USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 960 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 62 ASN : amide:sc= -5.61! K(o=-8.1!,f=-2.4) USER MOD Set 1.2: A 86 THR OG1 : rot -140:sc= -2.46! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.54) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00319 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 162:sc= -0.409 (180deg=-0.839) USER MOD Single : A 27 THR OG1 : rot -78:sc= -0.14! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -14.9! C(o=-15!,f=-14!) USER MOD Single : A 38 THR OG1 : rot -100:sc= -4.54! USER MOD Single : A 40 SER OG : rot 16:sc= -0.054 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.834 X(o=-0.83,f=-0.37) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 69 TYR OH : rot 15:sc= -3.17! USER MOD Single : A 79 ASN : amide:sc= -9.26! C(o=-9.3!,f=-13!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 111:sc= -1.54! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -144:sc= -1.32! USER MOD Single : A 97 TYR OH : rot 35:sc= -0.748 USER MOD Single : A 98 SER OG : rot 74:sc= 0.928 USER MOD Single : A 99 ASN : amide:sc= -4.62! K(o=-4.6!,f=-1.9) USER MOD Single : A 104 THR OG1 : rot -46:sc= 0.366 USER MOD Single : A 105 LYS NZ :NH3+ 164:sc= -0.87! (180deg=-1.27!) USER MOD Single : A 110 SER OG : rot 180:sc= -0.0318 USER MOD Single : A 118 GLN : amide:sc= -2.12! K(o=-2.1!,f=-1.1) USER MOD Single : A 120 SER OG : rot 180:sc= -0.396 USER MOD Single : A 121 LYS NZ :NH3+ -166:sc= -1.83 (180deg=-2.24) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.658 19.889 7.823 1.00 0.00 N ATOM 2 CA GLY A 1 11.863 20.649 9.087 1.00 0.00 C ATOM 3 C GLY A 1 10.505 20.981 9.707 1.00 0.00 C ATOM 4 O GLY A 1 9.729 20.105 10.032 1.00 0.00 O ATOM 0 H1 GLY A 1 12.581 19.663 7.400 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.145 19.008 8.027 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.104 20.465 7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.460 20.061 9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.418 21.566 8.887 1.00 0.00 H new ATOM 10 N SER A 2 10.211 22.242 9.872 1.00 0.00 N ATOM 11 CA SER A 2 8.902 22.630 10.468 1.00 0.00 C ATOM 12 C SER A 2 8.815 22.143 11.917 1.00 0.00 C ATOM 13 O SER A 2 9.796 21.735 12.506 1.00 0.00 O ATOM 14 CB SER A 2 7.856 21.931 9.602 1.00 0.00 C ATOM 15 OG SER A 2 6.861 22.870 9.215 1.00 0.00 O ATOM 0 H SER A 2 10.821 23.020 9.620 1.00 0.00 H new ATOM 0 HA SER A 2 8.759 23.710 10.490 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.328 21.500 8.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.401 21.109 10.154 1.00 0.00 H new ATOM 0 HG SER A 2 6.189 22.424 8.658 1.00 0.00 H new ATOM 21 N HIS A 3 7.645 22.179 12.492 1.00 0.00 N ATOM 22 CA HIS A 3 7.486 21.716 13.902 1.00 0.00 C ATOM 23 C HIS A 3 7.606 20.189 13.967 1.00 0.00 C ATOM 24 O HIS A 3 8.570 19.622 13.491 1.00 0.00 O ATOM 25 CB HIS A 3 6.086 22.183 14.307 1.00 0.00 C ATOM 26 CG HIS A 3 5.905 23.618 13.896 1.00 0.00 C ATOM 27 ND1 HIS A 3 6.924 24.550 14.008 1.00 0.00 N ATOM 28 CD2 HIS A 3 4.835 24.294 13.363 1.00 0.00 C ATOM 29 CE1 HIS A 3 6.452 25.724 13.552 1.00 0.00 C ATOM 30 NE2 HIS A 3 5.183 25.625 13.146 1.00 0.00 N ATOM 0 H HIS A 3 6.789 22.510 12.046 1.00 0.00 H new ATOM 0 HA HIS A 3 8.250 22.114 14.569 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.330 21.558 13.832 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.953 22.081 15.384 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.870 23.860 13.145 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.029 26.636 13.518 1.00 0.00 H new ATOM 0 HE2 HIS A 3 4.596 26.365 12.760 1.00 0.00 H new ATOM 38 N MET A 4 6.644 19.513 14.540 1.00 0.00 N ATOM 39 CA MET A 4 6.731 18.026 14.608 1.00 0.00 C ATOM 40 C MET A 4 6.819 17.454 13.192 1.00 0.00 C ATOM 41 O MET A 4 7.323 18.090 12.288 1.00 0.00 O ATOM 42 CB MET A 4 5.437 17.577 15.290 1.00 0.00 C ATOM 43 CG MET A 4 4.239 17.946 14.413 1.00 0.00 C ATOM 44 SD MET A 4 2.760 18.091 15.447 1.00 0.00 S ATOM 45 CE MET A 4 2.270 16.349 15.393 1.00 0.00 C ATOM 0 H MET A 4 5.810 19.923 14.960 1.00 0.00 H new ATOM 0 HA MET A 4 7.610 17.683 15.154 1.00 0.00 H new ATOM 0 HB2 MET A 4 5.458 16.500 15.460 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.345 18.052 16.267 1.00 0.00 H new ATOM 0 HG2 MET A 4 4.429 18.887 13.896 1.00 0.00 H new ATOM 0 HG3 MET A 4 4.087 17.186 13.647 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.361 16.208 15.978 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.086 16.055 14.360 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.068 15.734 15.809 1.00 0.00 H new ATOM 55 N THR A 5 6.326 16.267 12.979 1.00 0.00 N ATOM 56 CA THR A 5 6.385 15.687 11.613 1.00 0.00 C ATOM 57 C THR A 5 4.980 15.366 11.119 1.00 0.00 C ATOM 58 O THR A 5 4.087 15.070 11.889 1.00 0.00 O ATOM 59 CB THR A 5 7.205 14.407 11.740 1.00 0.00 C ATOM 60 OG1 THR A 5 6.775 13.677 12.880 1.00 0.00 O ATOM 61 CG2 THR A 5 8.686 14.758 11.883 1.00 0.00 C ATOM 0 H THR A 5 5.888 15.678 13.687 1.00 0.00 H new ATOM 0 HA THR A 5 6.831 16.380 10.900 1.00 0.00 H new ATOM 0 HB THR A 5 7.064 13.798 10.847 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.301 12.854 12.959 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.270 13.842 11.974 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.015 15.313 11.004 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.831 15.370 12.773 1.00 0.00 H new ATOM 69 N GLU A 6 4.782 15.423 9.840 1.00 0.00 N ATOM 70 CA GLU A 6 3.436 15.120 9.283 1.00 0.00 C ATOM 71 C GLU A 6 3.533 14.747 7.798 1.00 0.00 C ATOM 72 O GLU A 6 2.537 14.652 7.108 1.00 0.00 O ATOM 73 CB GLU A 6 2.634 16.411 9.465 1.00 0.00 C ATOM 74 CG GLU A 6 3.049 17.430 8.403 1.00 0.00 C ATOM 75 CD GLU A 6 2.227 18.708 8.574 1.00 0.00 C ATOM 76 OE1 GLU A 6 2.290 19.291 9.643 1.00 0.00 O ATOM 77 OE2 GLU A 6 1.549 19.083 7.631 1.00 0.00 O ATOM 0 H GLU A 6 5.493 15.667 9.151 1.00 0.00 H new ATOM 0 HA GLU A 6 2.968 14.272 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.567 16.202 9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.805 16.819 10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.112 17.654 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.895 17.016 7.407 1.00 0.00 H new ATOM 84 N ARG A 7 4.721 14.527 7.298 1.00 0.00 N ATOM 85 CA ARG A 7 4.863 14.154 5.864 1.00 0.00 C ATOM 86 C ARG A 7 5.391 12.724 5.755 1.00 0.00 C ATOM 87 O ARG A 7 6.178 12.399 4.888 1.00 0.00 O ATOM 88 CB ARG A 7 5.860 15.157 5.285 1.00 0.00 C ATOM 89 CG ARG A 7 5.668 15.256 3.768 1.00 0.00 C ATOM 90 CD ARG A 7 4.257 15.771 3.454 1.00 0.00 C ATOM 91 NE ARG A 7 4.457 17.167 2.975 1.00 0.00 N ATOM 92 CZ ARG A 7 3.866 17.577 1.886 1.00 0.00 C ATOM 93 NH1 ARG A 7 2.566 17.522 1.786 1.00 0.00 N ATOM 94 NH2 ARG A 7 4.575 18.047 0.896 1.00 0.00 N ATOM 0 H ARG A 7 5.595 14.590 7.820 1.00 0.00 H new ATOM 0 HA ARG A 7 3.916 14.184 5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.716 16.135 5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.879 14.845 5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.413 15.927 3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.819 14.279 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.773 15.158 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.621 15.744 4.338 1.00 0.00 H new ATOM 0 HE ARG A 7 5.057 17.804 3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.010 17.158 2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.106 17.843 0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.591 18.094 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.113 18.367 0.045 1.00 0.00 H new ATOM 108 N ARG A 8 4.945 11.869 6.634 1.00 0.00 N ATOM 109 CA ARG A 8 5.380 10.438 6.620 1.00 0.00 C ATOM 110 C ARG A 8 4.851 9.697 5.379 1.00 0.00 C ATOM 111 O ARG A 8 4.919 8.489 5.304 1.00 0.00 O ATOM 112 CB ARG A 8 4.783 9.831 7.891 1.00 0.00 C ATOM 113 CG ARG A 8 3.296 10.186 7.980 1.00 0.00 C ATOM 114 CD ARG A 8 2.536 9.050 8.669 1.00 0.00 C ATOM 115 NE ARG A 8 1.556 9.730 9.561 1.00 0.00 N ATOM 116 CZ ARG A 8 1.974 10.460 10.559 1.00 0.00 C ATOM 117 NH1 ARG A 8 3.235 10.446 10.898 1.00 0.00 N ATOM 118 NH2 ARG A 8 1.130 11.203 11.222 1.00 0.00 N ATOM 0 H ARG A 8 4.285 12.104 7.376 1.00 0.00 H new ATOM 0 HA ARG A 8 6.466 10.355 6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.909 8.748 7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.310 10.207 8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.166 11.114 8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.892 10.354 6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.032 8.413 7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.211 8.411 9.238 1.00 0.00 H new ATOM 0 HE ARG A 8 0.556 9.625 9.392 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.895 9.864 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.560 11.017 11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.144 11.213 10.960 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.456 11.774 12.002 1.00 0.00 H new ATOM 132 N LEU A 9 4.280 10.389 4.432 1.00 0.00 N ATOM 133 CA LEU A 9 3.716 9.700 3.236 1.00 0.00 C ATOM 134 C LEU A 9 4.768 8.861 2.478 1.00 0.00 C ATOM 135 O LEU A 9 5.499 9.345 1.623 1.00 0.00 O ATOM 136 CB LEU A 9 3.179 10.828 2.357 1.00 0.00 C ATOM 137 CG LEU A 9 1.922 11.418 3.000 1.00 0.00 C ATOM 138 CD1 LEU A 9 2.056 12.939 3.087 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.704 11.059 2.145 1.00 0.00 C ATOM 0 H LEU A 9 4.179 11.404 4.434 1.00 0.00 H new ATOM 0 HA LEU A 9 2.946 8.985 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.937 11.602 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.948 10.450 1.361 1.00 0.00 H new ATOM 0 HG LEU A 9 1.799 11.010 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.160 13.358 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.926 13.194 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.178 13.351 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.195 11.477 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.829 11.469 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.609 9.975 2.084 1.00 0.00 H new ATOM 151 N ARG A 10 4.793 7.584 2.769 1.00 0.00 N ATOM 152 CA ARG A 10 5.710 6.631 2.078 1.00 0.00 C ATOM 153 C ARG A 10 4.855 5.475 1.554 1.00 0.00 C ATOM 154 O ARG A 10 3.871 5.104 2.169 1.00 0.00 O ATOM 155 CB ARG A 10 6.684 6.111 3.141 1.00 0.00 C ATOM 156 CG ARG A 10 7.297 7.267 3.934 1.00 0.00 C ATOM 157 CD ARG A 10 7.656 8.418 2.996 1.00 0.00 C ATOM 158 NE ARG A 10 9.027 8.815 3.420 1.00 0.00 N ATOM 159 CZ ARG A 10 9.198 9.578 4.465 1.00 0.00 C ATOM 160 NH1 ARG A 10 8.173 9.991 5.158 1.00 0.00 N ATOM 161 NH2 ARG A 10 10.406 9.926 4.819 1.00 0.00 N ATOM 0 H ARG A 10 4.198 7.153 3.477 1.00 0.00 H new ATOM 0 HA ARG A 10 6.254 7.092 1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.162 5.436 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.475 5.533 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.593 7.612 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.189 6.925 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.636 8.103 1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.953 9.246 3.093 1.00 0.00 H new ATOM 0 HE ARG A 10 9.836 8.489 2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.229 9.718 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.315 10.587 5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.209 9.602 4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.547 10.522 5.635 1.00 0.00 H new ATOM 175 N VAL A 11 5.190 4.902 0.434 1.00 0.00 N ATOM 176 CA VAL A 11 4.341 3.789 -0.078 1.00 0.00 C ATOM 177 C VAL A 11 5.177 2.564 -0.459 1.00 0.00 C ATOM 178 O VAL A 11 5.501 2.355 -1.612 1.00 0.00 O ATOM 179 CB VAL A 11 3.627 4.369 -1.302 1.00 0.00 C ATOM 180 CG1 VAL A 11 4.653 4.928 -2.286 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.812 3.268 -1.986 1.00 0.00 C ATOM 0 H VAL A 11 5.997 5.148 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 11 3.642 3.438 0.681 1.00 0.00 H new ATOM 0 HB VAL A 11 2.963 5.172 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.138 5.339 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.231 5.715 