.418 1.00 0.00 O ATOM 0 H GLY A 38 -4.429 9.249 -11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.937 7.663 -12.686 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.189 7.638 -12.803 1.00 0.00 H new ATOM 596 N ASP A 39 -2.811 5.455 -11.566 1.00 0.00 N ATOM 597 CA ASP A 39 -2.650 4.075 -11.140 1.00 0.00 C ATOM 598 C ASP A 39 -1.345 3.938 -10.354 1.00 0.00 C ATOM 599 O ASP A 39 -0.696 4.936 -10.042 1.00 0.00 O ATOM 600 CB ASP A 39 -2.578 3.132 -12.343 1.00 0.00 C ATOM 601 CG ASP A 39 -3.731 2.132 -12.450 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.194 1.684 -11.380 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.122 1.839 -13.600 1.00 0.00 O ATOM 0 H ASP A 39 -1.939 5.943 -11.772 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.509 3.810 -10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.550 3.730 -13.254 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.640 2.579 -12.296 1.00 0.00 H new ATOM 608 N GLY A 40 -0.998 2.694 -10.055 1.00 0.00 N ATOM 609 CA GLY A 40 0.218 2.414 -9.311 1.00 0.00 C ATOM 610 C GLY A 40 1.369 3.302 -9.788 1.00 0.00 C ATOM 611 O GLY A 40 2.115 3.846 -8.975 1.00 0.00 O ATOM 0 H GLY A 40 -1.538 1.869 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.044 2.578 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.489 1.365 -9.432 1.00 0.00 H new ATOM 615 N GLU A 41 1.477 3.422 -11.103 1.00 0.00 N ATOM 616 CA GLU A 41 2.525 4.234 -11.696 1.00 0.00 C ATOM 617 C GLU A 41 2.289 5.714 -11.385 1.00 0.00 C ATOM 618 O GLU A 41 3.167 6.386 -10.846 1.00 0.00 O ATOM 619 CB GLU A 41 2.612 3.999 -13.206 1.00 0.00 C ATOM 620 CG GLU A 41 3.563 2.844 -13.526 1.00 0.00 C ATOM 621 CD GLU A 41 4.135 2.981 -14.938 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.504 3.703 -15.740 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.192 2.360 -15.184 1.00 0.00 O ATOM 0 H GLU A 41 0.856 2.970 -11.774 1.00 0.00 H new ATOM 0 HA GLU A 41 3.479 3.938 -11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.620 3.779 -13.601 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.958 4.907 -13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.376 2.826 -12.800 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.033 1.896 -13.435 1.00 0.00 H new ATOM 630 N GLN A 42 1.100 6.178 -11.738 1.00 0.00 N ATOM 631 CA GLN A 42 0.738 7.566 -11.503 1.00 0.00 C ATOM 632 C GLN A 42 0.802 7.885 -10.009 1.00 0.00 C ATOM 633 O GLN A 42 1.324 8.927 -9.614 1.00 0.00 O ATOM 634 CB GLN A 42 -0.649 7.875 -12.070 1.00 0.00 C ATOM 635 CG GLN A 42 -0.709 9.299 -12.625 1.00 0.00 C ATOM 636 CD GLN A 42 -1.117 9.298 -14.100 1.00 0.00 C ATOM 637 OE1 GLN A 42 -2.213 9.687 -14.469 1.00 0.00 O ATOM 638 NE2 GLN A 42 -0.176 8.837 -14.920 1.00 0.00 N ATOM 0 H GLN A 42 0.374 5.618 -12.185 1.00 0.00 H new ATOM 0 HA GLN A 42 1.456 8.201 -12.022 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.890 7.163 -12.859 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.400 7.753 -11.290 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.422 9.888 -12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.264 9.777 -12.514 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.720 8.527 -14.545 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.351 8.794 -15.924 1.00 0.00 H new ATOM 647 N GLY A 43 0.263 6.970 -9.217 1.00 0.00 N ATOM 648 CA GLY A 43 0.253 7.140 -7.773 1.00 0.00 C ATOM 649 C GLY A 43 1.657 6.966 -7.190 1.00 0.00 C ATOM 650 O GLY A 43 1.954 7.480 -6.113 1.00 0.00 O ATOM 0 H GLY A 43 -0.170 6.108 -9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.128 8.130 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.424 6.414 -7.323 1.00 0.00 H new ATOM 654 N MET A 44 2.483 6.238 -7.928 1.00 0.00 N ATOM 655 CA MET A 44 3.848 5.987 -7.497 1.00 0.00 C ATOM 656 C MET A 44 4.677 7.273 -7.533 1.00 0.00 C ATOM 657 O MET A 44 5.359 7.602 -6.563 1.00 0.00 O ATOM 658 CB MET A 44 4.488 4.941 -8.411 1.00 0.00 C ATOM 659 CG MET A 44 6.015 5.001 -8.328 1.00 0.00 C ATOM 660 SD MET A 44 6.536 4.942 -6.622 1.00 0.00 S ATOM 661 CE MET A 44 8.205 5.555 -6.786 1.00 0.00 C ATOM 0 H MET A 44 2.233 5.814 -8.821 1.00 0.00 H new ATOM 0 HA MET A 44 3.825 5.619 -6.471 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.144 3.946 -8.128 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.169 5.108 -9.440 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.450 4.167 -8.879 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.377 5.916 -8.796 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.715 5.483 -5.825 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.740 4.960 -7.526 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.180 6.596 -7.107 1.00 0.00 H new ATOM 671 N LYS A 45 4.592 7.964 -8.660 1.00 0.00 N ATOM 672 CA LYS A 45 5.326 9.205 -8.835 1.00 0.00 C ATOM 673 C LYS A 45 4.706 10.289 -7.949 1.00 0.00 C ATOM 674 O LYS A 45 5.421 11.080 -7.337 1.00 0.00 O ATOM 675 CB LYS A 45 5.393 9.585 -10.315 1.00 0.00 C ATOM 676 CG LYS A 45 3.990 9.720 -10.911 1.00 0.00 C ATOM 677 CD LYS A 45 3.915 9.068 -12.292 1.00 0.00 C ATOM 678 CE LYS A 45 5.035 9.579 -13.201 1.00 0.00 C ATOM 679 NZ LYS A 45 4.469 10.255 -14.390 1.00 0.00 N ATOM 0 H LYS A 45 4.025 7.687 -9.462 1.00 0.00 H new ATOM 0 HA LYS A 45 6.361 9.083 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.932 10.525 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.954 8.828 -10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.262 9.255 -10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.724 10.774 -10.988 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.989 7.985 -12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.947 9.281 -12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.671 10.272 -12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.666 8.747 -13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.242 10.596 -14.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.881 9.584 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.886 11.061 -14.086 1.00 0.00 H new ATOM 693 N ILE A 46 3.381 10.288 -7.909 1.00 0.00 N ATOM 694 CA ILE A 46 2.657 11.261 -7.109 1.00 0.00 C ATOM 695 C ILE A 46 2.944 11.011 -5.627 1.00 0.00 C ATOM 696 O ILE A 46 3.001 11.951 -4.836 1.00 0.00 O ATOM 697 CB ILE A 46 1.167 11.239 -7.458 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.875 12.131 -8.667 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.314 11.618 -6.247 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.342 11.467 -9.964 1.00 0.00 C ATOM 0 H ILE A 46 2.791 9.629 -8.417 1.00 0.00 H new ATOM 0 HA ILE A 46 3.000 12.271 -7.335 1.00 0.00 H new ATOM 0 HB ILE A 46 0.896 10.220 -7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.194 12.335 -8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.377 13.091 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.740 11.594 -6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.494 10.909 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.580 12.621 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.123 12.122 -10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.416 11.287 -9.914 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.821 10.519 -10.096 1.00 0.00 H new ATOM 712 N MET A 47 3.118 9.740 -5.297 1.00 0.00 N ATOM 713 CA MET A 47 3.399 9.355 -3.924 1.00 0.00 C ATOM 714 C MET A 47 4.861 9.630 -3.564 1.00 0.00 C ATOM 715 O MET A 47 5.149 10.187 -2.506 1.00 0.00 O ATOM 716 CB MET A 47 3.098 7.867 -3.739 1.00 0.00 C ATOM 717 CG MET A 47 3.759 7.328 -2.468 1.00 0.00 C ATOM 718 SD MET A 47 3.736 5.543 -2.478 1.00 0.00 S ATOM 719 CE MET A 47 5.141 5.221 -3.532 1.00 0.00 C ATOM 0 H MET A 47 3.070 8.963 -5.956 1.00 0.00 H new ATOM 0 HA MET A 47 2.765 9.948 -3.264 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.020 7.714 -3.686 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.456 7.309 -4.604 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.786 7.686 -2.402 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.234 7.702 -1.589 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.631 4.301 -3.214 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.805 5.115 -4.564 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.845 6.050 -3.463 1.00 0.00 H new ATOM 729 N ALA A 48 5.744 9.227 -4.466 1.00 0.00 N ATOM 730 CA ALA A 48 7.168 9.423 -4.258 1.00 0.00 C ATOM 731 C ALA A 48 7.473 10.922 -4.230 1.00 0.00 C ATOM 732 O ALA A 48 8.227 11.390 -3.377 1.00 0.00 O ATOM 733 CB ALA A 48 7.950 8.689 -5.350 1.00 0.00 C ATOM 0 H ALA A 48 5.500 8.766 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 48 7.477 9.005 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.019 8.836 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.721 7.624 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.668 9.083 -6.326 1.00 0.00 H new ATOM 739 N GLN A 49 6.872 11.634 -5.172 1.00 0.00 N ATOM 740 CA GLN A 49 7.070 13.070 -5.266 1.00 0.00 C ATOM 741 C GLN A 49 6.829 13.729 -3.907 1.00 0.00 C ATOM 742 O GLN A 49 7.280 14.848 -3.666 1.00 0.00 O ATOM 743 CB GLN A 49 6.167 13.679 -6.339 1.00 0.00 C ATOM 744 CG GLN A 49 6.911 13.818 -7.668 1.00 0.00 C ATOM 745 CD GLN A 49 7.592 15.184 -7.776 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.102 16.190 -7.291 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.746 15.163 -8.438 1.00 0.00 N ATOM 0 H GLN A 49 6.247 11.243 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 49 8.103 13.256 -5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.285 13.053 -6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.815 14.657 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.657 13.028 -7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.212 13.690 -8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.100 14.285 -8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.277 16.025 -8.564 1.00 0.00 H new ATOM 756 N ASN A 50 6.118 13.008 -3.052 1.00 0.00 N ATOM 757 CA ASN A 50 5.811 13.509 -1.723 1.00 0.00 C ATOM 758 C ASN A 50 6.041 12.397 -0.699 1.00 0.00 C ATOM 759 O ASN A 50 6.519 11.317 -1.045 1.00 0.00 O ATOM 760 CB ASN A 50 4.348 13.947 -1.625 1.00 0.00 C ATOM 761 CG ASN A 50 3.717 14.069 -3.013 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.344 14.486 -3.974 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.445 13.682 -3.065 1.00 0.00 N ATOM 0 H ASN A 50 5.746 12.080 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 50 6.458 14.364 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.788 13.226 -1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.285 14.905 -1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.935 