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.323 4.130 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.303 3.680 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.478 2.465 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.074 2.875 -1.287 1.00 0.00 H new ATOM 191 N LEU A 12 5.505 1.736 0.498 1.00 0.00 N ATOM 192 CA LEU A 12 6.291 0.512 0.184 1.00 0.00 C ATOM 193 C LEU A 12 5.342 -0.563 -0.362 1.00 0.00 C ATOM 194 O LEU A 12 4.689 -1.266 0.384 1.00 0.00 O ATOM 195 CB LEU A 12 6.900 0.090 1.522 1.00 0.00 C ATOM 196 CG LEU A 12 7.619 1.290 2.144 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.925 1.010 3.618 1.00 0.00 C ATOM 198 CD2 LEU A 12 8.927 1.539 1.391 1.00 0.00 C ATOM 0 H LEU A 12 5.262 1.856 1.481 1.00 0.00 H new ATOM 0 HA LEU A 12 7.063 0.671 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.121 -0.271 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.600 -0.733 1.374 1.00 0.00 H new ATOM 0 HG LEU A 12 6.979 2.169 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.437 1.869 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.994 0.832 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.563 0.130 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.443 2.393 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.562 0.656 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.710 1.746 0.343 1.00 0.00 H new ATOM 210 N VAL A 13 5.258 -0.691 -1.661 1.00 0.00 N ATOM 211 CA VAL A 13 4.349 -1.712 -2.262 1.00 0.00 C ATOM 212 C VAL A 13 5.190 -2.800 -2.914 1.00 0.00 C ATOM 213 O VAL A 13 6.239 -2.530 -3.461 1.00 0.00 O ATOM 214 CB VAL A 13 3.534 -0.955 -3.314 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.588 -1.924 -4.025 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.712 0.141 -2.633 1.00 0.00 C ATOM 0 H VAL A 13 5.782 -0.130 -2.333 1.00 0.00 H new ATOM 0 HA VAL A 13 3.701 -2.189 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 13 4.212 -0.507 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.009 -1.383 -4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.168 -2.708 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.912 -2.372 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.132 0.680 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.036 -0.310 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.381 0.835 -2.125 1.00 0.00 H new ATOM 226 N VAL A 14 4.774 -4.031 -2.848 1.00 0.00 N ATOM 227 CA VAL A 14 5.615 -5.089 -3.454 1.00 0.00 C ATOM 228 C VAL A 14 4.792 -6.300 -3.916 1.00 0.00 C ATOM 229 O VAL A 14 3.870 -6.744 -3.255 1.00 0.00 O ATOM 230 CB VAL A 14 6.566 -5.477 -2.328 1.00 0.00 C ATOM 231 CG1 VAL A 14 7.359 -4.252 -1.871 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.761 -6.029 -1.153 1.00 0.00 C ATOM 0 H VAL A 14 3.907 -4.344 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 14 6.124 -4.740 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 14 7.259 -6.237 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.037 -4.537 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.935 -3.858 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.671 -3.486 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.439 -6.307 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.067 -5.267 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.201 -6.907 -1.476 1.00 0.00 H new ATOM 242 N GLU A 15 5.151 -6.837 -5.053 1.00 0.00 N ATOM 243 CA GLU A 15 4.450 -8.035 -5.605 1.00 0.00 C ATOM 244 C GLU A 15 5.380 -8.760 -6.592 1.00 0.00 C ATOM 245 O GLU A 15 6.031 -8.150 -7.409 1.00 0.00 O ATOM 246 CB GLU A 15 3.209 -7.496 -6.312 1.00 0.00 C ATOM 247 CG GLU A 15 3.619 -6.739 -7.571 1.00 0.00 C ATOM 248 CD GLU A 15 3.248 -7.570 -8.796 1.00 0.00 C ATOM 249 OE1 GLU A 15 3.175 -8.780 -8.663 1.00 0.00 O ATOM 250 OE2 GLU A 15 3.037 -6.984 -9.845 1.00 0.00 O ATOM 0 H GLU A 15 5.915 -6.489 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 15 4.176 -8.753 -4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.542 -8.318 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.656 -6.836 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.119 -5.771 -7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.691 -6.543 -7.560 1.00 0.00 H new ATOM 257 N ASP A 16 5.461 -10.055 -6.488 1.00 0.00 N ATOM 258 CA ASP A 16 6.366 -10.858 -7.374 1.00 0.00 C ATOM 259 C ASP A 16 6.564 -10.259 -8.780 1.00 0.00 C ATOM 260 O ASP A 16 7.584 -10.485 -9.400 1.00 0.00 O ATOM 261 CB ASP A 16 5.685 -12.217 -7.475 1.00 0.00 C ATOM 262 CG ASP A 16 4.329 -12.059 -8.167 1.00 0.00 C ATOM 263 OD1 ASP A 16 3.813 -10.954 -8.168 1.00 0.00 O ATOM 264 OD2 ASP A 16 3.830 -13.046 -8.682 1.00 0.00 O ATOM 0 H ASP A 16 4.930 -10.607 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 16 7.370 -10.893 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.313 -12.909 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.550 -12.643 -6.481 1.00 0.00 H new ATOM 269 N GLU A 17 5.622 -9.529 -9.315 1.00 0.00 N ATOM 270 CA GLU A 17 5.830 -8.983 -10.697 1.00 0.00 C ATOM 271 C GLU A 17 6.324 -7.528 -10.673 1.00 0.00 C ATOM 272 O GLU A 17 6.306 -6.866 -9.654 1.00 0.00 O ATOM 273 CB GLU A 17 4.467 -9.077 -11.383 1.00 0.00 C ATOM 274 CG GLU A 17 4.251 -10.507 -11.878 1.00 0.00 C ATOM 275 CD GLU A 17 2.759 -10.841 -11.842 1.00 0.00 C ATOM 276 OE1 GLU A 17 1.965 -9.917 -11.761 1.00 0.00 O ATOM 277 OE2 GLU A 17 2.434 -12.016 -11.896 1.00 0.00 O ATOM 0 H GLU A 17 4.736 -9.289 -8.871 1.00 0.00 H new ATOM 0 HA GLU A 17 6.598 -9.548 -11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.676 -8.797 -10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.418 -8.379 -12.219 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.634 -10.613 -12.893 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.806 -11.207 -11.253 1.00 0.00 H new ATOM 284 N SER A 18 6.767 -7.039 -11.806 1.00 0.00 N ATOM 285 CA SER A 18 7.273 -5.634 -11.891 1.00 0.00 C ATOM 286 C SER A 18 6.151 -4.688 -12.315 1.00 0.00 C ATOM 287 O SER A 18 6.303 -3.482 -12.291 1.00 0.00 O ATOM 288 CB SER A 18 8.371 -5.672 -12.953 1.00 0.00 C ATOM 289 OG SER A 18 7.778 -5.700 -14.246 1.00 0.00 O ATOM 0 H SER A 18 6.800 -7.559 -12.683 1.00 0.00 H new ATOM 0 HA SER A 18 7.644 -5.273 -10.932 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.016 -4.799 -12.856 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.000 -6.551 -12.810 1.00 0.00 H new ATOM 0 HG SER A 18 8.481 -5.723 -14.928 1.00 0.00 H new ATOM 295 N MET A 19 5.017 -5.219 -12.683 1.00 0.00 N ATOM 296 CA MET A 19 3.886 -4.337 -13.082 1.00 0.00 C ATOM 297 C MET A 19 3.634 -3.322 -11.968 1.00 0.00 C ATOM 298 O MET A 19 3.042 -2.282 -12.175 1.00 0.00 O ATOM 299 CB MET A 19 2.687 -5.273 -13.246 1.00 0.00 C ATOM 300 CG MET A 19 2.100 -5.112 -14.650 1.00 0.00 C ATOM 301 SD MET A 19 3.102 -6.044 -15.833 1.00 0.00 S ATOM 302 CE MET A 19 1.842 -7.260 -16.292 1.00 0.00 C ATOM 0 H MET A 19 4.826 -6.220 -12.724 1.00 0.00 H new ATOM 0 HA MET A 19 4.081 -3.781 -13.999 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.995 -6.306 -13.086 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.930 -5.046 -12.496 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.070 -5.469 -14.668 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.077 -4.058 -14.927 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.254 -7.950 -17.028 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.533 -7.816 -15.407 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.979 -6.747 -16.718 1.00 0.00 H new ATOM 312 N ILE A 20 4.096 -3.624 -10.786 1.00 0.00 N ATOM 313 CA ILE A 20 3.907 -2.692 -9.641 1.00 0.00 C ATOM 314 C ILE A 20 5.071 -1.710 -9.583 1.00 0.00 C ATOM 315 O ILE A 20 4.996 -0.670 -8.959 1.00 0.00 O ATOM 316 CB ILE A 20 3.913 -3.591 -8.412 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.873 -2.732 -7.146 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.177 -4.453 -8.405 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.989 -3.628 -5.910 1.00 0.00 C ATOM 0 H ILE A 20 4.600 -4.483 -10.564 1.00 0.00 H new ATOM 0 HA ILE A 20 2.991 -2.106 -9.719 1.00 0.00 H new ATOM 0 HB ILE A 20 3.037 -4.239 -8.439 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.688 -2.008 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.943 -2.164 -7.109 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.175 -5.094 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.201 -5.071 -9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.056 -3.809 -8.384 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.960 -3.013 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.159 -4.334 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.931 -4.176 -5.945 1.00 0.00 H new ATOM 331 N ALA A 21 6.147 -2.041 -10.230 1.00 0.00 N ATOM 332 CA ALA A 21 7.331 -1.145 -10.225 1.00 0.00 C ATOM 333 C ALA A 21 6.983 0.191 -10.883 1.00 0.00 C ATOM 334 O ALA A 21 6.796 1.190 -10.216 1.00 0.00 O ATOM 335 CB ALA A 21 8.378 -1.903 -11.034 1.00 0.00 C ATOM 0 H ALA A 21 6.259 -2.901 -10.767 1.00 0.00 H new ATOM 0 HA ALA A 21 7.683 -0.909 -9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.294 -1.315 -11.085 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.587 -2.859 -10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.002 -2.078 -12.042 1.00 0.00 H new ATOM 341 N MET A 22 6.880 0.224 -12.183 1.00 0.00 N ATOM 342 CA MET A 22 6.529 1.512 -12.850 1.00 0.00 C ATOM 343 C MET A 22 5.223 2.038 -12.264 1.00 0.00 C ATOM 344 O MET A 22 5.038 3.226 -12.089 1.00 0.00 O ATOM 345 CB MET A 22 6.360 1.187 -14.335 1.00 0.00 C ATOM 346 CG MET A 22 6.308 2.494 -15.131 1.00 0.00 C ATOM 347 SD MET A 22 4.687 3.271 -14.926 1.00 0.00 S ATOM 348 CE MET A 22 5.261 4.987 -14.949 1.00 0.00 C ATOM 0 H MET A 22 7.021 -0.572 -12.806 1.00 0.00 H new ATOM 0 HA MET A 22 7.293 2.275 -12.704 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.188 0.569 -14.681 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.446 0.614 -14.493 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.092 3.170 -14.789 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.496 2.296 -16.186 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.420 5.649 -15.156 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.692 5.240 -13.980 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.017 5.107 -15.725 1.00 0.00 H new ATOM 358 N LEU A 23 4.324 1.154 -11.939 1.00 0.00 N ATOM 359 CA LEU A 23 3.036 1.587 -11.339 1.00 0.00 C ATOM 360 C LEU A 23 3.327 2.395 -10.074 1.00 0.00 C ATOM 361 O LEU A 23 2.482 3.100 -9.565 1.00 0.00 O ATOM 362 CB LEU A 23 2.308 0.275 -11.017 1.00 0.00 C ATOM 363 CG LEU A 23 1.182 0.501 -9.997 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.773 0.625 -8.590 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.404 1.775 -10.342 1.00 0.00 C ATOM 0 H LEU A 23 4.427 0.147 -12.064 1.00 0.00 H new ATOM 0 HA LEU A 23 2.436 2.223 -11.990 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.894 -0.148 -11.932 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.019 -0.451 -10.623 1.00 0.00 H new ATOM 0 HG LEU A 23 0.502 -0.350 -10.030 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.970 0.785 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.308 -0.291 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.462 1.469 -8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.391 1.924 -9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.080 2.630 -10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.030 1.678 -11.337 1.00 0.00 H new ATOM 377 N ILE A 24 4.528 2.298 -9.566 1.00 0.00 N ATOM 378 CA ILE A 24 4.885 3.058 -8.337 1.00 0.00 C ATOM 379 C ILE A 24 5.450 4.433 -8.712 1.00 0.00 C ATOM 380 O ILE A 24 5.161 5.426 -8.075 1.00 0.00 O ATOM 381 CB ILE A 24 5.932 2.183 -7.623 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.688 2.248 -6.113 1.00 0.00 C ATOM 383 CG2 ILE A 24 7.358 2.665 -7.926 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.835 1.056 -5.676 1.00 0.00 C ATOM 0 H ILE A 24 5.277 1.723 -9.952 1.00 0.00 H new ATOM 0 HA ILE A 24 4.027 3.251 -7.693 1.00 0.00 H new ATOM 0 HB ILE A 24 5.833 1.159 -7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.639 2.241 