13.724 -3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.980 13.343 -2.223 1.00 0.00 H new ATOM 770 N PRO A 51 5.681 12.706 0.576 1.00 0.00 N ATOM 771 CA PRO A 51 5.844 11.746 1.654 1.00 0.00 C ATOM 772 C PRO A 51 4.775 10.654 1.581 1.00 0.00 C ATOM 773 O PRO A 51 3.666 10.896 1.107 1.00 0.00 O ATOM 774 CB PRO A 51 5.766 12.569 2.930 1.00 0.00 C ATOM 775 CG PRO A 51 5.101 13.880 2.540 1.00 0.00 C ATOM 776 CD PRO A 51 5.112 13.974 1.023 1.00 0.00 C ATOM 0 HA PRO A 51 6.791 11.209 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.188 12.050 3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.759 12.743 3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.079 13.917 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.634 14.724 2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.106 14.118 0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.711 14.819 0.683 1.00 0.00 H new ATOM 784 N HIS A 52 5.146 9.474 2.059 1.00 0.00 N ATOM 785 CA HIS A 52 4.234 8.344 2.052 1.00 0.00 C ATOM 786 C HIS A 52 4.787 7.234 2.949 1.00 0.00 C ATOM 787 O HIS A 52 5.992 7.161 3.181 1.00 0.00 O ATOM 788 CB HIS A 52 3.962 7.872 0.624 1.00 0.00 C ATOM 789 CG HIS A 52 5.189 7.380 -0.105 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.132 8.236 -0.649 1.00 0.00 N ATOM 791 CD2 HIS A 52 5.619 6.114 -0.374 1.00 0.00 C ATOM 792 CE1 HIS A 52 7.081 7.507 -1.216 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.761 6.192 -1.045 1.00 0.00 N ATOM 0 H HIS A 52 6.066 9.277 2.453 1.00 0.00 H new ATOM 0 HA HIS A 52 3.270 8.648 2.460 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.223 7.071 0.652 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.521 8.693 0.059 1.00 0.00 H new ATOM 0 HD1 HIS A 52 6.101 9.255 -0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.115 5.202 -0.089 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.955 7.887 -1.724 1.00 0.00 H new ATOM 802 N HIS A 53 3.878 6.396 3.429 1.00 0.00 N ATOM 803 CA HIS A 53 4.259 5.295 4.294 1.00 0.00 C ATOM 804 C HIS A 53 3.338 4.100 4.040 1.00 0.00 C ATOM 805 O HIS A 53 3.306 3.156 4.829 1.00 0.00 O ATOM 806 CB HIS A 53 4.271 5.733 5.760 1.00 0.00 C ATOM 807 CG HIS A 53 4.617 4.627 6.728 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.662 3.800 7.294 1.00 0.00 N ATOM 809 CD2 HIS A 53 5.821 4.221 7.225 1.00 0.00 C ATOM 810 CE1 HIS A 53 4.275 2.939 8.094 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.613 3.203 8.050 1.00 0.00 N ATOM 0 H HIS A 53 2.879 6.459 3.234 1.00 0.00 H new ATOM 0 HA HIS A 53 5.277 4.981 4.061 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.988 6.545 5.880 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.290 6.133 6.017 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.657 3.845 7.124 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.781 4.655 6.987 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.799 2.165 8.678 1.00 0.00 H new ATOM 820 N LEU A 54 2.611 4.179 2.935 1.00 0.00 N ATOM 821 CA LEU A 54 1.690 3.116 2.566 1.00 0.00 C ATOM 822 C LEU A 54 1.439 3.165 1.058 1.00 0.00 C ATOM 823 O LEU A 54 1.207 4.235 0.498 1.00 0.00 O ATOM 824 CB LEU A 54 0.414 3.198 3.406 1.00 0.00 C ATOM 825 CG LEU A 54 0.357 2.282 4.630 1.00 0.00 C ATOM 826 CD1 LEU A 54 -0.102 3.052 5.869 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.520 1.057 4.358 1.00 0.00 C ATOM 0 H LEU A 54 2.641 4.963 2.283 1.00 0.00 H new ATOM 0 HA LEU A 54 2.125 2.141 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.289 4.228 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.436 2.966 2.764 1.00 0.00 H new ATOM 0 HG LEU A 54 1.364 1.918 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.134 2.378 6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.596 3.864 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.096 3.464 5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.544 0.422 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.532 1.381 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.109 0.494 3.520 1.00 0.00 H new ATOM 839 N VAL A 55 1.494 1.993 0.443 1.00 0.00 N ATOM 840 CA VAL A 55 1.275 1.889 -0.989 1.00 0.00 C ATOM 841 C VAL A 55 0.313 0.733 -1.271 1.00 0.00 C ATOM 842 O VAL A 55 0.732 -0.420 -1.360 1.00 0.00 O ATOM 843 CB VAL A 55 2.614 1.742 -1.714 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.429 1.820 -3.231 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.618 2.791 -1.229 1.00 0.00 C ATOM 0 H VAL A 55 1.687 1.107 0.910 1.00 0.00 H new ATOM 0 HA VAL A 55 0.812 2.799 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 55 3.017 0.757 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.396 1.713 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.765 1.020 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.993 2.783 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.561 2.665 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.224 3.789 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.785 2.668 -0.159 1.00 0.00 H new ATOM 855 N ILE A 56 -0.958 1.082 -1.404 1.00 0.00 N ATOM 856 CA ILE A 56 -1.983 0.088 -1.674 1.00 0.00 C ATOM 857 C ILE A 56 -2.597 0.356 -3.050 1.00 0.00 C ATOM 858 O ILE A 56 -2.899 1.500 -3.387 1.00 0.00 O ATOM 859 CB ILE A 56 -3.009 0.054 -0.539 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.258 0.857 -0.905 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.387 0.529 0.776 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.181 1.018 0.304 1.00 0.00 C ATOM 0 H ILE A 56 -1.302 2.040 -1.330 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.546 -0.910 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.323 -0.980 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.967 1.839 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.793 0.356 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.137 0.495 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.553 -0.121 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.028 1.552 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.061 1.593 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.490 0.035 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.651 1.541 1.100 1.00 0.00 H new ATOM 874 N SER A 57 -2.763 -0.719 -3.807 1.00 0.00 N ATOM 875 CA SER A 57 -3.336 -0.615 -5.138 1.00 0.00 C ATOM 876 C SER A 57 -4.226 -1.826 -5.422 1.00 0.00 C ATOM 877 O SER A 57 -4.242 -2.784 -4.650 1.00 0.00 O ATOM 878 CB SER A 57 -2.241 -0.501 -6.201 1.00 0.00 C ATOM 879 OG SER A 57 -2.366 -1.502 -7.206 1.00 0.00 O ATOM 0 H SER A 57 -2.511 -1.666 -3.524 1.00 0.00 H new ATOM 0 HA SER A 57 -3.942 0.290 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.286 0.485 -6.664 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.264 -0.585 -5.725 1.00 0.00 H new ATOM 0 HG SER A 57 -1.650 -1.394 -7.866 1.00 0.00 H new ATOM 885 N ASP A 58 -4.945 -1.746 -6.531 1.00 0.00 N ATOM 886 CA ASP A 58 -5.836 -2.824 -6.926 1.00 0.00 C ATOM 887 C ASP A 58 -5.130 -3.712 -7.953 1.00 0.00 C ATOM 888 O ASP A 58 -3.946 -3.527 -8.229 1.00 0.00 O ATOM 889 CB ASP A 58 -7.111 -2.277 -7.570 1.00 0.00 C ATOM 890 CG ASP A 58 -8.415 -2.838 -6.999 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.447 -3.062 -5.770 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.351 -3.030 -7.806 1.00 0.00 O ATOM 0 H ASP A 58 -4.929 -0.951 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.099 -3.390 -6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.120 -1.193 -7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.080 -2.488 -8.639 1.00 0.00 H new ATOM 897 N PHE A 59 -5.888 -4.656 -8.492 1.00 0.00 N ATOM 898 CA PHE A 59 -5.351 -5.572 -9.483 1.00 0.00 C ATOM 899 C PHE A 59 -6.040 -5.383 -10.836 1.00 0.00 C ATOM 900 O PHE A 59 -5.935 -6.238 -11.715 1.00 0.00 O ATOM 901 CB PHE A 59 -5.625 -6.990 -8.977 1.00 0.00 C ATOM 902 CG PHE A 59 -7.026 -7.179 -8.388 1.00 0.00 C ATOM 903 CD1 PHE A 59 -8.061 -6.420 -8.837 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.233 -8.107 -7.415 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.360 -6.597 -8.290 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.532 -8.282 -6.867 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.568 -7.523 -7.317 1.00 0.00 C ATOM 0 H PHE A 59 -6.870 -4.806 -8.261 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.285 -5.388 -9.620 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.490 -7.691 -9.800 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.885 -7.244 -8.218 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.896 -5.683 -9.609 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.411 -8.710 -7.059 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.183 -5.996 -8.647 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.697 -9.017 -6.093 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.556 -7.656 -6.901 1.00 0.00 H new ATOM 917 N ASN A 60 -6.731 -4.259 -10.960 1.00 0.00 N ATOM 918 CA ASN A 60 -7.438 -3.947 -12.191 1.00 0.00 C ATOM 919 C ASN A 60 -6.447 -3.952 -13.358 1.00 0.00 C ATOM 920 O ASN A 60 -6.354 -4.934 -14.092 1.00 0.00 O ATOM 921 CB ASN A 60 -8.080 -2.561 -12.121 1.00 0.00 C ATOM 922 CG ASN A 60 -9.605 -2.664 -12.069 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.216 -2.694 -11.014 1.00 0.00 O ATOM 924 ND2 ASN A 60 -10.184 -2.719 -13.265 1.00 0.00 N ATOM 0 H ASN A 60 -6.816 -3.553 -10.228 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.216 -4.697 -12.333 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.718 -2.033 -11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.781 -1.974 -12.989 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.199 -2.791 -13.337 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.613 -2.689 -14.110 1.00 0.00 H new ATOM 931 N MET A 61 -5.735 -2.844 -13.492 1.00 0.00 N ATOM 932 CA MET A 61 -4.755 -2.708 -14.556 1.00 0.00 C ATOM 933 C MET A 61 -3.728 -1.624 -14.222 1.00 0.00 C ATOM 934 O MET A 61 -3.454 -0.750 -15.041 1.00 0.00 O ATOM 935 CB MET A 61 -5.468 -2.351 -15.862 1.00 0.00 C ATOM 936 CG MET A 61 -6.321 -1.091 -15.695 1.00 0.00 C ATOM 937 SD MET A 61 -6.357 -0.172 -17.224 1.00 0.00 S ATOM 938 CE MET A 61 -7.983 0.557 -17.108 1.00 0.00 C ATOM 0 H MET A 61 -5.817 -2.031 -12.881 1.00 0.00 H new ATOM 0 HA MET A 61 -4.230 -3.657 -14.665 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.732 -2.194 -16.651 1.00 0.00 H new ATOM 0 HB3 MET A 61 -6.099 -3.183 -16.175 1.00 0.00 H new ATOM 0 HG2 MET A 61 -7.335 -1.364 -15.401 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.914 -0.470 -14.897 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.309 0.878 -18.097 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.685 -0.179 -16.716 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.949 1.418 -16.440 1.00 0.00 H new ATOM 948 N PRO A 62 -3.175 -1.720 -12.983 1.00 0.00 N ATOM 949 CA PRO A 62 -2.183 -0.759 -12.530 1.00 0.00 C ATOM 950 C PRO A 62 -0.829 -1.015 -13.194 1.00 0.00 C ATOM 951 O PRO A 62 -0.412 -2.162 -13.342 1.00 0.00 O ATOM 952 CB PRO A 62 -2.144 -0.918 -11.019 1.00 0.00 C ATOM 953 CG PRO A 62 -2.767 -2.274 -10.726 1.00 0.00 C ATOM 954 CD PRO A 62 -3.475 -2.743 -11.986 1.00 0.00 C ATOM 0 HA PRO A 62 -2.434 0.266 -12.803 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.120 -0.870 -10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.699 -0.119 -10.528 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.001 -2.990 -10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.471 -2.200 -9.897 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.114 -3.722 -12.302 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.549 -2.836 -11.825 1.00 0.00 H new ATOM 962 N LYS A 63 -0.178 0.076 -13.575 1.00 0.00 N ATOM 963 CA LYS A 63 1.121 -0.016 -14.219 1.00 0.00 C ATOM 964 C LYS A 63 2.186 -0.329 -13.167 1.00 0.00 C ATOM 965 O LYS A 63 3.273 -0.800 -13.500 1.00 0.00 O ATOM 966 CB LYS A 63 1.408 1.251 -15.027 1.00 0.00 C ATOM 967 CG LYS A 63 0.573 1.287 -16.308 1.00 0.00 C ATOM 968 CD LYS A 63 0.875 0.076 -17.193 1.00 0.00 C ATOM 969 CE LYS A 63 0.522 0.363 -18.654 1.00 0.00 C ATOM 970 NZ LYS A 63 -0.584 -0.515 -19.101 1.00 0.00 N ATOM 0 H LYS A 63 -0.526 1.027 -13.450 1.00 0.00 H new ATOM 0 HA LYS A 63 1.133 -0.835 -14.938 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.189 2.130 -14.421 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.468 1.294 -15.278 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.487 1.302 -16.055 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.783 2.205 -16.857 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.931 -0.182 -17.114 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.309 -0.786 -16.841 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.233 1.408 -18.766 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.397 0.205 -19.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.812 -0.308 -20.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.295 -1.510 -19.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.423 -0.344 -18.511 1.00 0.00 H new ATOM 984 N MET A 64 1.837 -0.056 -11.918 1.00 0.00 N ATOM 985 CA MET A 64 2.751 -0.302 -10.816 1.00 0.00 C ATOM 986 C MET A 64 2.015 -0.916 -9.621 1.00 0.00 C ATOM 987 O MET A 64 1.630 -0.206 -8.694 1.00 0.00 O ATOM 988 CB MET A 64 3.406 1.013 -10.390 1.00 0.00 C ATOM 989 CG MET A 64 4.916 0.841 -10.214 1.00 0.00 C ATOM 990 SD MET A 64 5.717 0.807 -11.809 1.00 0.00 S ATOM 991 CE MET A 64 6.720 -0.658 -11.621 1.00 0.00 C ATOM 0 H MET A 64 0.934 0.333 -11.645 1.00 0.00 H new ATOM 0 HA MET A 64 3.513 -1.005 -11.152 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.209 1.781 -11.138 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.964 1.358 -9.455 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.316 1.659 -9.614 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.125 -0.082 -9.673 1.00 0.00 H new ATOM 0 HE1 MET A 64 7.291 -0.828 -12.534 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.405 -0.525 -10.784 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.077 -1.517 -11.430 1.00 0.00 H new ATOM 1001 N ASP A 65 1.843 -2.228 -9.685 1.00 0.00 N ATOM 1002 CA ASP A 65 1.160 -2.945 -8.621 1.00 0.00 C ATOM 1003 C ASP A 65 2.103 -3.088 -7.424 1.00 0.00 C ATOM 1004 O ASP A 65 3.277 -2.733 -7.507 1.00 0.00 O ATOM 1005 CB ASP A 65 0.755 -4.349 -9.075 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.123 -5.119 -8.087 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.778 -4.444 -7.264 1.00 0.00 O ATOM 1008 OD2 ASP A 65 -0.118 -6.366 -8.177 1.00 0.00 O ATOM 0 H ASP A 65 2.164 -2.813 -10.456 1.00 0.00 H new ATOM 0 HA ASP A 65 0.266 -2.382 -8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.224 -4.269 -10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.659 -4.929 -9.263 1.00 0.00 H new ATOM 1013 N GLY A 66 1.551 -3.611 -6.338 1.00 0.00 N ATOM 1014 CA GLY A 66 2.327 -3.807 -5.125 1.00 0.00 C ATOM 1015 C GLY A 66 3.785 -4.136 -5.454 1.00 0.00 C ATOM 1016 O GLY A 66 4.693 -3.399 -5.071 1.00 0.00 O ATOM 0 H GLY A 66 0.576 -3.905 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.283 -2.907 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.892 -4.615 -4.537 1.00 0.00 H new ATOM 1020 N LEU A 67 3.964 -5.243 -6.160 1.00 0.00 N ATOM 1021 CA LEU A 67 5.295 -5.678 -6.546 1.00 0.00 C ATOM 1022 C LEU A 67 5.979 -4.567 -7.344 1.00 0.00 C ATOM 1023 O LEU A 67 7.138 -4.239 -7.091 1.00 0.00 O ATOM 1024 CB LEU A 67 5.228 -7.015 -7.285 1.00 0.00 C ATOM 1025 CG LEU A 67 4.683 -8.200 -6.484 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.429 -9.489 -6.835 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.719 -7.907 -4.982 1.00 0.00 C ATOM 0 H LEU A 67 3.209 -5.852 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 67 5.908 -5.859 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.608 -6.886 -8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.231 -7.267 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 67 3.639 -8.348 -6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.022 -10.315 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.309 -9.701 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.488 -9.370 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.327 -8.764 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.747 -7.718 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.109 -7.029 -4.768 1.00 0.00 H new ATOM 1039 N GLY A 68 5.234 -4.018 -8.291 1.00 0.00 N ATOM 1040 CA GLY A 68 5.755 -2.950 -9.129 1.00 0.00 C ATOM 1041 C GLY A 68 6.327 -1.815 -8.277 1.00 0.00 C ATOM 1042 O GLY A 68 7.411 -1.308 -8.561 1.00 0.00 O ATOM 0 H GLY A 68 4.273 -4.292 -8.497 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.531 -3.344 -9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.961 -2.565 -9.769 1.00 0.00 H new ATOM 1046 N LEU A 69 5.574 -1.452 -7.250 1.00 0.00 N ATOM 1047 CA LEU A 69 5.993 -0.386 -6.355 1.00 0.00 C ATOM 1048 C LEU A 69 7.247 -0.828 -5.595 1.00 0.00 C ATOM 1049 O LEU A 69 8.149 -0.026 -5.359 1.00 0.00 O ATOM 1050 CB LEU A 69 4.839 0.035 -5.445 1.00 0.00 C ATOM 1051 CG LEU A 69 4.076 1.292 -5.867 1.00 0.00 C ATOM 1052 CD1 LEU A 69 4.581 2.520 -5.107 1.00 0.00 C ATOM 1053 CD2 LEU A 69 4.139 1.488 -7.382 1.00 0.00 C ATOM 0 H LEU A 69 4.676 -1.877 -7.017 1.00 0.00 H new ATOM 0 HA LEU A 69 6.261 0.505 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.131 -0.792 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.233 0.193 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 69 3.027 1.160 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.022 3.400 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.441 2.369 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.640 2.667 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.589 2.388 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.179 1.590 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.694 0.626 -7.879 1.00 0.00 H new ATOM 1065 N LEU A 70 7.261 -2.102 -5.232 1.00 0.00 N ATOM 1066 CA LEU A 70 8.388 -2.660 -4.504 1.00 0.00 C ATOM 1067 C LEU A 70 9.661 -2.494 -5.337 1.00 0.00 C ATOM 1068 O LEU A 70 10.698 -2.088 -4.816 1.00 0.00 O ATOM 1069 CB LEU A 70 8.101 -4.108 -4.100 1.00 0.00 C ATOM 1070 CG LEU A 70 9.287 -5.071 -4.173 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.433 -5.657 -5.579 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.574 -4.394 -3.698 1.00 0.00 C ATOM 0 H LEU A 70 6.510 -2.764 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 70 8.545 -2.118 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.718 -4.111 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.306 -4.492 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 70 9.092 -5.903 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.284 -6.338 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.526 -6.200 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.594 -4.851 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.401 -5.101 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.786 -3.531 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.453 -4.067 -2.665 1.00 0.00 H new ATOM 1084 N GLN A 71 9.539 -2.817 -6.616 1.00 0.00 N ATOM 1085 CA GLN A 71 10.667 -2.709 -7.526 1.00 0.00 C ATOM 1086 C GLN A 71 11.143 -1.258 -7.609 1.00 0.00 C ATOM 1087 O GLN A 71 12.340 -1.000 -7.730 1.00 0.00 O ATOM 1088 CB GLN A 71 10.307 -3.250 -8.911 1.00 0.00 C ATOM 1089 CG GLN A 71 10.203 -4.776 -8.894 1.00 0.00 C ATOM 1090 CD GLN A 71 10.342 -5.351 -10.306 1.00 0.00 C ATOM 1091 OE1 GLN A 71 11.423 -5.436 -10.866 1.00 0.00 O ATOM 1092 NE2 GLN A 71 9.191 -5.738 -10.848 1.00 0.00 N ATOM 0 H GLN A 71 8.676 -3.154 -7.044 1.00 0.00 H new ATOM 0 HA GLN A 71 11.484 -3.317 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.360 -2.821 -9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.063 -2.942 -9.633 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.980 -5.190 -8.251 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.245 -5.074 -8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.322 -5.639 -10.324 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.178 -6.134 -11.788 1.00 0.00 H new ATOM 1101 N ALA A 72 10.183 -0.348 -7.543 1.00 0.00 N ATOM 1102 CA ALA A 72 10.489 1.070 -7.610 1.00 0.00 C ATOM 1103 C ALA A 72 11.251 1.483 -6.349 1.00 0.00 C ATOM 1104 O ALA A 72 12.249 2.200 -6.428 1.00 0.00 O ATOM 1105 CB ALA A 72 9.195 1.865 -7.796 1.00 0.00 C ATOM 0 H ALA A 72 9.191 -0.566 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 72 11.128 1.284 -8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.426 2.929 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.707 1.555 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.529 1.678 -6.954 1.00 0.00 H new ATOM 1111 N VAL A 73 10.752 1.015 -5.215 1.00 0.00 N ATOM 1112 CA VAL A 73 11.372 1.327 -3.938 1.00 0.00 C ATOM 1113 C VAL A 73 12.842 0.904 -3.975 1.00 0.00 C ATOM 1114 O VAL A 73 13.700 1.580 -3.409 1.00 0.00 O ATOM 1115 CB VAL A 73 10.589 0.669 -2.801 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.082 0.783 -3.036 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.006 -0.793 -2.622 1.00 0.00 C ATOM 0 H VAL A 73 9.925 0.422 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 73 11.346 2.401 