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.186 3.181 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.075 2.028 -7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.538 2.616 -9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.474 3.694 -7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.664 1.106 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.878 1.083 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.354 0.129 -5.918 1.00 0.00 H new ATOM 396 N GLU A 25 6.251 4.500 -9.740 1.00 0.00 N ATOM 397 CA GLU A 25 6.822 5.815 -10.145 1.00 0.00 C ATOM 398 C GLU A 25 5.701 6.729 -10.635 1.00 0.00 C ATOM 399 O GLU A 25 5.764 7.936 -10.503 1.00 0.00 O ATOM 400 CB GLU A 25 7.795 5.501 -11.284 1.00 0.00 C ATOM 401 CG GLU A 25 9.212 5.364 -10.723 1.00 0.00 C ATOM 402 CD GLU A 25 10.046 6.583 -11.126 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.883 7.620 -10.505 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.838 6.457 -12.046 1.00 0.00 O ATOM 0 H GLU A 25 6.533 3.706 -10.314 1.00 0.00 H new ATOM 0 HA GLU A 25 7.322 6.323 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.500 4.579 -11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.764 6.293 -12.032 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.177 5.278 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.676 4.453 -11.100 1.00 0.00 H new ATOM 411 N ASP A 26 4.671 6.159 -11.198 1.00 0.00 N ATOM 412 CA ASP A 26 3.543 6.990 -11.697 1.00 0.00 C ATOM 413 C ASP A 26 2.717 7.510 -10.511 1.00 0.00 C ATOM 414 O ASP A 26 2.301 8.650 -10.488 1.00 0.00 O ATOM 415 CB ASP A 26 2.733 6.050 -12.608 1.00 0.00 C ATOM 416 CG ASP A 26 1.651 5.320 -11.806 1.00 0.00 C ATOM 417 OD1 ASP A 26 0.704 5.972 -11.397 1.00 0.00 O ATOM 418 OD2 ASP A 26 1.785 4.122 -11.621 1.00 0.00 O ATOM 0 H ASP A 26 4.563 5.154 -11.333 1.00 0.00 H new ATOM 0 HA ASP A 26 3.868 7.874 -12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.272 6.623 -13.413 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.399 5.324 -13.075 1.00 0.00 H new ATOM 423 N THR A 27 2.493 6.689 -9.518 1.00 0.00 N ATOM 424 CA THR A 27 1.714 7.154 -8.336 1.00 0.00 C ATOM 425 C THR A 27 2.505 8.229 -7.587 1.00 0.00 C ATOM 426 O THR A 27 2.001 9.295 -7.296 1.00 0.00 O ATOM 427 CB THR A 27 1.530 5.922 -7.453 1.00 0.00 C ATOM 428 OG1 THR A 27 2.191 4.811 -8.038 1.00 0.00 O ATOM 429 CG2 THR A 27 0.039 5.617 -7.309 1.00 0.00 C ATOM 0 H THR A 27 2.815 5.722 -9.476 1.00 0.00 H new ATOM 0 HA THR A 27 0.756 7.588 -8.622 1.00 0.00 H new ATOM 0 HB THR A 27 1.957 6.115 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.645 4.454 -8.769 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.093 4.738 -6.679 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.464 6.469 -6.853 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.390 5.426 -8.293 1.00 0.00 H new ATOM 437 N LEU A 28 3.748 7.959 -7.281 1.00 0.00 N ATOM 438 CA LEU A 28 4.569 8.973 -6.562 1.00 0.00 C ATOM 439 C LEU A 28 4.604 10.260 -7.391 1.00 0.00 C ATOM 440 O LEU A 28 4.836 11.337 -6.880 1.00 0.00 O ATOM 441 CB LEU A 28 5.965 8.329 -6.411 1.00 0.00 C ATOM 442 CG LEU A 28 6.993 8.997 -7.336 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.527 10.270 -6.674 1.00 0.00 C ATOM 444 CD2 LEU A 28 8.154 8.030 -7.586 1.00 0.00 C ATOM 0 H LEU A 28 4.226 7.084 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 28 4.172 9.245 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.296 8.413 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.904 7.265 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 28 6.518 9.252 -8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.256 10.743 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.702 10.959 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.003 10.015 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.885 8.502 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.628 7.777 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.776 7.122 -8.056 1.00 0.00 H new ATOM 456 N CYS A 29 4.358 10.150 -8.669 1.00 0.00 N ATOM 457 CA CYS A 29 4.356 11.361 -9.531 1.00 0.00 C ATOM 458 C CYS A 29 3.293 12.339 -9.022 1.00 0.00 C ATOM 459 O CYS A 29 3.427 13.541 -9.140 1.00 0.00 O ATOM 460 CB CYS A 29 4.004 10.850 -10.928 1.00 0.00 C ATOM 461 SG CYS A 29 4.385 12.130 -12.148 1.00 0.00 S ATOM 0 H CYS A 29 4.159 9.273 -9.151 1.00 0.00 H new ATOM 0 HA CYS A 29 5.310 11.888 -9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.567 9.943 -11.148 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.947 10.589 -10.976 1.00 0.00 H new ATOM 0 HG CYS A 29 4.089 11.698 -13.338 1.00 0.00 H new ATOM 467 N GLU A 30 2.238 11.822 -8.448 1.00 0.00 N ATOM 468 CA GLU A 30 1.159 12.697 -7.916 1.00 0.00 C ATOM 469 C GLU A 30 1.410 12.998 -6.433 1.00 0.00 C ATOM 470 O GLU A 30 1.358 14.132 -6.000 1.00 0.00 O ATOM 471 CB GLU A 30 -0.129 11.888 -8.095 1.00 0.00 C ATOM 472 CG GLU A 30 -1.255 12.521 -7.274 1.00 0.00 C ATOM 473 CD GLU A 30 -2.589 12.324 -7.999 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.848 13.064 -8.935 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.329 11.436 -7.607 1.00 0.00 O ATOM 0 H GLU A 30 2.079 10.822 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 30 1.109 13.657 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.407 11.858 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.030 10.858 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.297 12.067 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.061 13.584 -7.130 1.00 0.00 H new ATOM 482 N LEU A 31 1.687 11.985 -5.656 1.00 0.00 N ATOM 483 CA LEU A 31 1.951 12.195 -4.201 1.00 0.00 C ATOM 484 C LEU A 31 3.337 12.795 -3.975 1.00 0.00 C ATOM 485 O LEU A 31 3.549 13.565 -3.059 1.00 0.00 O ATOM 486 CB LEU A 31 1.915 10.796 -3.585 1.00 0.00 C ATOM 487 CG LEU A 31 0.511 10.468 -3.085 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.222 8.986 -3.336 1.00 0.00 C ATOM 489 CD2 LEU A 31 0.440 10.755 -1.582 1.00 0.00 C ATOM 0 H LEU A 31 1.742 11.015 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 31 1.222 12.878 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.225 10.058 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.624 10.737 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.225 11.076 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.780 8.745 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.288 8.778 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.952 8.377 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.560 10.524 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.171 10.138 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.658 11.808 -1.402 1.00 0.00 H new ATOM 501 N GLY A 32 4.293 12.415 -4.772 1.00 0.00 N ATOM 502 CA GLY A 32 5.672 12.928 -4.564 1.00 0.00 C ATOM 503 C GLY A 32 6.260 12.199 -3.355 1.00 0.00 C ATOM 504 O GLY A 32 7.206 12.647 -2.737 1.00 0.00 O ATOM 0 H GLY A 32 4.180 11.773 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.283 12.754 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.658 14.004 -4.392 1.00 0.00 H new ATOM 508 N HIS A 33 5.686 11.072 -3.019 1.00 0.00 N ATOM 509 CA HIS A 33 6.167 10.279 -1.852 1.00 0.00 C ATOM 510 C HIS A 33 7.686 10.337 -1.740 1.00 0.00 C ATOM 511 O HIS A 33 8.383 10.577 -2.706 1.00 0.00 O ATOM 512 CB HIS A 33 5.712 8.850 -2.148 1.00 0.00 C ATOM 513 CG HIS A 33 4.329 8.656 -1.602 1.00 0.00 C ATOM 514 ND1 HIS A 33 3.411 7.799 -2.186 1.00 0.00 N ATOM 515 CD2 HIS A 33 3.694 9.212 -0.525 1.00 0.00 C ATOM 516 CE1 HIS A 33 2.280 7.864 -1.458 1.00 0.00 C ATOM 517 NE2 HIS A 33 2.400 8.711 -0.433 1.00 0.00 N ATOM 0 H HIS A 33 4.893 10.663 -3.513 1.00 0.00 H new ATOM 0 HA HIS A 33 5.774 10.660 -0.909 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.722 8.666 -3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.399 8.135 -1.696 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.132 9.931 0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.385 7.300 -1.677 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.695 8.941 0.267 1.00 0.00 H new ATOM 525 N GLU A 34 8.207 10.115 -0.567 1.00 0.00 N ATOM 526 CA GLU A 34 9.688 10.155 -0.407 1.00 0.00 C ATOM 527 C GLU A 34 10.326 9.037 -1.237 1.00 0.00 C ATOM 528 O GLU A 34 11.281 9.250 -1.956 1.00 0.00 O ATOM 529 CB GLU A 34 9.936 9.924 1.080 1.00 0.00 C ATOM 530 CG GLU A 34 10.984 10.917 1.586 1.00 0.00 C ATOM 531 CD GLU A 34 10.311 12.249 1.921 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.421 12.642 1.185 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.696 12.854 2.909 1.00 0.00 O ATOM 0 H GLU A 34 7.679 9.909 0.281 1.00 0.00 H new ATOM 0 HA GLU A 34 10.118 11.098 -0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.007 10.045 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.277 8.903 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.481 10.517 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.753 11.067 0.828 1.00 0.00 H new ATOM 540 N VAL A 35 9.793 7.849 -1.146 1.00 0.00 N ATOM 541 CA VAL A 35 10.352 6.712 -1.931 1.00 0.00 C ATOM 542 C VAL A 35 9.449 5.484 -1.782 1.00 0.00 C ATOM 543 O VAL A 35 9.081 5.101 -0.690 1.00 0.00 O ATOM 544 CB VAL A 35 11.740 6.453 -1.339 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.618 5.663 -0.034 1.00 0.00 C ATOM 546 CG2 VAL A 35 12.572 5.650 -2.341 1.00 0.00 C ATOM 0 H VAL A 35 8.992 7.616 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 35 10.413 6.932 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 35 12.224 7.407 -1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.611 5.485 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.025 6.232 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.130 4.708 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 35 13.562 5.463 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.078 4.700 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.669 6.215 -3.268 1.00 0.00 H new ATOM 556 N ALA A 36 9.078 4.875 -2.874 1.00 0.00 N ATOM 557 CA ALA A 36 8.190 3.688 -2.801 1.00 0.00 C ATOM 558 C ALA A 36 8.979 2.398 -3.036 1.00 0.00 C ATOM 559 O ALA A 36 10.154 2.421 -3.347 1.00 0.00 O ATOM 560 CB ALA A 36 7.168 3.890 -3.921 1.00 0.00 C ATOM 0 H ALA A 36 9.354 5.152 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 36 7.723 3.595 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.472 3.051 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.618 4.815 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.685 3.948 -4.879 1.00 0.00 H new ATOM 566 N ALA A 37 8.330 1.274 -2.904 1.00 0.00 N ATOM 567 CA ALA A 37 9.018 -0.028 -3.134 1.00 0.00 C ATOM 568 C ALA A 37 8.280 -0.795 -4.230 1.00 0.00 C ATOM 569 O ALA A 37 7.095 -0.608 -4.432 1.00 0.00 O ATOM 570 CB ALA A 37 8.934 -0.775 -1.804 1.00 0.00 C ATOM 0 H ALA A 37 7.346 1.201 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 37 10.053 0.094 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.422 -1.745 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.432 -0.194 -1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.888 -0.920 -1.534 1.00 0.00 H new ATOM 576 N THR A 38 8.968 -1.640 -4.947 1.00 0.00 N ATOM 577 CA THR A 38 8.299 -2.398 -6.043 1.00 0.00 C ATOM 578 C THR A 38 8.633 -3.890 -5.989 1.00 0.00 C ATOM 579 O THR A 38 9.534 -4.318 -5.298 1.00 0.00 O ATOM 580 CB THR A 38 8.836 -1.779 -7.334 1.00 0.00 C ATOM 581 OG1 THR A 38 8.585 -2.667 -8.413 1.00 0.00 O ATOM 582 CG2 THR A 38 10.344 -1.540 -7.212 1.00 0.00 C ATOM 0 H THR A 38 9.961 -1.838 -4.823 1.00 0.00 H new ATOM 0 HA THR A 38 7.214 -2.332 -5.964 1.00 0.00 H new ATOM 0 HB THR A 38 8.338 -0.826 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.401 -3.168 -8.621 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.718 -1.099 -8.136 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.539 -0.862 -6.381 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.849 -2.489 -7.032 1.00 0.00 H new ATOM 590 N ALA A 39 7.887 -4.673 -6.724 1.00 0.00 N ATOM 591 CA ALA A 39 8.100 -6.148 -6.746 1.00 0.00 C ATOM 592 C ALA A 39 8.076 -6.699 -5.329 1.00 0.00 C ATOM 593 O ALA A 39 8.255 -5.979 -4.379 1.00 0.00 O ATOM 594 CB ALA A 39 9.460 -6.372 -7.379 1.00 0.00 C ATOM 0 H ALA A 39 7.127 -4.345 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 39 7.317 -6.657 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.670 -7.441 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.464 -5.961 -8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.225 -5.875 -6.783 1.00 0.00 H new ATOM 600 N SER A 40 7.826 -7.965 -5.176 1.00 0.00 N ATOM 601 CA SER A 40 7.772 -8.539 -3.804 1.00 0.00 C ATOM 602 C SER A 40 9.180 -8.843 -3.287 1.00 0.00 C ATOM 603 O SER A 40 9.950 -9.542 -3.916 1.00 0.00 O ATOM 604 CB SER A 40 6.944 -9.809 -3.930 1.00 0.00 C ATOM 605 OG SER A 40 7.671 -10.778 -4.675 1.00 0.00 O ATOM 0 H SER A 40 7.657 -8.625 -5.935 1.00 0.00 H new ATOM 0 HA SER A 40 7.330 -7.845 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.705 -10.200 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.997 -9.591 -4.424 1.00 0.00 H new ATOM 0 HG SER A 40 8.614 -10.515 -4.721 1.00 0.00 H new ATOM 611 N ARG A 41 9.521 -8.315 -2.140 1.00 0.00 N ATOM 612 CA ARG A 41 10.871 -8.559 -1.575 1.00 0.00 C ATOM 613 C ARG A 41 10.778 -8.692 -0.051 1.00 0.00 C ATOM 614 O ARG A 41 10.387 -7.771 0.638 1.00 0.00 O ATOM 615 CB ARG A 41 11.683 -7.320 -1.955 1.00 0.00 C ATOM 616 CG ARG A 41 13.141 -7.714 -2.187 1.00 0.00 C ATOM 617 CD ARG A 41 13.389 -7.833 -3.692 1.00 0.00 C ATOM 618 NE ARG A 41 14.091 -9.134 -3.871 1.00 0.00 N ATOM 619 CZ ARG A 41 13.426 -10.181 -4.276 1.00 0.00 C ATOM 620 NH1 ARG A 41 13.049 -10.272 -5.522 1.00 0.00 N ATOM 621 NH2 ARG A 41 13.139 -11.137 -3.435 1.00 0.00 N ATOM 0 H ARG A 41 8.915 -7.723 -1.571 1.00 0.00 H new ATOM 0 HA ARG A 41 11.325 -9.476 -1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.271 -6.865 -2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.619 -6.574 -1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.807 -6.968 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.359 -8.661 -1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.452 -7.812 -4.248 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.996 -7.005 -4.058 1.00 0.00 H new ATOM 0 HE ARG A 41 15.090 -9.207 -3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.274 -9.525 -6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.529 -11.090 -5.839 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.435 -11.066 -2.461 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.619 -11.956 -3.751 1.00 0.00 H new ATOM 635 N MET A 42 11.127 -9.830 0.484 1.00 0.00 N ATOM 636 CA MET A 42 11.050 -10.015 1.962 1.00 0.00 C ATOM 637 C MET A 42 11.901 -8.962 2.679 1.00 0.00 C ATOM 638 O MET A 42 11.575 -8.521 3.764 1.00 0.00 O ATOM 639 CB MET A 42 11.602 -11.416 2.212 1.00 0.00 C ATOM 640 CG MET A 42 10.484 -12.439 2.013 1.00 0.00 C ATOM 641 SD MET A 42 10.367 -13.497 3.478 1.00 0.00 S ATOM 642 CE MET A 42 11.226 -14.934 2.791 1.00 0.00 C ATOM 0 H MET A 42 11.462 -10.640 -0.038 1.00 0.00 H new ATOM 0 HA MET A 42 10.033 -9.903 2.339 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.426 -11.622 1.529 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.001 -11.488 3.224 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.536 -11.929 1.843 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.684 -13.044 1.129 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.270 -15.724 3.540 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.688 -15.295 1.914 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.238 -14.650 2.504 1.00 0.00 H new ATOM 652 N GLN A 43 12.988 -8.557 2.083 1.00 0.00 N ATOM 653 CA GLN A 43 13.858 -7.534 2.731 1.00 0.00 C ATOM 654 C GLN A 43 13.157 -6.173 2.738 1.00 0.00 C ATOM 655 O GLN A 43 13.228 -5.432 3.699 1.00 0.00 O ATOM 656 CB GLN A 43 15.118 -7.482 1.869 1.00 0.00 C ATOM 657 CG GLN A 43 15.767 -8.868 1.823 1.00 0.00 C ATOM 658 CD GLN A 43 15.864 -9.439 3.240 1.00 0.00 C ATOM 659 OE1 GLN A 43 15.580 -10.600 3.460 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.258 -8.668 4.218 1.00 0.00 N ATOM 0 H GLN A 43 13.312 -8.890 1.175 1.00 0.00 H new ATOM 0 HA GLN A 43 14.084 -7.781 3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.867 -7.153 0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 43 15.820 -6.754 2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.180 -9.534 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.760 -8.801 1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.497 -7.693 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.327 -9.041 5.165 1.00 0.00 H new ATOM 669 N GLU A 44 12.484 -5.836 1.672 1.00 0.00 N ATOM 670 CA GLU A 44 11.783 -4.525 1.616 1.00 0.00 C ATOM 671 C GLU A 44 10.463 -4.592 2.388 1.00 0.00 C ATOM 672 O GLU A 44 10.222 -3.819 3.294 1.00 0.00 O ATOM 673 CB GLU A 44 11.521 -4.276 0.131 1.00 0.00 C ATOM 674 CG GLU A 44 12.852 -4.186 -0.616 1.00 0.00 C ATOM 675 CD GLU A 44 13.183 -2.719 -0.899 1.00 0.00 C ATOM 676 OE1 GLU A 44 12.458 -1.864 -0.417 1.00 0.00 O ATOM 677 OE2 GLU A 44 14.154 -2.476 -1.595 1.00 0.00 O ATOM 0 H GLU A 44 12.390 -6.414 0.837 1.00 0.00 H new ATOM 0 HA GLU A 44 12.373 -3.726 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.914 -5.082 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.956 -3.353 0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.645 -4.640 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.794 -4.743 -1.551 1.00 0.00 H new ATOM 684 N ALA A 45 9.606 -5.512 2.035 1.00 0.00 N ATOM 685 CA ALA A 45 8.303 -5.628 2.750 1.00 0.00 C ATOM 686 C ALA A 45 8.531 -5.505 4.254 1.00 0.00 C ATOM 687 O ALA A 45 7.955 -4.670 4.916 1.00 0.00 O ATOM 688 CB ALA A 45 7.775 -7.020 2.399 1.00 0.00 C ATOM 0 H ALA A 45 9.752 -6.187 1.284 1.00 0.00 H new ATOM 0 HA ALA A 45 7.599 -4.847 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.815 -7.180 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.648 -7.099 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.485 -7.774 2.737 1.00 0.00 H new ATOM 694 N LEU A 46 9.382 -6.325 4.795 1.00 0.00 N ATOM 695 CA LEU A 46 9.663 -6.252 6.253 1.00 0.00 C ATOM 696 C LEU A 46 9.816 -4.792 6.668 1.00 0.00 C ATOM 697 O LEU A 46 9.351 -4.376 7.710 1.00 0.00 O ATOM 698 CB LEU A 46 10.982 -7.004 6.433 1.00 0.00 C ATOM 699 CG LEU A 46 11.318 -7.114 7.922 1.00 0.00 C ATOM 700 CD1 LEU A 46 12.489 -8.080 8.107 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.708 -5.737 8.465 1.00 0.00 C ATOM 0 H LEU A 46 9.897 -7.046 4.289 1.00 0.00 H new ATOM 0 HA LEU A 46 8.866 -6.680 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.907 -7.999 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.783 -6.483 5.908 1.00 0.00 H new ATOM 0 HG LEU A 46 10.447 -7.484 8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.731 -8.160 9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.215 -9.062 7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.358 -7.707 7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.947 -5.818 9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.579 -5.366 7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.877 -5.045 8.332 1.00 0.00 H new ATOM 713 N ASP A 47 10.469 -4.012 5.856 1.00 0.00 N ATOM 714 CA ASP A 47 10.659 -2.577 6.198 1.00 0.00 C ATOM 715 C ASP A 47 9.306 -1.871 6.318 1.00 0.00 C ATOM 716 O ASP A 47 9.120 -1.013 7.156 1.00 0.00 O ATOM 717 CB ASP A 47 11.463 -1.989 5.037 1.00 0.00 C ATOM 718 CG ASP A 47 12.405 -0.905 5.565 1.00 0.00 C ATOM 719 OD1 ASP A 47 13.506 -1.246 5.963 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.008 0.250 5.562 1.00 0.00 O ATOM 0 H ASP A 47 10.880 -4.306 4.970 1.00 0.00 H new ATOM 0 HA ASP A 47 11.169 -2.452 7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.036 -2.774 4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.789 -1.568 4.291 1.00 0.00 H new ATOM 725 N ILE A 48 8.364 -2.213 5.480 1.00 0.00 N ATOM 726 CA ILE A 48 7.038 -1.543 5.542 1.00 0.00 C ATOM 727 C ILE A 48 6.308 -1.917 6.839 1.00 0.00 C ATOM 728 O ILE A 48 5.672 -1.095 7.463 1.00 0.00 O ATOM 729 CB ILE A 48 6.247 -1.999 4.285 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.456 -3.288 4.567 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.203 -2.226 3.111 1.00 0.00 C ATOM 732 CD1 ILE A 48 5.040 -3.945 3.242 1.00 0.00 C ATOM 0 H ILE A 48 8.458 -2.927 4.757 1.00 0.00 H new ATOM 0 HA ILE A 48 7.140 -0.458 5.548 1.00 0.00 H new ATOM 0 HB ILE A 48 5.541 -1.209 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.065 -3.979 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.573 -3.060 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.636 -2.545 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.728 -1.298 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.927 -2.997 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.480 -4.857 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.414 -3.256 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.930 -4.189 2.662 1.00 0.00 H new ATOM 744 N ALA A 49 6.388 -3.142 7.267 1.00 0.00 N ATOM 745 CA ALA A 49 5.675 -3.512 8.516 1.00 0.00 C ATOM 746 C ALA A 49 6.444 -3.032 9.754 1.00 0.00 C ATOM 747 O ALA A 49 5.909 -2.336 10.593 1.00 0.00 O ATOM 748 CB ALA A 49 5.591 -5.037 8.491 1.00 0.00 C ATOM 0 H ALA A 49 6.908 -3.894 6.814 1.00 0.00 H new ATOM 0 HA ALA A 49 4.690 -3.048 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.075 -5.388 9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.041 -5.357 7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.597 -5.456 8.464 1.00 0.00 H new ATOM 754 N ARG A 50 7.687 -3.406 9.884 1.00 0.00 N ATOM 755 CA ARG A 50 8.475 -2.980 11.079 1.00 0.00 C ATOM 756 C ARG A 50 8.591 -1.451 11.145 1.00 0.00 C ATOM 757 O ARG A 50 8.899 -0.891 12.178 1.00 0.00 O ATOM 758 CB ARG A 50 9.855 -3.610 10.890 1.00 0.00 C ATOM 759 CG ARG A 50 9.995 -4.829 11.807 1.00 0.00 C ATOM 760 CD ARG A 50 9.421 -6.065 11.111 1.00 0.00 C ATOM 761 NE ARG A 50 9.608 -7.176 12.084 1.00 0.00 N ATOM 762 CZ ARG A 50 9.209 -8.383 11.784 1.00 0.00 C ATOM 763 NH1 ARG A 50 7.974 -8.739 12.016 1.00 0.00 N ATOM 764 NH2 ARG A 50 10.044 -9.233 11.251 1.00 0.00 N ATOM 0 H ARG A 50 8.192 -3.988 9.216 1.00 0.00 H new ATOM 0 HA ARG A 50 8.000 -3.295 12.008 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.990 -3.907 9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.633 -2.881 11.117 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.044 -4.993 12.053 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.471 -4.652 12.746 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.368 -5.927 10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.941 -6.268 10.175 1.00 0.00 H new ATOM 0 HE ARG A 50 10.048 -6.994 12.986 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.321 -8.074 12.431 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.662 -9.682 11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.008 -8.955 11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.732 -10.176 11.017 1.00 0.00 H new ATOM 778 N LYS A 51 8.356 -0.772 10.055 1.00 0.00 N ATOM 779 CA LYS A 51 8.466 0.715 10.067 1.00 0.00 C ATOM 780 C LYS A 51 7.453 1.322 11.046 1.00 0.00 C ATOM 781 O LYS A 51 7.791 2.159 11.859 1.00 0.00 O ATOM 782 CB LYS A 51 8.164 1.140 8.629 1.00 0.00 C ATOM 783 CG LYS A 51 7.942 2.650 8.568 1.00 0.00 C ATOM 784 CD LYS A 51 9.089 3.302 7.790 1.00 0.00 C ATOM 785 CE LYS A 51 9.958 4.119 8.747 1.00 0.00 C ATOM 786 NZ LYS A 51 11.021 4.714 7.888 1.00 0.00 N ATOM 0 H LYS A 51 8.093 -1.181 9.159 1.00 0.00 H new ATOM 0 HA LYS A 51 9.448 1.056 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.990 0.859 7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.279 0.619 8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.990 2.869 8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.891 3.062 9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.691 2.537 7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.690 3.945 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.375 4.893 9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.387 3.489 9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.659 5.290 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.564 3.954 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.584 5.314 7.160 1.00 0.00 H new ATOM 800 N GLY A 52 6.220 0.897 10.991 1.00 0.00 N ATOM 801 CA GLY A 