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 73 10.826 1.201 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.548 0.307 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.801 1.835 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.821 0.288 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.434 -1.237 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.812 -1.342 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.069 -0.842 -2.388 1.00 0.00 H new ATOM 1127 N ARG A 74 13.088 -0.212 -4.646 1.00 0.00 N ATOM 1128 CA ARG A 74 14.439 -0.732 -4.763 1.00 0.00 C ATOM 1129 C ARG A 74 15.346 0.294 -5.445 1.00 0.00 C ATOM 1130 O ARG A 74 16.567 0.239 -5.306 1.00 0.00 O ATOM 1131 CB ARG A 74 14.461 -2.034 -5.566 1.00 0.00 C ATOM 1132 CG ARG A 74 14.407 -3.250 -4.639 1.00 0.00 C ATOM 1133 CD ARG A 74 15.210 -4.416 -5.218 1.00 0.00 C ATOM 1134 NE ARG A 74 14.339 -5.259 -6.068 1.00 0.00 N ATOM 1135 CZ ARG A 74 14.782 -6.264 -6.836 1.00 0.00 C ATOM 1136 NH1 ARG A 74 16.089 -6.558 -6.865 1.00 0.00 N ATOM 1137 NH2 ARG A 74 13.918 -6.975 -7.573 1.00 0.00 N ATOM 0 H ARG A 74 12.374 -0.770 -5.114 1.00 0.00 H new ATOM 0 HA ARG A 74 14.804 -0.933 -3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.614 -2.057 -6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.365 -2.075 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.802 -2.983 -3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.371 -3.555 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 74 16.047 -4.036 -5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.632 -5.014 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 74 13.338 -5.062 -6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.746 -6.017 -6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.427 -7.323 -7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.923 -6.751 -7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.255 -7.740 -8.158 1.00 0.00 H new ATOM 1151 N ALA A 75 14.714 1.207 -6.168 1.00 0.00 N ATOM 1152 CA ALA A 75 15.448 2.244 -6.872 1.00 0.00 C ATOM 1153 C ALA A 75 15.406 3.537 -6.055 1.00 0.00 C ATOM 1154 O ALA A 75 16.287 4.386 -6.185 1.00 0.00 O ATOM 1155 CB ALA A 75 14.864 2.422 -8.275 1.00 0.00 C ATOM 0 H ALA A 75 13.701 1.250 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 75 16.494 1.961 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.415 3.200 -8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.945 1.484 -8.824 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.815 2.709 -8.199 1.00 0.00 H new ATOM 1161 N ASN A 76 14.374 3.647 -5.233 1.00 0.00 N ATOM 1162 CA ASN A 76 14.205 4.821 -4.395 1.00 0.00 C ATOM 1163 C ASN A 76 14.053 4.385 -2.937 1.00 0.00 C ATOM 1164 O ASN A 76 13.064 3.748 -2.576 1.00 0.00 O ATOM 1165 CB ASN A 76 12.950 5.603 -4.788 1.00 0.00 C ATOM 1166 CG ASN A 76 13.198 7.111 -4.715 1.00 0.00 C ATOM 1167 OD1 ASN A 76 14.320 7.577 -4.612 1.00 0.00 O ATOM 1168 ND2 ASN A 76 12.090 7.844 -4.774 1.00 0.00 N ATOM 0 H ASN A 76 13.645 2.941 -5.129 1.00 0.00 H new ATOM 0 HA ASN A 76 15.081 5.456 -4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.648 5.329 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.127 5.334 -4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.149 8.861 -4.733 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.181 7.389 -4.860 1.00 0.00 H new ATOM 1175 N PRO A 77 15.073 4.754 -2.117 1.00 0.00 N ATOM 1176 CA PRO A 77 15.062 4.407 -0.705 1.00 0.00 C ATOM 1177 C PRO A 77 14.077 5.287 0.067 1.00 0.00 C ATOM 1178 O PRO A 77 13.874 5.093 1.264 1.00 0.00 O ATOM 1179 CB PRO A 77 16.501 4.583 -0.246 1.00 0.00 C ATOM 1180 CG PRO A 77 17.168 5.461 -1.292 1.00 0.00 C ATOM 1181 CD PRO A 77 16.260 5.509 -2.510 1.00 0.00 C ATOM 0 HA PRO A 77 14.722 3.387 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.543 5.049 0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 77 17.006 3.620 -0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.333 6.464 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.145 5.059 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.007 6.536 -2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.742 5.065 -3.381 1.00 0.00 H new ATOM 1189 N ALA A 78 13.492 6.235 -0.649 1.00 0.00 N ATOM 1190 CA ALA A 78 12.532 7.145 -0.046 1.00 0.00 C ATOM 1191 C ALA A 78 11.227 6.394 0.228 1.00 0.00 C ATOM 1192 O ALA A 78 10.563 6.645 1.233 1.00 0.00 O ATOM 1193 CB ALA A 78 12.330 8.354 -0.962 1.00 0.00 C ATOM 0 H ALA A 78 13.664 6.393 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 78 12.903 7.519 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.610 9.037 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.281 8.869 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.955 8.019 -1.929 1.00 0.00 H new ATOM 1199 N THR A 79 10.900 5.491 -0.682 1.00 0.00 N ATOM 1200 CA THR A 79 9.686 4.702 -0.551 1.00 0.00 C ATOM 1201 C THR A 79 10.017 3.290 -0.068 1.00 0.00 C ATOM 1202 O THR A 79 9.144 2.424 -0.023 1.00 0.00 O ATOM 1203 CB THR A 79 8.957 4.730 -1.897 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.744 4.024 -1.648 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.664 3.891 -2.963 1.00 0.00 C ATOM 0 H THR A 79 11.454 5.287 -1.514 1.00 0.00 H new ATOM 0 HA THR A 79 9.021 5.121 0.204 1.00 0.00 H new ATOM 0 HB THR A 79 8.872 5.760 -2.243 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.997 4.657 -1.621 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.106 3.945 -3.898 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.672 4.275 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.719 2.854 -2.633 1.00 0.00 H new ATOM 1213 N LYS A 80 11.281 3.098 0.280 1.00 0.00 N ATOM 1214 CA LYS A 80 11.739 1.804 0.758 1.00 0.00 C ATOM 1215 C LYS A 80 11.186 1.560 2.163 1.00 0.00 C ATOM 1216 O LYS A 80 11.263 0.447 2.680 1.00 0.00 O ATOM 1217 CB LYS A 80 13.263 1.710 0.672 1.00 0.00 C ATOM 1218 CG LYS A 80 13.927 2.528 1.781 1.00 0.00 C ATOM 1219 CD LYS A 80 14.433 1.622 2.905 1.00 0.00 C ATOM 1220 CE LYS A 80 15.937 1.376 2.776 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.696 2.572 3.205 1.00 0.00 N ATOM 0 H LYS A 80 12.003 3.817 0.240 1.00 0.00 H new ATOM 0 HA LYS A 80 11.357 1.006 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.571 0.667 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.599 2.070 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.758 3.099 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.214 3.248 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.217 2.079 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.902 0.671 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.225 0.518 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.184 1.132 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.699 2.323 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.606 3.317 2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.317 2.918 4.110 1.00 0.00 H new ATOM 1235 N LYS A 81 10.641 2.620 2.742 1.00 0.00 N ATOM 1236 CA LYS A 81 10.076 2.535 4.079 1.00 0.00 C ATOM 1237 C LYS A 81 8.550 2.591 3.987 1.00 0.00 C ATOM 1238 O LYS A 81 7.866 2.691 5.004 1.00 0.00 O ATOM 1239 CB LYS A 81 10.677 3.612 4.985 1.00 0.00 C ATOM 1240 CG LYS A 81 10.297 5.012 4.498 1.00 0.00 C ATOM 1241 CD LYS A 81 11.544 5.861 4.245 1.00 0.00 C ATOM 1242 CE LYS A 81 11.359 7.281 4.785 1.00 0.00 C ATOM 1243 NZ LYS A 81 12.598 7.750 5.444 1.00 0.00 N ATOM 0 H LYS A 81 10.578 3.542 2.310 1.00 0.00 H new ATOM 0 HA LYS A 81 10.334 1.582 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.325 3.471 6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.762 3.512 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.712 4.936 3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.665 5.500 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.407 5.397 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.752 5.899 3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.096 7.955 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.532 7.302 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.559 8.783 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.687 7.298 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.419 7.499 4.858 1.00 0.00 H new ATOM 1257 N ALA A 82 8.060 2.523 2.757 1.00 0.00 N ATOM 1258 CA ALA A 82 6.627 2.565 2.519 1.00 0.00 C ATOM 1259 C ALA A 82 6.104 1.140 2.329 1.00 0.00 C ATOM 1260 O ALA A 82 6.630 0.386 1.510 1.00 0.00 O ATOM 1261 CB ALA A 82 6.336 3.459 1.312 1.00 0.00 C ATOM 0 H ALA A 82 8.630 2.439 1.915 1.00 0.00 H new ATOM 0 HA ALA A 82 6.108 2.995 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.261 3.491 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.701 4.467 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.838 3.057 0.432 1.00 0.00 H new ATOM 1267 N ALA A 83 5.078 0.813 3.099 1.00 0.00 N ATOM 1268 CA ALA A 83 4.479 -0.510 3.025 1.00 0.00 C ATOM 1269 C ALA A 83 3.362 -0.501 1.980 1.00 0.00 C ATOM 1270 O ALA A 83 2.407 0.266 2.092 1.00 0.00 O ATOM 1271 CB ALA A 83 3.976 -0.920 4.411 1.00 0.00 C ATOM 0 H ALA A 83 4.645 1.440 3.777 1.00 0.00 H new ATOM 0 HA ALA A 83 5.217 -1.249 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.527 -1.912 4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.812 -0.938 5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.231 -0.203 4.755 1.00 0.00 H new ATOM 1277 N PHE A 84 3.520 -1.363 0.986 1.00 0.00 N ATOM 1278 CA PHE A 84 2.537 -1.465 -0.080 1.00 0.00 C ATOM 1279 C PHE A 84 1.568 -2.621 0.177 1.00 0.00 C ATOM 1280 O PHE A 84 1.947 -3.638 0.753 1.00 0.00 O ATOM 1281 CB PHE A 84 3.307 -1.738 -1.373 1.00 0.00 C ATOM 1282 CG PHE A 84 4.828 -1.693 -1.214 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.456 -0.502 -1.026 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.551 -2.844 -1.261 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.868 -0.459 -0.878 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.964 -2.801 -1.113 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.591 -1.609 -0.925 1.00 0.00 C ATOM 0 H PHE A 84 4.314 -1.997 0.896 1.00 0.00 H new ATOM 0 HA PHE A 84 1.955 -0.545 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.021 -2.718 -1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.009 -1.005 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.881 0.412 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.052 -3.790 -1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.367 0.487 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.539 -3.714 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.665 -1.576 -0.813 1.00 0.00 H new ATOM 1297 N ILE A 85 0.333 -2.423 -0.264 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.693 -3.437 -0.089 1.00 0.00 C ATOM 1299 C ILE A 85 -1.187 -3.899 -1.462 1.00 0.00 C ATOM 1300 O ILE A 85 -1.427 -3.079 -2.347 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.808 -2.918 0.822 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.642 -3.450 2.247 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.186 -3.246 0.245 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -2.993 -3.543 2.958 1.00 0.00 C ATOM 0 H ILE A 85 0.021 -1.577 -0.741 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.282 -4.312 0.414 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.731 -1.832 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.173 -4.434 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.976 -2.795 2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.960 -2.866 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.291 -2.780 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.291 -4.326 0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.847 -3.924 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.448 -2.554 3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.648 -4.218 2.407 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.325 -5.209 -1.595 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.785 -5.790 -2.845 1.00 0.00 C ATOM 1318 C ILE A 86 -2.885 -6.813 -2.552 1.00 0.00 C ATOM 1319 O ILE A 86 -2.622 -7.864 -1.972 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.607 -6.364 -3.636 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.081 -6.984 -4.952 1.00 0.00 C ATOM 1322 CG2 ILE A 86 0.190 -7.357 -2.788 1.00 0.00 C ATOM 1323 CD1 ILE A 86 0.046 -7.772 -5.623 1.00 0.00 C ATOM 0 H ILE A 86 -1.126 -5.885 -0.858 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.223 -5.022 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 86 0.066 -5.545 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.928 -7.643 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.431 -6.199 -5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.021 -7.750 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.576 -6.852 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.459 -8.178 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.317 -8.203 -6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.882 -7.105 -5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.377 -8.571 -4.959 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.096 -6.468 -2.968 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.237 -7.342 -2.758 1.00 0.00 C ATOM 1337 C LEU A 87 -5.447 -8.206 -4.003 1.00 0.00 C ATOM 1338 O LEU A 87 -5.510 -7.690 -5.117 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.469 -6.528 -2.358 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.600 -6.474 -3.387 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.127 -5.820 -4.687 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.190 -7.865 -3.626 1.00 0.00 C ATOM 0 H LEU A 87 -4.311 -5.595 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.050 -8.021 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.867 -6.941 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.152 -5.508 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.399 -5.851 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.950 -5.794 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.792 -4.803 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.302 -6.396 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.992 -7.799 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.412 -8.532 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.588 -8.257 -2.690 1.00 0.00 H new ATOM 1354 N THR A 88 -5.551 -9.506 -3.771 1.00 0.00 N ATOM 1355 CA THR A 88 -5.754 -10.447 -4.860 1.00 0.00 C ATOM 1356 C THR A 88 -6.542 -11.664 -4.373 1.00 0.00 C ATOM 1357 O THR A 88 -6.630 -11.912 -3.172 1.00 0.00 O ATOM 1358 CB THR A 88 -4.383 -10.803 -5.438 1.00 0.00 C ATOM 1359 OG1 THR A 88 -3.922 -11.867 -4.611 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.351 -9.694 -5.226 1.00 0.00 C ATOM 0 H THR A 88 -5.499 -9.930 -2.845 1.00 0.00 H new ATOM 0 HA THR A 88 -6.355 -10.007 -5.656 1.00 0.00 H new ATOM 0 HB THR A 88 -4.482 -11.008 -6.504 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.949 -11.948 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.396 -9.998 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.693 -8.781 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.227 -9.511 -4.159 1.00 0.00 H new ATOM 1368 N ALA A 89 -7.097 -12.392 -5.332 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.876 -13.577 -5.016 1.00 0.00 C ATOM 1370 C ALA A 89 -6.928 -14.738 -4.711 1.00 0.00 C ATOM 1371 O ALA A 89 -7.201 -15.880 -5.079 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.825 -13.888 -6.175 1.00 0.00 C ATOM 0 H ALA A 89 -7.022 -12.184 -6.328 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.488 -13.409 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.410 -14.777 -5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.496 -13.044 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.246 -14.065 -7.082 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.833 -14.407 -4.043 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.844 -15.409 -3.685 1.00 0.00 C ATOM 1380 C GLN A 90 -4.584 -15.383 -2.177 1.00 0.00 C ATOM 1381 O GLN A 90 -4.781 -16.385 -1.493 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.546 -15.202 -4.468 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.693 -15.688 -5.911 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.771 -14.507 -6.882 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -2.805 -13.802 -7.120 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -4.972 -14.333 -7.426 1.00 0.00 N ATOM 0 H GLN A 90 -5.609 -13.459 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.237 -16.390 -3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.278 -14.146 -4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.733 -15.740 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.847 -16.323 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.591 -16.299 -6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.738 -14.961 -7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.127 -13.572 -8.087 1.00 0.00 H new ATOM 1395 N GLY A 91 -4.146 -14.226 -1.704 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.857 -14.057 -0.290 1.00 0.00 C ATOM 1397 C GLY A 91 -3.003 -15.211 0.237 1.00 0.00 C ATOM 1398 O GLY A 91 -3.491 -16.060 0.982 1.00 0.00 O ATOM 0 H GLY A 91 -3.984 -13.396 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.336 -13.113 -0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.790 -14.004 0.272 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.742 -15.206 -0.169 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.815 -16.242 0.252 1.00 0.00 C ATOM 1404 C ASP A 92 0.407 -15.593 0.905 1.00 0.00 C ATOM 1405 O ASP A 92 1.151 -14.864 0.250 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.331 -17.068 -0.940 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.718 -18.548 -0.903 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.520 -18.902 -0.012 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -0.203 -19.291 -1.766 1.00 0.00 O ATOM 0 H ASP A 92 -1.340 -14.500 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.336 -16.894 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.729 -16.627 -1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.755 -16.994 -0.997 1.00 0.00 H new ATOM 1414 N ARG A 93 0.577 -15.881 2.187 1.00 0.00 N ATOM 1415 CA ARG A 93 1.696 -15.334 2.935 1.00 0.00 C ATOM 1416 C ARG A 93 3.017 -15.684 2.245 1.00 0.00 C ATOM 1417 O ARG A 93 4.015 -14.986 2.419 1.00 0.00 O ATOM 1418 CB ARG A 93 1.717 -15.873 4.367 1.00 0.00 C ATOM 1419 CG ARG A 93 1.797 -17.401 4.376 1.00 0.00 C ATOM 1420 CD ARG A 93 1.786 -17.942 5.807 1.00 0.00 C ATOM 1421 NE ARG A 93 2.687 -19.112 5.914 1.00 0.00 N ATOM 1422 CZ ARG A 93 2.911 -19.786 7.050 1.00 0.00 C ATOM 1423 NH1 ARG A 93 2.304 -19.410 8.183 1.00 0.00 N ATOM 1424 NH2 ARG A 93 3.744 -20.835 7.052 1.00 0.00 N ATOM 0 H ARG A 93 -0.042 -16.486 2.727 1.00 0.00 H new ATOM 0 HA ARG A 93 1.576 -14.251 2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.570 -15.457 4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.820 -15.549 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.956 -17.816 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.706 -17.724 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.103 -17.164 6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.772 -18.226 6.089 1.00 0.00 H new ATOM 0 HE ARG A 93 3.167 -19.424 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.671 -18.610 8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.475 -19.923 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.207 -21.120 6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.915 -21.349 7.916 1.00 0.00 H new ATOM 1438 N ALA A 94 2.980 -16.764 1.479 1.00 0.00 N ATOM 1439 CA ALA A 94 4.161 -17.214 0.764 1.00 0.00 C ATOM 1440 C ALA A 94 4.608 -16.122 -0.211 1.00 0.00 C ATOM 1441 O ALA A 94 5.784 -15.764 -0.249 1.00 0.00 O ATOM 1442 CB ALA A 94 3.857 -18.537 0.058 1.00 0.00 C ATOM 0 H ALA A 94 2.150 -17.340 1.338 1.00 0.00 H new ATOM 0 HA ALA A 94 4.983 -17.395 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.743 -18.875 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.572 -19.286 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.038 -18.393 -0.647 1.00 0.00 H new ATOM 1448 N LEU A 95 3.647 -15.626 -0.976 1.00 0.00 N ATOM 1449 CA LEU A 95 3.927 -14.583 -1.948 1.00 0.00 C ATOM 1450 C LEU A 95 4.307 -13.296 -1.214 1.00 0.00 C ATOM 1451 O LEU A 95 5.160 -12.542 -1.677 1.00 0.00 O ATOM 1452 CB LEU A 95 2.749 -14.417 -2.910 1.00 0.00 C ATOM 1453 CG LEU A 95 2.739 -15.348 -4.125 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.668 -16.430 -3.978 1.00 0.00 C ATOM 1455 CD2 LEU A 95 2.578 -14.553 -5.423 1.00 0.00 C ATOM 0 H LEU A 95 2.673 -15.927 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 95 4.779 -14.860 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.825 -14.570 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.739 -13.387 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 95 3.703 -15.855 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.682 -17.078 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.870 -17.023 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.688 -15.962 