52 5.203 1.443 11.938 1.00 0.00 C ATOM 802 C GLY A 52 4.599 2.748 11.404 1.00 0.00 C ATOM 803 O GLY A 52 3.467 3.075 11.699 1.00 0.00 O ATOM 0 H GLY A 52 5.873 0.198 10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.413 0.708 12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.664 1.622 12.909 1.00 0.00 H new ATOM 807 N GLN A 53 5.338 3.510 10.641 1.00 0.00 N ATOM 808 CA GLN A 53 4.779 4.799 10.125 1.00 0.00 C ATOM 809 C GLN A 53 5.052 4.971 8.623 1.00 0.00 C ATOM 810 O GLN A 53 5.190 6.075 8.135 1.00 0.00 O ATOM 811 CB GLN A 53 5.488 5.899 10.928 1.00 0.00 C ATOM 812 CG GLN A 53 6.954 5.519 11.171 1.00 0.00 C ATOM 813 CD GLN A 53 7.593 6.529 12.126 1.00 0.00 C ATOM 814 OE1 GLN A 53 8.117 7.539 11.701 1.00 0.00 O ATOM 815 NE2 GLN A 53 7.572 6.296 13.410 1.00 0.00 N ATOM 0 H GLN A 53 6.294 3.301 10.354 1.00 0.00 H new ATOM 0 HA GLN A 53 3.696 4.834 10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.435 6.844 10.388 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.981 6.047 11.881 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.015 4.516 11.592 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.497 5.502 10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.132 5.448 13.767 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.996 6.962 14.056 1.00 0.00 H new ATOM 824 N PHE A 54 5.124 3.895 7.886 1.00 0.00 N ATOM 825 CA PHE A 54 5.385 4.009 6.414 1.00 0.00 C ATOM 826 C PHE A 54 4.168 4.560 5.658 1.00 0.00 C ATOM 827 O PHE A 54 4.179 4.656 4.446 1.00 0.00 O ATOM 828 CB PHE A 54 5.696 2.590 5.931 1.00 0.00 C ATOM 829 CG PHE A 54 4.544 1.639 6.209 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.418 2.036 6.943 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.624 0.336 5.733 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.384 1.131 7.190 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.595 -0.571 5.985 1.00 0.00 C ATOM 834 CZ PHE A 54 2.473 -0.176 6.711 1.00 0.00 C ATOM 0 H PHE A 54 5.014 2.943 8.235 1.00 0.00 H new ATOM 0 HA PHE A 54 6.206 4.701 6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.905 2.607 4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.596 2.226 6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.350 3.046 7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.488 0.024 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.516 1.443 7.752 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.668 -1.583 5.616 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.676 -0.879 6.902 1.00 0.00 H new ATOM 844 N ASP A 55 3.126 4.925 6.347 1.00 0.00 N ATOM 845 CA ASP A 55 1.923 5.470 5.652 1.00 0.00 C ATOM 846 C ASP A 55 1.185 4.390 4.846 1.00 0.00 C ATOM 847 O ASP A 55 -0.019 4.333 4.895 1.00 0.00 O ATOM 848 CB ASP A 55 2.446 6.555 4.722 1.00 0.00 C ATOM 849 CG ASP A 55 1.412 7.677 4.619 1.00 0.00 C ATOM 850 OD1 ASP A 55 1.465 8.582 5.436 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.589 7.616 3.721 1.00 0.00 O ATOM 0 H ASP A 55 3.052 4.871 7.363 1.00 0.00 H new ATOM 0 HA ASP A 55 1.202 5.853 6.374 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.390 6.949 5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.646 6.138 3.735 1.00 0.00 H new ATOM 856 N ILE A 56 1.870 3.552 4.087 1.00 0.00 N ATOM 857 CA ILE A 56 1.134 2.509 3.285 1.00 0.00 C ATOM 858 C ILE A 56 2.041 1.308 2.928 1.00 0.00 C ATOM 859 O ILE A 56 3.249 1.425 2.876 1.00 0.00 O ATOM 860 CB ILE A 56 0.697 3.240 2.013 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.530 4.103 2.320 1.00 0.00 C ATOM 862 CG2 ILE A 56 0.347 2.224 0.923 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.172 4.571 1.012 1.00 0.00 C ATOM 0 H ILE A 56 2.885 3.545 3.990 1.00 0.00 H new ATOM 0 HA ILE A 56 0.298 2.093 3.846 1.00 0.00 H new ATOM 0 HB ILE A 56 1.513 3.873 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.250 3.532 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.240 4.964 2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.037 2.751 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.221 1.611 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.466 1.586 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.045 5.185 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.451 5.158 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.478 3.704 0.426 1.00 0.00 H new ATOM 875 N ALA A 57 1.452 0.156 2.660 1.00 0.00 N ATOM 876 CA ALA A 57 2.266 -1.055 2.282 1.00 0.00 C ATOM 877 C ALA A 57 1.402 -1.999 1.442 1.00 0.00 C ATOM 878 O ALA A 57 0.227 -2.128 1.686 1.00 0.00 O ATOM 879 CB ALA A 57 2.634 -1.728 3.597 1.00 0.00 C ATOM 0 H ALA A 57 0.444 0.004 2.687 1.00 0.00 H new ATOM 0 HA ALA A 57 3.151 -0.793 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.229 -2.619 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.212 -1.037 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.725 -2.011 4.128 1.00 0.00 H new ATOM 885 N ILE A 58 1.938 -2.658 0.450 1.00 0.00 N ATOM 886 CA ILE A 58 1.050 -3.550 -0.353 1.00 0.00 C ATOM 887 C ILE A 58 1.746 -4.824 -0.855 1.00 0.00 C ATOM 888 O ILE A 58 2.398 -4.824 -1.882 1.00 0.00 O ATOM 889 CB ILE A 58 0.615 -2.696 -1.543 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.317 -1.583 -1.062 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.120 -3.572 -2.557 1.00 0.00 C ATOM 892 CD1 ILE A 58 0.520 -0.379 -0.638 1.00 0.00 C ATOM 0 H ILE A 58 2.917 -2.622 0.167 1.00 0.00 H new ATOM 0 HA ILE A 58 0.223 -3.904 0.262 1.00 0.00 H new ATOM 0 HB ILE A 58 1.494 -2.255 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.007 -1.300 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.922 -1.934 -0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.431 -2.963 -3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.544 -4.364 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.998 -4.014 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.138 0.419 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.192 -0.669 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.105 -0.026 -1.487 1.00 0.00 H new ATOM 904 N ILE A 59 1.539 -5.926 -0.179 1.00 0.00 N ATOM 905 CA ILE A 59 2.106 -7.223 -0.659 1.00 0.00 C ATOM 906 C ILE A 59 1.077 -7.816 -1.616 1.00 0.00 C ATOM 907 O ILE A 59 0.445 -8.814 -1.335 1.00 0.00 O ATOM 908 CB ILE A 59 2.233 -8.112 0.576 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.769 -7.317 1.780 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.163 -9.277 0.258 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.851 -6.319 1.358 1.00 0.00 C ATOM 0 H ILE A 59 1.001 -5.983 0.686 1.00 0.00 H new ATOM 0 HA ILE A 59 3.070 -7.121 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 59 1.245 -8.489 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.948 -6.784 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.177 -8.006 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.259 -9.916 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.752 -9.855 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.145 -8.893 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.206 -5.776 2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.683 -6.856 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.435 -5.614 0.638 1.00 0.00 H new ATOM 923 N ASP A 60 0.863 -7.160 -2.713 1.00 0.00 N ATOM 924 CA ASP A 60 -0.176 -7.616 -3.676 1.00 0.00 C ATOM 925 C ASP A 60 -0.044 -9.098 -4.031 1.00 0.00 C ATOM 926 O ASP A 60 0.906 -9.763 -3.676 1.00 0.00 O ATOM 927 CB ASP A 60 0.017 -6.698 -4.896 1.00 0.00 C ATOM 928 CG ASP A 60 -0.237 -7.450 -6.208 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.354 -7.897 -6.410 1.00 0.00 O ATOM 930 OD2 ASP A 60 0.689 -7.553 -6.994 1.00 0.00 O ATOM 0 H ASP A 60 1.367 -6.318 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.180 -7.543 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.662 -5.848 -4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.031 -6.297 -4.895 1.00 0.00 H new ATOM 935 N VAL A 61 -1.044 -9.589 -4.718 1.00 0.00 N ATOM 936 CA VAL A 61 -1.117 -11.017 -5.142 1.00 0.00 C ATOM 937 C VAL A 61 -0.853 -11.969 -3.983 1.00 0.00 C ATOM 938 O VAL A 61 0.107 -11.864 -3.247 1.00 0.00 O ATOM 939 CB VAL A 61 -0.120 -11.200 -6.286 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.321 -11.086 -5.782 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.324 -12.580 -6.911 1.00 0.00 C ATOM 0 H VAL A 61 -1.846 -9.032 -5.013 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.123 -11.262 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.292 -10.417 -7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.010 -11.220 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.475 -10.102 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.506 -11.855 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.384 -12.718 -7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.161 -13.349 -6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.341 -12.659 -7.295 1.00 0.00 H new ATOM 951 N ASN A 62 -1.738 -12.899 -3.833 1.00 0.00 N ATOM 952 CA ASN A 62 -1.634 -13.900 -2.749 1.00 0.00 C ATOM 953 C ASN A 62 -1.980 -15.274 -3.323 1.00 0.00 C ATOM 954 O ASN A 62 -2.443 -16.159 -2.632 1.00 0.00 O ATOM 955 CB ASN A 62 -2.668 -13.440 -1.720 1.00 0.00 C ATOM 956 CG ASN A 62 -4.067 -13.895 -2.154 1.00 0.00 C ATOM 957 OD1 ASN A 62 -4.722 -14.640 -1.452 1.00 0.00 O ATOM 958 ND2 ASN A 62 -4.551 -13.478 -3.294 1.00 0.00 N ATOM 0 H ASN A 62 -2.554 -13.011 -4.434 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.642 -13.980 -2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.429 -13.853 -0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.642 -12.355 -1.624 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.478 -13.778 -3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.001 -12.853 -3.883 1.00 0.00 H new ATOM 965 N LEU A 63 -1.767 -15.439 -4.598 1.00 0.00 N ATOM 966 CA LEU A 63 -2.086 -16.728 -5.260 1.00 0.00 C ATOM 967 C LEU A 63 -0.914 -17.138 -6.150 1.00 0.00 C ATOM 968 O LEU A 63 0.132 -16.521 -6.122 1.00 0.00 O ATOM 969 CB LEU A 63 -3.335 -16.431 -6.093 1.00 0.00 C ATOM 970 CG LEU A 63 -3.078 -15.213 -6.984 1.00 0.00 C ATOM 971 CD1 LEU A 63 -3.739 -15.430 -8.346 1.00 0.00 C ATOM 972 CD2 LEU A 63 -3.675 -13.966 -6.326 1.00 0.00 C ATOM 0 H LEU A 63 -1.380 -14.725 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.257 -17.545 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.590 -17.296 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.185 -16.242 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.004 -15.079 -7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.557 -14.563 -8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.320 -16.319 -8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.813 -15.562 -8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.493 -13.098 -6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.749 -14.102 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.209 -13.810 -5.353 1.00 0.00 H new ATOM 984 N ASP A 64 -1.063 -18.171 -6.932 1.00 0.00 N ATOM 985 CA ASP A 64 0.072 -18.596 -7.799 1.00 0.00 C ATOM 986 C ASP A 64 1.359 -18.597 -6.976 1.00 0.00 C ATOM 987 O ASP A 64 2.446 -18.437 -7.497 1.00 0.00 O ATOM 988 CB ASP A 64 0.149 -17.538 -8.899 1.00 0.00 C ATOM 989 CG ASP A 64 -0.184 -18.176 -10.250 1.00 0.00 C ATOM 990 OD1 ASP A 64 -1.355 -18.225 -10.588 1.00 0.00 O ATOM 991 OD2 ASP A 64 0.738 -18.609 -10.922 1.00 0.00 O ATOM 0 H ASP A 64 -1.910 -18.734 -7.009 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.062 -19.597 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.548 -16.727 -8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.147 -17.101 -8.928 1.00 0.00 H new ATOM 996 N GLY A 65 1.238 -18.759 -5.687 1.00 0.00 N ATOM 997 CA GLY A 65 2.443 -18.752 -4.819 1.00 0.00 C ATOM 998 C GLY A 65 2.086 -18.171 -3.451 1.00 0.00 C ATOM 999 O GLY A 65 2.749 -18.425 -2.465 1.00 0.00 O ATOM 0 H GLY A 65 0.353 -18.896 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.828 -19.765 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.233 -18.161 -5.281 1.00 0.00 H new ATOM 1003 N GLU A 66 1.048 -17.386 -3.385 1.00 0.00 N ATOM 1004 CA GLU A 66 0.657 -16.781 -2.082 1.00 0.00 C ATOM 