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.574 -15.238 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.638 -14.001 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.407 -13.853 -5.526 1.00 0.00 H new ATOM 1467 N VAL A 96 3.655 -13.085 -0.080 1.00 0.00 N ATOM 1468 CA VAL A 96 3.914 -11.903 0.724 1.00 0.00 C ATOM 1469 C VAL A 96 5.375 -11.911 1.181 1.00 0.00 C ATOM 1470 O VAL A 96 6.069 -10.902 1.068 1.00 0.00 O ATOM 1471 CB VAL A 96 2.924 -11.834 1.889 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.137 -10.564 2.714 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.482 -11.928 1.387 1.00 0.00 C ATOM 0 H VAL A 96 2.947 -13.713 0.301 1.00 0.00 H new ATOM 0 HA VAL A 96 3.763 -11.000 0.133 1.00 0.00 H new ATOM 0 HB VAL A 96 3.109 -12.689 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.421 -10.539 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.150 -10.557 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.992 -9.689 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.798 -11.877 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.279 -11.101 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.340 -12.873 0.863 1.00 0.00 H new ATOM 1483 N GLN A 97 5.797 -13.061 1.686 1.00 0.00 N ATOM 1484 CA GLN A 97 7.162 -13.214 2.159 1.00 0.00 C ATOM 1485 C GLN A 97 8.133 -13.247 0.978 1.00 0.00 C ATOM 1486 O GLN A 97 9.281 -12.821 1.102 1.00 0.00 O ATOM 1487 CB GLN A 97 7.305 -14.469 3.023 1.00 0.00 C ATOM 1488 CG GLN A 97 7.909 -14.131 4.388 1.00 0.00 C ATOM 1489 CD GLN A 97 9.094 -15.044 4.704 1.00 0.00 C ATOM 1490 OE1 GLN A 97 8.950 -16.233 4.937 1.00 0.00 O ATOM 1491 NE2 GLN A 97 10.271 -14.424 4.701 1.00 0.00 N ATOM 0 H GLN A 97 5.218 -13.895 1.778 1.00 0.00 H new ATOM 0 HA GLN A 97 7.409 -12.354 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.329 -14.934 3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 97 7.936 -15.196 2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.234 -13.091 4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.149 -14.235 5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.321 -13.426 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.123 -14.947 4.902 1.00 0.00 H new ATOM 1500 N LYS A 98 7.638 -13.756 -0.140 1.00 0.00 N ATOM 1501 CA LYS A 98 8.448 -13.850 -1.342 1.00 0.00 C ATOM 1502 C LYS A 98 8.856 -12.445 -1.788 1.00 0.00 C ATOM 1503 O LYS A 98 10.043 -12.159 -1.940 1.00 0.00 O ATOM 1504 CB LYS A 98 7.714 -14.648 -2.422 1.00 0.00 C ATOM 1505 CG LYS A 98 8.697 -15.216 -3.447 1.00 0.00 C ATOM 1506 CD LYS A 98 7.957 -15.955 -4.566 1.00 0.00 C ATOM 1507 CE LYS A 98 7.668 -17.403 -4.166 1.00 0.00 C ATOM 1508 NZ LYS A 98 7.915 -18.314 -5.306 1.00 0.00 N ATOM 0 H LYS A 98 6.686 -14.108 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 98 9.367 -14.401 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.154 -15.461 -1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.990 -14.007 -2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.292 -14.408 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.390 -15.897 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.022 -15.442 -4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.556 -15.938 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.298 -17.686 -3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.633 -17.496 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.714 -19.293 -5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.296 -18.053 -6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.909 -18.237 -5.603 1.00 0.00 H new ATOM 1522 N ALA A 99 7.851 -11.605 -1.983 1.00 0.00 N ATOM 1523 CA ALA A 99 8.091 -10.236 -2.408 1.00 0.00 C ATOM 1524 C ALA A 99 8.669 -9.438 -1.238 1.00 0.00 C ATOM 1525 O ALA A 99 9.675 -8.746 -1.390 1.00 0.00 O ATOM 1526 CB ALA A 99 6.791 -9.632 -2.942 1.00 0.00 C ATOM 0 H ALA A 99 6.868 -11.846 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 99 8.820 -10.207 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.971 -8.605 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.439 -10.219 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.036 -9.641 -2.156 1.00 0.00 H new ATOM 1532 N ALA A 100 8.007 -9.558 -0.098 1.00 0.00 N ATOM 1533 CA ALA A 100 8.443 -8.856 1.098 1.00 0.00 C ATOM 1534 C ALA A 100 9.919 -9.165 1.357 1.00 0.00 C ATOM 1535 O ALA A 100 10.631 -8.355 1.947 1.00 0.00 O ATOM 1536 CB ALA A 100 7.549 -9.250 2.275 1.00 0.00 C ATOM 0 H ALA A 100 7.172 -10.131 0.024 1.00 0.00 H new ATOM 0 HA ALA A 100 8.351 -7.778 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.876 -8.724 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.516 -8.982 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.617 -10.325 2.440 1.00 0.00 H new ATOM 1542 N ALA A 101 10.332 -10.340 0.904 1.00 0.00 N ATOM 1543 CA ALA A 101 11.710 -10.766 1.079 1.00 0.00 C ATOM 1544 C ALA A 101 12.505 -10.439 -0.186 1.00 0.00 C ATOM 1545 O ALA A 101 13.733 -10.363 -0.150 1.00 0.00 O ATOM 1546 CB ALA A 101 11.743 -12.257 1.421 1.00 0.00 C ATOM 0 H ALA A 101 9.737 -11.010 0.416 1.00 0.00 H new ATOM 0 HA ALA A 101 12.176 -10.231 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.777 -12.577 1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.189 -12.431 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.287 -12.826 0.611 1.00 0.00 H new ATOM 1552 N LEU A 102 11.774 -10.256 -1.275 1.00 0.00 N ATOM 1553 CA LEU A 102 12.396 -9.939 -2.550 1.00 0.00 C ATOM 1554 C LEU A 102 13.042 -8.555 -2.467 1.00 0.00 C ATOM 1555 O LEU A 102 13.943 -8.240 -3.243 1.00 0.00 O ATOM 1556 CB LEU A 102 11.384 -10.079 -3.689 1.00 0.00 C ATOM 1557 CG LEU A 102 11.971 -10.305 -5.084 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.907 -9.161 -5.476 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.663 -11.668 -5.174 1.00 0.00 C ATOM 0 H LEU A 102 10.756 -10.321 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 102 13.192 -10.649 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.719 -10.911 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.771 -9.178 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 102 11.151 -10.312 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.311 -9.346 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.353 -8.222 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.725 -9.098 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.071 -11.803 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.471 -11.715 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.940 -12.457 -4.967 1.00 0.00 H new ATOM 1571 N GLY A 103 12.555 -7.765 -1.521 1.00 0.00 N ATOM 1572 CA GLY A 103 13.074 -6.422 -1.327 1.00 0.00 C ATOM 1573 C GLY A 103 11.972 -5.472 -0.853 1.00 0.00 C ATOM 1574 O GLY A 103 12.257 -4.382 -0.360 1.00 0.00 O ATOM 0 H GLY A 103 11.806 -8.030 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.881 -6.442 -0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.500 -6.054 -2.261 1.00 0.00 H new ATOM 1578 N ALA A 104 10.736 -5.920 -1.019 1.00 0.00 N ATOM 1579 CA ALA A 104 9.591 -5.124 -0.614 1.00 0.00 C ATOM 1580 C ALA A 104 9.765 -4.693 0.845 1.00 0.00 C ATOM 1581 O ALA A 104 10.330 -5.430 1.650 1.00 0.00 O ATOM 1582 CB ALA A 104 8.307 -5.926 -0.835 1.00 0.00 C ATOM 0 H ALA A 104 10.503 -6.825 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 104 9.519 -4.220 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.448 -5.328 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.215 -6.183 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.342 -6.839 -0.241 1.00 0.00 H new ATOM 1588 N ASN A 105 9.267 -3.500 1.139 1.00 0.00 N ATOM 1589 CA ASN A 105 9.361 -2.962 2.484 1.00 0.00 C ATOM 1590 C ASN A 105 8.328 -3.652 3.378 1.00 0.00 C ATOM 1591 O ASN A 105 8.616 -3.979 4.528 1.00 0.00 O ATOM 1592 CB ASN A 105 9.071 -1.461 2.499 1.00 0.00 C ATOM 1593 CG ASN A 105 9.190 -0.892 3.914 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.270 -0.742 4.462 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.024 -0.586 4.475 1.00 0.00 N ATOM 0 H ASN A 105 8.797 -2.892 0.468 1.00 0.00 H new ATOM 0 HA ASN A 105 10.374 -3.137 2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.767 -0.946 1.837 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.068 -1.277 2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.998 -0.201 5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.156 -0.736 3.961 1.00 0.00 H new ATOM 1602 N ASN A 106 7.145 -3.851 2.814 1.00 0.00 N ATOM 1603 CA ASN A 106 6.068 -4.497 3.545 1.00 0.00 C ATOM 1604 C ASN A 106 4.921 -4.810 2.582 1.00 0.00 C ATOM 1605 O ASN A 106 4.438 -3.927 1.877 1.00 0.00 O ATOM 1606 CB ASN A 106 5.523 -3.582 4.645 1.00 0.00 C ATOM 1607 CG ASN A 106 6.068 -3.990 6.016 1.00 0.00 C ATOM 1608 OD1 ASN A 106 6.723 -5.006 6.175 1.00 0.00 O ATOM 1609 ND2 ASN A 106 5.758 -3.144 6.994 1.00 0.00 N ATOM 0 H ASN A 106 6.909 -3.576 1.860 1.00 0.00 H new ATOM 0 HA ASN A 106 6.464 -5.407 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.798 -2.549 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.434 -3.627 4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.073 -3.328 7.947 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.206 -2.311 6.792 1.00 0.00 H new ATOM 1616 N VAL A 107 4.519 -6.074 2.583 1.00 0.00 N ATOM 1617 CA VAL A 107 3.438 -6.515 1.719 1.00 0.00 C ATOM 1618 C VAL A 107 2.239 -6.925 2.577 1.00 0.00 C ATOM 1619 O VAL A 107 2.324 -7.870 3.358 1.00 0.00 O ATOM 1620 CB VAL A 107 3.927 -7.639 0.802 1.00 0.00 C ATOM 1621 CG1 VAL A 107 3.017 -7.786 -0.419 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.380 -7.406 0.377 1.00 0.00 C ATOM 0 H VAL A 107 4.923 -6.805 3.168 1.00 0.00 H new ATOM 0 HA VAL A 107 3.112 -5.702 1.071 1.00 0.00 H new ATOM 0 HB VAL A 107 3.886 -8.572 1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.387 -8.591 -1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.004 -8.018 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.011 -6.853 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.703 -8.218 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.455 -6.460 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.017 -7.374 1.261 1.00 0.00 H new ATOM 1632 N LEU A 108 1.149 -6.192 2.401 1.00 0.00 N ATOM 1633 CA LEU A 108 -0.065 -6.466 3.150 1.00 0.00 C ATOM 1634 C LEU A 108 -1.201 -6.780 2.173 1.00 0.00 C ATOM 1635 O LEU A 108 -1.131 -6.423 0.999 1.00 0.00 O ATOM 1636 CB LEU A 108 -0.378 -5.313 4.106 1.00 0.00 C ATOM 1637 CG LEU A 108 0.027 -5.526 5.566 1.00 0.00 C ATOM 1638 CD1 LEU A 108 1.338 -6.306 5.665 1.00 0.00 C ATOM 1639 CD2 LEU A 108 0.095 -4.194 6.315 1.00 0.00 C ATOM 0 H LEU A 108 1.082 -5.409 1.751 1.00 0.00 H new ATOM 0 HA LEU A 108 0.067 -7.345 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.121 -4.416 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.450 -5.119 4.071 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.742 -6.129 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.602 -6.443 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.218 -7.280 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.130 -5.752 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.385 -4.373 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.831 -3.546 5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.882 -3.712 6.290 1.00 0.00 H new ATOM 1651 N ALA A 109 -2.220 -7.445 2.696 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.370 -7.811 1.884 1.00 0.00 C ATOM 1653 C ALA A 109 -4.588 -7.007 2.343 1.00 0.00 C ATOM 1654 O ALA A 109 -4.663 -6.589 3.498 1.00 0.00 O ATOM 1655 CB ALA A 109 -3.599 -9.321 1.975 1.00 0.00 C ATOM 0 H ALA A 109 -2.274 -7.740 3.671 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.193 -7.571 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.461 -9.596 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.716 -9.846 1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.784 -9.599 3.013 1.00 0.00 H new ATOM 1661 N LYS A 110 -5.515 -6.817 1.416 1.00 0.00 N ATOM 1662 CA LYS A 110 -6.728 -6.071 1.711 1.00 0.00 C ATOM 1663 C LYS A 110 -7.931 -7.012 1.628 1.00 0.00 C ATOM 1664 O LYS A 110 -8.695 -6.966 0.665 1.00 0.00 O ATOM 1665 CB LYS A 110 -6.838 -4.848 0.799 1.00 0.00 C ATOM 1666 CG LYS A 110 -8.263 -4.288 0.805 1.00 0.00 C ATOM 1667 CD LYS A 110 -8.979 -4.594 -0.512 1.00 0.00 C ATOM 1668 CE LYS A 110 -8.940 -3.386 -1.450 1.00 0.00 C ATOM 1669 NZ LYS A 110 -9.469 -3.749 -2.785 1.00 0.00 N ATOM 0 H LYS A 110 -5.451 -7.166 0.460 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.699 -5.679 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.140 -4.079 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.554 -5.121 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.823 -4.718 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.233 -3.210 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.508 -5.450 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -10.014 -4.870 -0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.529 -2.571 -1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.916 -3.024 -1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.052 -2.970 -3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.677 -3.924 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.050 -4.608 -2.706 1.00 0.00 H new ATOM 1683 N PRO A 111 -8.067 -7.865 2.679 1.00 0.00 N ATOM 1684 CA PRO A 111 -9.165 -8.814 2.735 1.00 0.00 C ATOM 1685 C PRO A 111 -10.479 -8.114 3.089 1.00 0.00 C ATOM 1686 O PRO A 111 -10.471 -7.031 3.674 1.00 0.00 O ATOM 1687 CB PRO A 111 -8.743 -9.845 3.770 1.00 0.00 C ATOM 1688 CG PRO A 111 -7.643 -9.186 4.587 1.00 0.00 C ATOM 1689 CD PRO A 111 -7.182 -7.948 3.837 1.00 0.00 C ATOM 0 HA PRO A 111 -9.357 -9.290 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.583 -10.130 4.403 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.382 -10.755 3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -8.012 -8.917 5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.811 -9.875 4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.259 -7.056 4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.139 -8.035 3.533 1.00 0.00 H new ATOM 1697 N PHE A 112 -11.575 -8.760 2.722 1.00 0.00 N ATOM 1698 CA PHE A 112 -12.893 -8.212 2.994 1.00 0.00 C ATOM 1699 C PHE A 112 -13.218 -8.282 4.487 1.00 0.00 C ATOM 1700 O PHE A 112 -14.146 -7.624 4.955 1.00 0.00 O ATOM 1701 CB PHE A 112 -13.901 -9.069 2.225 1.00 0.00 C ATOM 1702 CG PHE A 112 -15.356 -8.637 2.413 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -16.009 -8.932 3.569 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -15.998 -7.959 1.424 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -17.360 -8.531 3.744 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -17.349 -7.559 1.598 1.00 0.00 C ATOM 1707 CZ PHE A 112 -18.002 -7.853 2.755 1.00 0.00 C ATOM 0 H PHE A 112 -11.578 -9.658 2.238 1.00 0.00 H new ATOM 0 HA PHE A 112 -12.931 -7.166 2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -13.657 -9.034 1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -13.797 -10.107 2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -15.500 -9.471 4.354 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -15.480 -7.725 0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -17.878 -8.764 4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -17.858 -7.021 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 112 -19.030 -7.548 2.888 1.00 0.00 H new ATOM 1717 N THR A 113 -12.435 -9.083 5.195 1.00 0.00 N ATOM 1718 CA THR A 113 -12.628 -9.247 6.625 1.00 0.00 C ATOM 1719 C THR A 113 -11.808 -8.210 7.396 1.00 0.00 C ATOM 1720 O THR A 113 -10.681 -7.897 7.015 1.00 0.00 O ATOM 1721 CB THR A 113 -12.275 -10.691 6.987 1.00 0.00 C ATOM 1722 OG1 THR A 113 -12.533 -11.421 5.792 1.00 0.00 O ATOM 1723 CG2 THR A 113 -13.245 -11.291 8.008 1.00 0.00 C ATOM 0 H THR A 113 -11.665 -9.626 4.804 1.00 0.00 H new ATOM 0 HA THR A 113 -13.666 -9.070 6.907 1.00 0.00 H new ATOM 0 HB THR A 113 -11.260 -10.729 7.384 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.329 -12.368 5.937 1.00 0.00 H new ATOM 0 HG21 THR A 113 -12.950 -12.317 8.231 1.00 0.00 H new ATOM 0 HG22 THR A 113 -13.221 -10.700 8.923 1.00 0.00 H new ATOM 0 HG23 THR A 113 -14.255 -11.285 7.598 1.00 0.00 H new ATOM 1731 N ILE A 114 -12.407 -7.704 8.464 1.00 0.00 N ATOM 1732 CA ILE A 114 -11.747 -6.709 9.291 1.00 0.00 C ATOM 1733 C ILE A 114 -10.637 -7.380 10.102 1.00 0.00 C ATOM 1734 O ILE A 114 -9.654 -6.738 10.468 1.00 0.00 O ATOM 1735 CB ILE A 114 -12.770 -5.960 10.149 1.00 0.00 C ATOM 1736 CG1 ILE A 114 -13.730 -6.936 10.831 1.00 0.00 C ATOM 1737 CG2 ILE A 114 -13.512 -4.908 9.323 1.00 0.00 C ATOM 1738 CD1 ILE A 114 -14.313 -6.328 12.108 1.00 0.00 C ATOM 0 H ILE A 114 -13.343 -7.965 8.775 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.273 -5.951 8.668 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.235 -5.431 10.937 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -14.537 -7.196 10.146 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.205 -7.861 11.071 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -14.233 -4.390 9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -12.797 -4.189 8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -14.036 -5.394 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -14.992 -7.042 12.574 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.505 -6.091 12.800 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -14.858 -5.417 11.861 1.00 0.00 H new ATOM 1750 N GLU A 115 -10.832 -8.665 10.361 1.00 0.00 N ATOM 1751 CA GLU A 115 -9.860 -9.431 11.122 1.00 0.00 C ATOM 1752 C GLU A 115 -8.549 -9.549 10.343 1.00 0.00 C ATOM 1753 O GLU A 115 -7.473 -9.325 10.895 1.00 0.00 O ATOM 1754 CB GLU A 115 -10.411 -10.813 11.482 1.00 0.00 C ATOM 1755 CG GLU A 115 -10.260 -11.091 12.979 1.00 0.00 C ATOM 1756 CD GLU A 115 -10.145 -12.593 13.248 1.00 0.00 C ATOM 1757 OE1 GLU A 115 -9.074 -13.149 12.919 1.00 0.00 O ATOM 1758 OE2 GLU A 115 -11.130 -13.152 13.777 1.00 0.00 O ATOM 0 H GLU A 115 -11.649 -9.195 10.057 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.659 -8.902 12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.463 -10.873 11.202 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.885 -11.578 10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.375 -10.581 13.360 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.118 -10.686 13.516 1.00 0.00 H new ATOM 1765 N LYS A 116 -8.683 -9.900 9.072 1.00 0.00 N ATOM 1766 CA LYS A 116 -7.522 -10.050 8.212 1.00 0.00 C ATOM 1767 C LYS A 116 -6.980 -8.666 7.846 1.00 0.00 C ATOM 1768 O LYS A 116 -5.770 -8.444 7.863 1.00 0.00 O ATOM 1769 CB LYS A 116 -7.863 -10.917 6.999 1.00 0.00 C ATOM 1770 CG LYS A 116 -8.212 -12.344 7.425 1.00 0.00 C ATOM 1771 CD LYS A 116 -7.417 -13.369 6.614 1.00 0.00 C ATOM 1772 CE LYS A 116 -8.287 -14.001 5.525 1.00 0.00 C ATOM 1773 NZ LYS A 116 -7.578 -13.992 4.226 1.00 0.00 N ATOM 0 H LYS A 116 -9.577 -10.085 8.618 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.725 -10.576 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.703 -10.479 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -7.017 -10.936 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.001 -12.472 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.280 -12.517 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -6.552 -12.886 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.036 -14.146 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.539 -15.025 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -9.226 -13.454 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.182 -14.424 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -7.359 -13.012 3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.694 -14.534 4.309 1.00 0.00 H new ATOM 1787 N MET A 117 -7.903 -7.772 7.525 1.00 0.00 N ATOM 1788 CA MET A 117 -7.534 -6.416 7.155 1.00 0.00 C ATOM 1789 C MET A 117 -6.906 -5.677 8.340 1.00 0.00 C ATOM 1790 O MET A 117 -5.918 -4.963 8.177 1.00 0.00 O ATOM 1791 CB MET A 117 -8.777 -5.658 6.683 1.00 0.00 C ATOM 1792 CG MET A 117 -8.389 -4.424 5.866 1.00 0.00 C ATOM 1793 SD MET A 117 -9.657 -3.175 6.008 1.00 0.00 S ATOM 1794 CE MET A 117 -11.099 -4.154 5.623 1.00 0.00 C ATOM 0 H MET A 117 -8.906 -7.960 7.513 1.00 0.00 H new ATOM 0 HA MET A 117 -6.801 -6.466 6.350 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.402 -6.317 6.079 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.372 -5.356 7.545 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.436 -4.029 6.219 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.253 -4.698 4.820 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.929 -3.495 5.370 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.881 -4.805 4.776 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.368 -4.761 6.487 1.00 0.00 H new ATOM 1804 N LYS A 118 -7.507 -5.873 9.504 1.00 0.00 N ATOM 1805 CA LYS A 118 -7.019 -5.234 10.715 1.00 0.00 C ATOM 1806 C LYS A 118 -5.641 -5.801 11.066 1.00 0.00 C ATOM 1807 O LYS A 118 -4.803 -5.099 11.629 1.00 0.00 O ATOM 1808 CB LYS A 118 -8.044 -5.369 11.843 1.00 0.00 C ATOM 1809 CG LYS A 118 -7.559 -4.665 13.112 1.00 0.00 C ATOM 1810 CD LYS A 118 -8.730 -4.353 14.047 1.00 0.00 C ATOM 1811 CE LYS A 118 -8.840 -5.400 15.157 1.00 0.00 C ATOM 1812 NZ LYS A 118 -9.937 -5.055 16.087 1.00 0.00 N ATOM 0 H LYS A 118 -8.327 -6.465 9.635 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.893 -4.163 10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -8.996 -4.942 11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.222 -6.424 12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.835 -5.296 13.628 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.045 -3.741 12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.596 -3.365 14.487 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -9.658 -4.324 13.476 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -9.020 -6.383 14.721 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -7.898 -5.461 15.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -9.998 -5.776 16.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -9.749 -4.126 16.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.836 -5.020 15.566 1.00 0.00 H new ATOM 1826 N ALA A 119 -5.451 -7.065 10.718 1.00 0.00 N ATOM 1827 CA ALA A 119 -4.189 -7.734 10.990 1.00 0.00 C ATOM 1828 C ALA A 119 -3.094 -7.118 10.118 1.00 0.00 C ATOM 1829 O ALA A 119 -2.002 -6.824 10.603 1.00 0.00 O ATOM 1830 CB ALA A 119 -4.348 -9.238 10.753 1.00 0.00 C ATOM 0 H ALA A 119 -6.149 -7.644 10.250 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.897 -7.597 12.031 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.402 -9.740 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.118 -9.631 11.416 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.637 -9.415 9.717 1.00 0.00 H new ATOM 1836 N ALA A 120 -3.422 -6.942 8.847 1.00 0.00 N ATOM 1837 CA ALA A 120 -2.478 -6.368 7.902 1.00 0.00 C ATOM 1838 C ALA A 120 -2.041 -4.989 8.401 1.00 0.00 C ATOM 1839 O ALA A 120 -0.850 -4.742 8.588 1.00 0.00 O ATOM 1840 CB ALA A 120 -3.117 -6.309 6.513 1.00 0.00 C ATOM 0 H ALA A 120 -4.329 -7.187 8.449 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.586 -6.990 7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.409 -5.879 5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.384 -7.316 6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.014 -5.690 6.551 1.00 0.00 H new ATOM 1846 N ILE A 121 -3.027 -4.128 8.602 1.00 0.00 N ATOM 1847 CA ILE A 121 -2.758 -2.780 9.076 1.00 0.00 C ATOM 1848 C ILE A 121 -1.992 -2.853 10.398 1.00 0.00 C ATOM 1849 O ILE A 121 -1.086 -2.056 10.639 1.00 0.00 O ATOM 1850 CB ILE A 121 -4.056 -1.974 9.162 1.00 0.00 C ATOM 1851 CG1 ILE A 121 -5.186 -2.815 9.759 1.00 0.00 C ATOM 1852 CG2 ILE A 121 -4.432 -1.396 7.796 1.00 0.00 C ATOM 1853 CD1 ILE A 121 -5.758 -2.151 11.014 1.00 0.00 C ATOM 0 H ILE A 121 -4.013 -4.337 8.446 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.124 -2.246 8.368 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.892 -1.132 9.835 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.976 -2.946 9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.813 -3.809 10.007 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.358 -0.828 7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -3.635 -0.740 7.447 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.571 -2.209 7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.560 -2.769 11.419 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.970 -2.043 11.760 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -6.152 -1.167 10.758 1.00 0.00 H new ATOM 1865 N GLU A 122 -2.382 -3.816 11.220 1.00 0.00 N ATOM 1866 CA GLU A 122 -1.742 -4.002 12.512 1.00 0.00 C ATOM 1867 C GLU A 122 -0.266 -4.361 12.326 1.00 0.00 C ATOM 1868 O GLU A 122 0.551 -4.121 13.214 1.00 0.00 O ATOM 1869 CB GLU A 122 -2.467 -5.071 13.332 1.00 0.00 C ATOM 1870 CG GLU A 122 -3.464 -4.434 14.303 1.00 0.00 C ATOM 1871 CD GLU A 122 -3.893 -5.432 15.381 1.00 0.00 C ATOM 1872 OE1 GLU A 122 -4.455 -6.478 14.994 1.00 0.00 O ATOM 1873 OE2 GLU A 122 -3.648 -5.124 16.567 1.00 0.00 O ATOM 0 H GLU A 122 -3.133 -4.476 11.017 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.801 -3.064 13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.991 -5.754 12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.740 -5.663 13.888 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -3.013 -3.559 14.771 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.340 -4.086 13.755 1.00 0.00 H new ATOM 1880 N ALA A 123 0.031 -4.928 11.167 1.00 0.00 N ATOM 1881 CA ALA A 123 1.394 -5.321 10.853 1.00 0.00 C ATOM 1882 C ALA A 123 2.139 -4.128 10.252 1.00 0.00 C ATOM 1883 O ALA A 123 3.293 -3.875 10.594 1.00 0.00 O ATOM 1884 CB ALA A 123 1.375 -6.529 9.915 1.00 0.00 C ATOM 0 H ALA A 123 -0.649 -5.125 10.433 1.00 0.00 H new ATOM 0 HA ALA A 123 1.924 -5.619 11.757 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.398 -6.823 9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.861 -7.359 10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.852 -6.267 8.995 1.00 0.00 H new ATOM 1890 N VAL A 124 1.449 -3.427 9.364 1.00 0.00 N ATOM 1891 CA VAL A 124 2.031 -2.266 8.712 1.00 0.00 C ATOM 1892 C VAL A 124 2.492 -1.267 9.773 1.00 0.00 C ATOM 1893 O VAL A 124 3.525 -0.618 9.614 1.00 0.00 O ATOM 1894 CB VAL A 124 1.031 -1.667 7.721 1.00 0.00 C ATOM 1895 CG1 VAL A 124 0.289 -0.481 8.341 1.00 0.00 C ATOM 1896 CG2 VAL A 124 1.724 -1.260 6.419 1.00 0.00 C ATOM 0 H VAL A 124 0.493 -3.641 9.081 1.00 0.00 H new ATOM 0 HA VAL A 124 2.909 -2.553 8.134 1.00 0.00 H new ATOM 0 HB VAL A 124 0.296 -2.435 7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -0.416 -0.073 7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.253 -0.813 9.226 1.00 0.00 H new ATOM 0 HG13 VAL A 124 1.006 0.290 8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 124 0.990 -0.837 5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.492 -0.516 6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.185 -2.136 5.963 1.00 0.00 H new ATOM 1906 N PHE A 125 1.706 -1.174 10.835 1.00 0.00 N ATOM 1907 CA PHE A 125 2.020 -0.265 11.924 1.00 0.00 C ATOM 1908 C PHE A 125 2.705 -1.004 13.075 1.00 0.00 C ATOM 1909 O PHE A 125 3.818 -0.658 13.464 1.00 0.00 O ATOM 1910 CB PHE A 125 0.694 0.314 12.422 1.00 0.00 C ATOM 1911 CG PHE A 125 0.273 1.603 11.713 1.00 0.00 C ATOM 1912 CD1 PHE A 125 0.827 2.791 12.077 1.00 0.00 C ATOM 1913 CD2 PHE A 125 -0.655 1.562 10.720 1.00 0.00 C ATOM 1914 CE1 PHE A 125 0.436 3.987 11.420 1.00 0.00 C ATOM 1915 CE2 PHE A 125 -1.046 2.759 10.063 1.00 0.00 C ATOM 1916 CZ PHE A 125 -0.492 3.946 10.427 1.00 0.00 C ATOM 0 H PHE A 125 0.851 -1.714 10.965 1.00 0.00 H new ATOM 0 HA PHE A 125 2.697 0.514 11.574 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.089 -0.433 12.291 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.773 0.509 13.492 1.00 0.00 H new ATOM 0 HD1 PHE A 125 1.564 2.824 12.866 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.095 0.619 10.431 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.876 4.930 11.709 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -1.783 2.726 9.274 1.00 0.00 H new ATOM 0 HZ PHE A 125 -0.789 4.856 9.927 1.00 0.00 H new ATOM 1926 N GLY A 126 2.008 -2.008 13.588 1.00 0.00 N ATOM 1927 CA GLY A 126 2.535 -2.799 14.687 1.00 0.00 C ATOM 1928 C GLY A 126 3.905 -3.385 14.335 1.00 0.00 C ATOM 1929 O GLY A 126 4.845 -3.289 15.121 1.00 0.00 O ATOM 0 H GLY A 126 1.084 -2.291 13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.620 -2.178 15.579 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.841 -3.605 14.925 1.00 0.00 H new ATOM 1933 N ALA A 127 3.972 -3.977 13.152 1.00 0.00 N ATOM 1934 CA ALA A 127 5.211 -4.577 12.685 1.00 0.00 C ATOM 1935 C ALA A 127 5.918 -3.607 11.738 1.00 0.00 C ATOM 1936 O ALA A 127 6.133 -3.921 10.568 1.00 0.00 O ATOM 1937 CB ALA A 127 4.908 -5.922 12.023 1.00 0.00 C ATOM 0 H ALA A 127 3.189 -4.054 12.503 1.00 0.00 H new ATOM 0 HA ALA A 127 5.884 -4.769 13.521 1.00 0.00 H new ATOM 0 HB1 ALA A 127 5.837 -6.372 11.673 1.00 0.00 H new ATOM 0 HB2 ALA A 127 4.434 -6.585 12.747 1.00 0.00 H new ATOM 0 HB3 ALA A 127 4.238 -5.768 11.177 1.00 0.00 H new ATOM 1943 N LEU A 128 6.260 -2.447 12.278 1.00 0.00 N ATOM 1944 CA LEU A 128 6.939 -1.427 11.495 1.00 0.00 C ATOM 1945 C LEU A 128 8.360 -1.897 11.177 1.00 0.00 C ATOM 1946 O LEU A 128 9.112 -2.266 12.078 1.00 0.00 O ATOM 1947 CB LEU A 128 6.884 -0.076 12.211 1.00 0.00 C ATOM 1948 CG LEU A 128 6.770 1.156 11.310 1.00 0.00 C ATOM 1949 CD1 LEU A 128 8.054 1.369 10.508 1.00 0.00 C ATOM 1950 CD2 LEU A 128 5.537 1.063 10.408 1.00 0.00 C ATOM 0 H LEU A 128 6.080 -2.190 13.249 1.00 0.00 H new ATOM 0 HA LEU A 128 6.431 -1.277 10.542 1.00 0.00 H new ATOM 0 HB2 LEU A 128 6.034 -0.083 12.893 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.781 0.026 12.821 1.00 0.00 H new ATOM 0 HG LEU A 128 6.639 2.033 11.944 1.00 0.00 H new ATOM 0 HD11 LEU A 128 7.946 2.251 9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.891 1.513 11.192 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.242 0.496 9.883 1.00 0.00 H new ATOM 0 HD21 LEU A 128 5.479 1.951 9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 128 5.612 0.176 9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 128 4.640 0.996 11.024 1.00 0.00 H new ATOM 1962 N LYS A 129 8.685 -1.868 9.893 1.00 0.00 N ATOM 1963 CA LYS A 129 10.002 -2.286 9.445 1.00 0.00 C ATOM 1964 C LYS A 129 10.456 -3.495 10.266 1.00 0.00 C ATOM 1965 O LYS A 129 11.156 -4.369 9.756 1.00 0.00 O ATOM 1966 CB LYS A 129 10.982 -1.110 9.489 1.00 0.00 C ATOM 1967 CG LYS A 129 11.517 -0.791 8.092 1.00 0.00 C ATOM 1968 CD LYS A 129 12.968 -0.310 8.159 1.00 0.00 C ATOM 1969 CE LYS A 129 13.039 1.218 8.152 1.00 0.00 C ATOM 1970 NZ LYS A 129 14.050 1.694 9.123 1.00 0.00 N ATOM 0 H LYS A 129 8.059 -1.561 9.149 1.00 0.00 H new ATOM 0 HA LYS A 129 9.966 -2.603 8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 129 10.484 -0.232 9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.812 -1.348 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 129 11.453 -1.678 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 129 10.897 -0.025 7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.442 -0.696 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.526 -0.708 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 129 13.291 1.572 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 129 12.063 1.635 8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 14.086 2.733 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 13.793 1.372 10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.983 1.311 8.868 1.00 0.00 H new TER 1984 LYS A 129