1005 C GLU A 66 1.870 -16.113 -1.429 1.00 0.00 C ATOM 1006 O GLU A 66 2.219 -16.420 -0.306 1.00 0.00 O ATOM 1007 CB GLU A 66 0.155 -17.951 -1.234 1.00 0.00 C ATOM 1008 CG GLU A 66 -0.926 -18.710 -2.007 1.00 0.00 C ATOM 1009 CD GLU A 66 -2.185 -18.834 -1.146 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -2.064 -18.746 0.066 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -3.250 -19.016 -1.713 1.00 0.00 O ATOM 0 H GLU A 66 0.454 -17.137 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.105 -16.010 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.981 -18.619 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.247 -17.584 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.158 -18.187 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.563 -19.700 -2.282 1.00 0.00 H new ATOM 1018 N PRO A 67 2.476 -15.219 -2.167 1.00 0.00 N ATOM 1019 CA PRO A 67 3.668 -14.497 -1.667 1.00 0.00 C ATOM 1020 C PRO A 67 3.261 -13.310 -0.784 1.00 0.00 C ATOM 1021 O PRO A 67 3.404 -12.166 -1.168 1.00 0.00 O ATOM 1022 CB PRO A 67 4.342 -14.009 -2.946 1.00 0.00 C ATOM 1023 CG PRO A 67 3.251 -13.919 -3.972 1.00 0.00 C ATOM 1024 CD PRO A 67 2.112 -14.801 -3.525 1.00 0.00 C ATOM 0 HA PRO A 67 4.315 -15.120 -1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.816 -13.040 -2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.123 -14.699 -3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.914 -12.888 -4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.619 -14.238 -4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.166 -14.260 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.993 -15.660 -4.185 1.00 0.00 H new ATOM 1032 N SER A 68 2.758 -13.566 0.395 1.00 0.00 N ATOM 1033 CA SER A 68 2.348 -12.438 1.290 1.00 0.00 C ATOM 1034 C SER A 68 2.923 -12.626 2.702 1.00 0.00 C ATOM 1035 O SER A 68 2.820 -11.754 3.540 1.00 0.00 O ATOM 1036 CB SER A 68 0.822 -12.494 1.318 1.00 0.00 C ATOM 1037 OG SER A 68 0.358 -13.231 0.195 1.00 0.00 O ATOM 0 H SER A 68 2.613 -14.500 0.777 1.00 0.00 H new ATOM 0 HA SER A 68 2.718 -11.477 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.481 -12.963 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.409 -11.485 1.301 1.00 0.00 H new ATOM 0 HG SER A 68 -0.582 -13.012 0.025 1.00 0.00 H new ATOM 1043 N TYR A 69 3.530 -13.760 2.956 1.00 0.00 N ATOM 1044 CA TYR A 69 4.129 -14.054 4.298 1.00 0.00 C ATOM 1045 C TYR A 69 3.181 -13.669 5.439 1.00 0.00 C ATOM 1046 O TYR A 69 2.148 -13.057 5.233 1.00 0.00 O ATOM 1047 CB TYR A 69 5.454 -13.265 4.404 1.00 0.00 C ATOM 1048 CG TYR A 69 5.585 -12.219 3.318 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.092 -12.571 2.063 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.209 -10.896 3.573 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.223 -11.600 1.065 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.342 -9.924 2.577 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.847 -10.276 1.321 1.00 0.00 C ATOM 1054 OH TYR A 69 5.980 -9.319 0.337 1.00 0.00 O ATOM 0 H TYR A 69 3.638 -14.511 2.275 1.00 0.00 H new ATOM 0 HA TYR A 69 4.309 -15.125 4.390 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.510 -12.782 5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.293 -13.958 4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.382 -13.592 1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.815 -10.625 4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.615 -11.872 0.096 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.055 -8.902 2.777 1.00 0.00 H new ATOM 0 HH TYR A 69 6.118 -9.757 -0.529 1.00 0.00 H new ATOM 1064 N PRO A 70 3.575 -14.053 6.621 1.00 0.00 N ATOM 1065 CA PRO A 70 2.770 -13.756 7.823 1.00 0.00 C ATOM 1066 C PRO A 70 2.860 -12.268 8.142 1.00 0.00 C ATOM 1067 O PRO A 70 2.184 -11.771 9.018 1.00 0.00 O ATOM 1068 CB PRO A 70 3.428 -14.591 8.918 1.00 0.00 C ATOM 1069 CG PRO A 70 4.834 -14.789 8.454 1.00 0.00 C ATOM 1070 CD PRO A 70 4.801 -14.790 6.947 1.00 0.00 C ATOM 0 HA PRO A 70 1.711 -13.989 7.708 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.397 -14.078 9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.917 -15.545 9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.479 -13.993 8.826 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.237 -15.729 8.832 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.682 -14.305 6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.776 -15.804 6.548 1.00 0.00 H new ATOM 1078 N VAL A 71 3.680 -11.546 7.430 1.00 0.00 N ATOM 1079 CA VAL A 71 3.787 -10.091 7.698 1.00 0.00 C ATOM 1080 C VAL A 71 2.596 -9.391 7.048 1.00 0.00 C ATOM 1081 O VAL A 71 1.749 -8.840 7.717 1.00 0.00 O ATOM 1082 CB VAL A 71 5.108 -9.641 7.069 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.437 -8.224 7.537 1.00 0.00 C ATOM 1084 CG2 VAL A 71 6.236 -10.585 7.499 1.00 0.00 C ATOM 0 H VAL A 71 4.275 -11.900 6.681 1.00 0.00 H new ATOM 0 HA VAL A 71 3.776 -9.852 8.761 1.00 0.00 H new ATOM 0 HB VAL A 71 5.012 -9.660 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.378 -7.902 7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.640 -7.546 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.529 -8.212 8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.174 -10.260 7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.330 -10.569 8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.007 -11.599 7.170 1.00 0.00 H new ATOM 1094 N ALA A 72 2.506 -9.438 5.748 1.00 0.00 N ATOM 1095 CA ALA A 72 1.349 -8.805 5.064 1.00 0.00 C ATOM 1096 C ALA A 72 0.064 -9.199 5.786 1.00 0.00 C ATOM 1097 O ALA A 72 -0.713 -8.362 6.203 1.00 0.00 O ATOM 1098 CB ALA A 72 1.361 -9.391 3.658 1.00 0.00 C ATOM 0 H ALA A 72 3.184 -9.887 5.132 1.00 0.00 H new ATOM 0 HA ALA A 72 1.406 -7.717 5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.534 -8.974 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.304 -9.145 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.254 -10.474 3.714 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.158 -10.474 5.950 1.00 0.00 N ATOM 1105 CA ASP A 73 -1.385 -10.921 6.658 1.00 0.00 C ATOM 1106 C ASP A 73 -1.467 -10.234 8.018 1.00 0.00 C ATOM 1107 O ASP A 73 -2.447 -9.598 8.352 1.00 0.00 O ATOM 1108 CB ASP A 73 -1.215 -12.423 6.827 1.00 0.00 C ATOM 1109 CG ASP A 73 -1.838 -13.147 5.633 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.565 -12.746 4.514 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -2.580 -14.089 5.859 1.00 0.00 O ATOM 0 H ASP A 73 0.456 -11.221 5.625 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.298 -10.677 6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.157 -12.673 6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.689 -12.751 7.752 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.429 -10.345 8.794 1.00 0.00 N ATOM 1117 CA ILE A 74 -0.422 -9.684 10.130 1.00 0.00 C ATOM 1118 C ILE A 74 -0.605 -8.180 9.942 1.00 0.00 C ATOM 1119 O ILE A 74 -1.272 -7.515 10.709 1.00 0.00 O ATOM 1120 CB ILE A 74 0.959 -9.983 10.715 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.986 -11.418 11.250 1.00 0.00 C ATOM 1122 CG2 ILE A 74 1.259 -9.006 11.856 1.00 0.00 C ATOM 1123 CD1 ILE A 74 2.424 -11.809 11.589 1.00 0.00 C ATOM 0 H ILE A 74 0.417 -10.865 8.563 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.220 -10.039 10.783 1.00 0.00 H new ATOM 0 HB ILE A 74 1.713 -9.870 9.936 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.357 -11.499 12.137 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.578 -12.102 10.506 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.244 -9.222 12.270 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.242 -7.985 11.475 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.505 -9.115 12.636 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.443 -12.830 11.970 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.040 -11.745 10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.816 -11.132 12.348 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.011 -7.649 8.913 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.130 -6.196 8.640 1.00 0.00 C ATOM 1137 C LEU A 75 -1.608 -5.830 8.469 1.00 0.00 C ATOM 1138 O LEU A 75 -1.989 -4.678 8.544 1.00 0.00 O ATOM 1139 CB LEU A 75 0.658 -5.999 7.342 1.00 0.00 C ATOM 1140 CG LEU A 75 1.226 -4.580 7.278 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.510 -4.500 8.107 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.543 -4.235 5.822 1.00 0.00 C ATOM 0 H LEU A 75 0.558 -8.167 8.243 1.00 0.00 H new ATOM 0 HA LEU A 75 0.252 -5.563 9.441 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.469 -6.726 7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.010 -6.178 6.484 1.00 0.00 H new ATOM 0 HG LEU A 75 0.495 -3.876 7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.912 -3.488 8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.290 -4.754 9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.244 -5.201 7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.948 -3.225 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.276 -4.942 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.631 -4.293 5.228 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.442 -6.813 8.251 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.894 -6.550 8.087 1.00 0.00 C ATOM 1156 C ALA A 76 -4.625 -6.737 9.424 1.00 0.00 C ATOM 1157 O ALA A 76 -5.633 -6.111 9.680 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.371 -7.582 7.064 1.00 0.00 C ATOM 0 H ALA A 76 -2.172 -7.794 8.180 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.093 -5.530 7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.439 -7.453 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.829 -7.444 6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.185 -8.586 7.446 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.131 -7.601 10.275 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.807 -7.827 11.586 1.00 0.00 C ATOM 1166 C GLU A 77 -4.715 -6.558 12.447 1.00 0.00 C ATOM 1167 O GLU A 77 -5.628 -6.220 13.174 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.070 -9.032 12.210 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.222 -8.614 13.421 1.00 0.00 C ATOM 1170 CD GLU A 77 -4.105 -8.548 14.669 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -5.154 -7.936 14.599 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -3.716 -9.116 15.676 1.00 0.00 O ATOM 0 H GLU A 77 -3.291 -8.158 10.118 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.872 -8.039 11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.797 -9.784 12.517 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.429 -9.495 11.460 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.412 -9.327 13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.762 -7.643 13.237 1.00 0.00 H new ATOM 1179 N ARG A 78 -3.631 -5.843 12.351 1.00 0.00 N ATOM 1180 CA ARG A 78 -3.491 -4.593 13.138 1.00 0.00 C ATOM 1181 C ARG A 78 -3.657 -3.398 12.201 1.00 0.00 C ATOM 1182 O ARG A 78 -4.086 -2.334 12.601 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.084 -4.637 13.739 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.047 -4.343 12.655 1.00 0.00 C ATOM 1185 CD ARG A 78 0.320 -4.869 13.103 1.00 0.00 C ATOM 1186 NE ARG A 78 0.456 -4.424 14.518 1.00 0.00 N ATOM 1187 CZ ARG A 78 1.384 -3.570 14.848 1.00 0.00 C ATOM 1188 NH1 ARG A 78 1.458 -2.417 14.239 1.00 0.00 N ATOM 1189 NH2 ARG A 78 2.241 -3.868 15.786 1.00 0.00 N ATOM 0 H ARG A 78 -2.834 -6.073 11.758 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.240 -4.500 13.924 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.999 -3.906 14.543 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.897 -5.617 14.178 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.341 -4.815 11.717 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.993 -3.270 12.469 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.371 -5.955 13.024 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.121 -4.466 12.483 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.178 -4.788 15.230 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.789 -2.184 13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.184 -1.749 14.498 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.185 -4.769 16.261 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.967 -3.200 16.044 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.340 -3.597 10.948 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.481 -2.525 9.923 1.00 0.00 C ATOM 1205 C ASN A 79 -3.336 -1.123 10.523 1.00 0.00 C ATOM 1206 O ASN A 79 -4.259 -0.574 11.092 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.884 -2.721 9.360 1.00 0.00 C ATOM 1208 CG ASN A 79 -5.868 -2.901 10.514 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.173 -1.960 11.217 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.370 -4.081 10.745 1.00 0.00 N ATOM 0 H ASN A 79 -2.981 -4.480 10.586 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.701 -2.597 9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.169 -1.861 8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.908 -3.593 8.707 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.021 -4.216 11.518 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.112 -4.870 10.152 1.00 0.00 H new ATOM 1217 N VAL A 80 -2.193 -0.529 10.350 1.00 0.00 N ATOM 1218 CA VAL A 80 -1.976 0.864 10.855 1.00 0.00 C ATOM 1219 C VAL A 80 -2.425 1.802 9.727 1.00 0.00 C ATOM 1220 O VAL A 80 -3.116 1.349 8.837 1.00 0.00 O ATOM 1221 CB VAL A 80 -0.461 0.995 11.135 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.260 1.643 12.504 1.00 0.00 C ATOM 1223 CG2 VAL A 80 0.237 -0.373 11.139 1.00 0.00 C ATOM 0 H VAL A 80 -1.390 -0.946 9.878 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.529 1.103 11.764 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.026 1.604 10.342 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.806 1.739 12.708 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.721 2.631 12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.722 1.022 13.272 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.300 -0.239 11.339 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.201 -1.003 11.913 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.108 -0.850 10.167 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.025 3.056 9.723 1.00 0.00 N ATOM 1234 CA PRO A 81 -2.445 3.902 8.592 1.00 0.00 C ATOM 1235 C PRO A 81 -1.781 3.314 7.358 1.00 0.00 C ATOM 1236 O PRO A 81 -0.574 3.188 7.297 1.00 0.00 O ATOM 1237 CB PRO A 81 -1.937 5.291 8.948 1.00 0.00 C ATOM 1238 CG PRO A 81 -0.820 5.049 9.907 1.00 0.00 C ATOM 1239 CD PRO A 81 -1.181 3.800 10.677 1.00 0.00 C ATOM 0 HA PRO A 81 -3.517 3.951 8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.591 5.825 8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.723 5.897 9.399 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.124 4.920 9.378 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.695 5.897 10.580 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.296 3.231 10.962 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.719 4.033 11.596 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.549 2.886 6.403 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.923 2.232 5.225 1.00 0.00 C ATOM 1249 C PHE A 82 -2.942 1.875 4.149 1.00 0.00 C ATOM 1250 O PHE A 82 -3.960 2.516 3.978 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.290 0.957 5.794 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.334 -0.128 5.975 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.651 0.204 6.323 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.975 -1.471 5.811 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.605 -0.804 6.503 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.931 -2.480 5.995 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.243 -2.145 6.342 1.00 0.00 C ATOM 0 H PHE A 82 -3.566 2.958 6.384 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.206 2.895 4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.505 0.605 5.124 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.817 1.176 6.751 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.930 1.239 6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.961 -1.730 5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.620 -0.546 6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.654 -3.516 5.869 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.978 -2.923 6.486 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.640 0.843 3.424 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.521 0.370 2.333 1.00 0.00 C ATOM 1269 C ILE A 83 -2.953 -0.958 1.852 1.00 0.00 C ATOM 1270 O ILE A 83 -1.785 -1.232 2.053 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.424 1.464 1.271 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -4.741 2.241 1.219 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.129 0.876 -0.116 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -4.495 3.610 0.589 1.00 0.00 C ATOM 0 H ILE A 83 -1.791 0.291 3.548 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.562 0.205 2.609 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.603 2.127 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.480 1.688 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.147 2.358 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.067 1.682 -0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.182 0.337 -0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.929 0.191 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.432 4.166 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.770 4.161 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.108 3.481 -0.422 1.00 0.00 H new ATOM 1286 N PHE A 84 -3.753 -1.790 1.250 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.232 -3.107 0.797 1.00 0.00 C ATOM 1288 C PHE A 84 -4.077 -3.655 -0.349 1.00 0.00 C ATOM 1289 O PHE A 84 -5.175 -3.197 -0.611 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.370 -3.987 2.030 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.498 -5.218 1.916 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.907 -6.295 1.120 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.298 -5.297 2.636 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.116 -7.446 1.037 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.512 -6.452 2.556 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.922 -7.525 1.756 1.00 0.00 C ATOM 0 H PHE A 84 -4.739 -1.617 1.053 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.210 -3.054 0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.092 -3.421 2.919 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.411 -4.284 2.155 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.834 -6.237 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.981 -4.468 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.429 -8.273 0.417 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.412 -6.516 3.112 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.314 -8.415 1.695 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.579 -4.643 -1.029 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.359 -5.226 -2.144 1.00 0.00 C ATOM 1308 C ALA A 85 -3.915 -6.668 -2.401 1.00 0.00 C ATOM 1309 O ALA A 85 -2.812 -7.057 -2.082 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.060 -4.340 -3.352 1.00 0.00 C ATOM 0 H ALA A 85 -2.668 -5.070 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.427 -5.259 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.605 -4.712 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.371 -3.317 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.990 -4.358 -3.561 1.00 0.00 H new ATOM 1316 N THR A 86 -4.775 -7.459 -2.977 1.00 0.00 N ATOM 1317 CA THR A 86 -4.429 -8.877 -3.271 1.00 0.00 C ATOM 1318 C THR A 86 -5.676 -9.592 -3.798 1.00 0.00 C ATOM 1319 O THR A 86 -6.604 -8.962 -4.263 1.00 0.00 O ATOM 1320 CB THR A 86 -3.962 -9.482 -1.939 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.032 -10.897 -2.018 1.00 0.00 O ATOM 1322 CG2 THR A 86 -4.859 -8.993 -0.799 1.00 0.00 C ATOM 0 H THR A 86 -5.714 -7.180 -3.260 1.00 0.00 H new ATOM 0 HA THR A 86 -3.650 -8.973 -4.027 1.00 0.00 H new ATOM 0 HB THR A 86 -2.935 -9.172 -1.744 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.364 -11.256 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.521 -9.427 0.142 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.808 -7.906 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.888 -9.297 -0.990 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.703 -10.895 -3.736 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.889 -11.654 -4.239 1.00 0.00 C ATOM 1332 C GLY A 87 -8.188 -10.896 -3.938 1.00 0.00 C ATOM 1333 O GLY A 87 -8.621 -10.062 -4.707 1.00 0.00 O ATOM 0 H GLY A 87 -4.952 -11.472 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.796 -11.813 -5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.921 -12.639 -3.773 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.823 -11.189 -2.832 1.00 0.00 N ATOM 1338 CA TYR A 88 -10.104 -10.496 -2.497 1.00 0.00 C ATOM 1339 C TYR A 88 -9.893 -8.987 -2.323 1.00 0.00 C ATOM 1340 O TYR A 88 -10.837 -8.223 -2.318 1.00 0.00 O ATOM 1341 CB TYR A 88 -10.570 -11.126 -1.182 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.426 -11.167 -0.194 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.876 -9.976 0.294 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -8.922 -12.399 0.245 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -7.825 -10.018 1.220 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.869 -12.438 1.168 1.00 0.00 C ATOM 1347 CZ TYR A 88 -7.322 -11.248 1.656 1.00 0.00 C ATOM 1348 OH TYR A 88 -6.289 -11.286 2.571 1.00 0.00 O ATOM 0 H TYR A 88 -8.511 -11.877 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.839 -10.612 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.399 -10.552 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.941 -12.135 -1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.261 -9.025 -0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.346 -13.319 -0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.403 -9.099 1.598 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.480 -13.388 1.503 1.00 0.00 H new ATOM 0 HH TYR A 88 -6.060 -12.218 2.768 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.675 -8.546 -2.182 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.437 -7.086 -2.011 1.00 0.00 C ATOM 1360 C GLY A 89 -8.630 -6.703 -0.542 1.00 0.00 C ATOM 1361 O GLY A 89 -9.539 -5.976 -0.191 1.00 0.00 O ATOM 0 H GLY A 89 -7.838 -9.129 -2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.428 -6.832 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.125 -6.519 -2.638 1.00 0.00 H new ATOM 1365 N SER A 90 -7.775 -7.185 0.313 1.00 0.00 N ATOM 1366 CA SER A 90 -7.883 -6.855 1.765 1.00 0.00 C ATOM 1367 C SER A 90 -9.239 -7.282 2.335 1.00 0.00 C ATOM 1368 O SER A 90 -10.192 -7.507 1.616 1.00 0.00 O ATOM 1369 CB SER A 90 -7.718 -5.338 1.848 1.00 0.00 C ATOM 1370 OG SER A 90 -6.356 -5.003 1.626 1.00 0.00 O ATOM 0 H SER A 90 -6.998 -7.799 0.069 1.00 0.00 H new ATOM 0 HA SER A 90 -7.129 -7.382 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.350 -4.850 1.106 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.039 -4.978 2.826 1.00 0.00 H new ATOM 0 HG SER A 90 -6.269 -4.538 0.767 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.318 -7.392 3.635 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.589 -7.802 4.291 1.00 0.00 C ATOM 1378 C LYS A 91 -11.229 -6.602 4.994 1.00 0.00 C ATOM 1379 O LYS A 91 -11.217 -6.506 6.205 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.177 -8.854 5.324 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.015 -8.312 6.163 1.00 0.00 C ATOM 1382 CD LYS A 91 -9.264 -8.593 7.648 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.049 -8.137 8.466 1.00 0.00 C ATOM 1384 NZ LYS A 91 -8.592 -7.812 9.816 1.00 0.00 N ATOM 0 H LYS A 91 -8.545 -7.212 4.276 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.317 -8.186 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.022 -9.099 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.880 -9.775 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.081 -8.777 5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.908 -7.240 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.159 -8.069 7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.441 -9.657 7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.294 -8.922 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.572 -7.268 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.819 -7.492 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.303 -7.057 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.034 -8.660 10.226 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.777 -5.680 4.253 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.399 -4.492 4.903 1.00 0.00 C ATOM 1400 C GLY A 92 -11.411 -3.924 5.921 1.00 0.00 C ATOM 1401 O GLY A 92 -11.783 -3.484 6.991 1.00 0.00 O ATOM 0 H GLY A 92 -11.822 -5.696 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.648 -3.739 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.330 -4.773 5.395 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.147 -3.946 5.593 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.110 -3.426 6.530 1.00 0.00 C ATOM 1407 C LEU A 93 -9.594 -2.162 7.247 1.00 0.00 C ATOM 1408 O LEU A 93 -10.370 -1.387 6.724 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.888 -3.131 5.647 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.978 -1.717 5.057 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -6.755 -1.452 4.179 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.244 -1.591 4.206 1.00 0.00 C ATOM 0 H LEU A 93 -9.786 -4.305 4.709 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.879 -4.143 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.975 -3.228 6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.828 -3.864 4.842 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.012 -0.992 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.819 -0.448 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.850 -1.537 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.723 -2.182 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.304 -0.586 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.211 -2.319 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.120 -1.779 4.827 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.128 -1.949 8.442 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.538 -0.737 9.200 1.00 0.00 C ATOM 1426 C ASP A 94 -8.357 0.231 9.289 1.00 0.00 C ATOM 1427 O ASP A 94 -7.241 -0.168 9.554 1.00 0.00 O ATOM 1428 CB ASP A 94 -9.940 -1.257 10.581 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.689 -1.554 11.410 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.023 -0.609 11.801 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.416 -2.720 11.636 1.00 0.00 O ATOM 0 H ASP A 94 -8.477 -2.565 8.930 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.357 -0.193 8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.558 -0.519 11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.542 -2.160 10.478 1.00 0.00 H new ATOM 1436 N THR A 95 -8.580 1.494 9.060 1.00 0.00 N ATOM 1437 CA THR A 95 -7.448 2.460 9.128 1.00 0.00 C ATOM 1438 C THR A 95 -7.955 3.897 9.084 1.00 0.00 C ATOM 1439 O THR A 95 -9.142 4.155 9.080 1.00 0.00 O ATOM 1440 CB THR A 95 -6.611 2.170 7.883 1.00 0.00 C ATOM 1441 OG1 THR A 95 -5.560 3.117 7.793 1.00 0.00 O ATOM 1442 CG2 THR A 95 -7.491 2.258 6.635 1.00 0.00 C ATOM 0 H THR A 95 -9.488 1.897 8.831 1.00 0.00 H new ATOM 0 HA THR A 95 -6.882 2.351 10.053 1.00 0.00 H new ATOM 0 HB THR A 95 -6.192 1.166 7.954 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.400 3.340 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.889 2.050 5.750 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.297 1.527 6.706 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.915 3.259 6.559 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.053 4.834 9.034 1.00 0.00 N ATOM 1451 CA ARG A 96 -7.459 6.261 8.972 1.00 0.00 C ATOM 1452 C ARG A 96 -7.910 6.604 7.557 1.00 0.00 C ATOM 1453 O ARG A 96 -8.294 7.720 7.269 1.00 0.00 O ATOM 1454 CB ARG A 96 -6.197 7.041 9.331 1.00 0.00 C ATOM 1455 CG ARG A 96 -5.614 6.491 10.634 1.00 0.00 C ATOM 1456 CD ARG A 96 -5.609 7.592 11.696 1.00 0.00 C ATOM 1457 NE ARG A 96 -4.440 8.447 11.356 1.00 0.00 N ATOM 1458 CZ ARG A 96 -4.374 9.025 10.187 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -5.261 9.920 9.851 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -3.423 8.705 9.353 1.00 0.00 N ATOM 0 H ARG A 96 -6.046 4.671 9.033 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.287 6.493 9.642 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.464 6.958 8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.430 8.100 9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.204 5.641 10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.600 6.128 10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.536 8.165 11.676 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.514 7.174 12.698 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.691 8.582 12.035 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.006 10.169 10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.209 10.371 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.731 8.003 9.614 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.372 9.157 8.440 1.00 0.00 H new ATOM 1474 N TYR A 97 -7.860 5.653 6.669 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.280 5.929 5.271 1.00 0.00 C ATOM 1476 C TYR A 97 -9.802 5.904 5.154 1.00 0.00 C ATOM 1477 O TYR A 97 -10.431 6.916 4.914 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.670 4.796 4.452 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.189 5.030 4.309 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.354 4.912 5.424 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -5.652 5.369 3.063 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -3.980 5.139 5.297 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.277 5.597 2.935 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.440 5.480 4.051 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.085 5.703 3.924 1.00 0.00 O ATOM 0 H TYR A 97 -7.547 4.699 6.851 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.953 6.912 4.931 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.854 3.839 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.139 4.748 3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -5.770 4.645 6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.297 5.455 2.201 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.336 5.051 6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.861 5.863 1.974 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.597 5.101 4.524 1.00 0.00 H new ATOM 1495 N SER A 98 -10.388 4.747 5.327 1.00 0.00 N ATOM 1496 CA SER A 98 -11.881 4.609 5.228 1.00 0.00 C ATOM 1497 C SER A 98 -12.286 3.150 4.951 1.00 0.00 C ATOM 1498 O SER A 98 -13.408 2.880 4.571 1.00 0.00 O ATOM 1499 CB SER A 98 -12.297 5.485 4.042 1.00 0.00 C ATOM 1500 OG SER A 98 -12.736 6.749 4.522 1.00 0.00 O ATOM 0 H SER A 98 -9.894 3.879 5.535 1.00 0.00 H new ATOM 0 HA SER A 98 -12.362 4.907 6.159 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.458 5.614 3.359 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.095 5.000 3.479 1.00 0.00 H new ATOM 0 HG SER A 98 -11.961 7.278 4.805 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.393 2.205 5.120 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.759 0.784 4.845 1.00 0.00 C ATOM 1508 C ASN A 99 -12.165 0.633 3.374 1.00 0.00 C ATOM 1509 O ASN A 99 -12.746 -0.357 2.975 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.956 0.501 5.759 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.722 1.126 7.138 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.659 1.380 7.869 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.505 1.385 7.526 1.00 0.00 N ATOM 0 H ASN A 99 -10.434 2.356 5.434 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.934 0.095 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.866 0.907 5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.102 -0.575 5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.340 1.801 8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.718 1.172 6.913 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.893 1.631 2.574 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.304 1.572 1.132 1.00 0.00 C ATOM 1522 C ILE A 100 -11.131 1.539 0.112 1.00 0.00 C ATOM 1523 O ILE A 100 -11.355 1.160 -1.021 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.166 2.829 0.906 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -12.416 4.100 1.341 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -14.452 2.716 1.724 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -11.324 4.448 0.328 1.00 0.00 C ATOM 0 H ILE A 100 -11.406 2.483 2.852 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.831 0.635 0.954 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.393 2.899 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.116 4.931 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.973 3.950 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.063 3.604 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.007 1.833 1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.204 2.630 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -10.803 5.349 0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -10.615 3.623 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.775 4.620 -0.649 1.00 0.00 H new ATOM 1539 N PRO A 101 -9.931 1.944 0.485 1.00 0.00 N ATOM 1540 CA PRO A 101 -8.812 1.942 -0.499 1.00 0.00 C ATOM 1541 C PRO A 101 -8.068 0.595 -0.594 1.00 0.00 C ATOM 1542 O PRO A 101 -6.930 0.489 -0.189 1.00 0.00 O ATOM 1543 CB PRO A 101 -7.865 2.994 0.053 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.129 3.039 1.527 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.493 2.443 1.790 1.00 0.00 C ATOM 0 HA PRO A 101 -9.184 2.130 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.827 2.733 -0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.046 3.965 -0.408 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.362 2.482 2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.089 4.067 1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.441 1.640 2.525 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.184 3.189 2.182 1.00 0.00 H new ATOM 1553 N LEU A 102 -8.658 -0.416 -1.171 1.00 0.00 N ATOM 1554 CA LEU A 102 -7.908 -1.706 -1.323 1.00 0.00 C ATOM 1555 C LEU A 102 -8.419 -2.494 -2.532 1.00 0.00 C ATOM 1556 O LEU A 102 -9.412 -2.145 -3.139 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.067 -2.510 -0.016 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.470 -2.377 0.591 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -9.617 -1.010 1.249 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -10.544 -2.549 -0.485 1.00 0.00 C ATOM 0 H LEU A 102 -9.609 -0.412 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.851 -1.508 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.858 -3.562 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.328 -2.169 0.709 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.600 -3.159 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.614 -0.919 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.871 -0.903 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.471 -0.229 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.531 -2.451 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.418 -1.783 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.449 -3.535 -0.939 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.740 -3.549 -2.903 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.199 -4.341 -4.087 1.00 0.00 C ATOM 1574 C LEU A 103 -7.147 -5.358 -4.524 1.00 0.00 C ATOM 1575 O LEU A 103 -6.278 -5.729 -3.770 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.391 -3.317 -5.199 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.847 -3.316 -5.654 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -9.971 -2.451 -6.902 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.290 -4.742 -5.987 1.00 0.00 C ATOM 0 H LEU A 103 -6.897 -3.895 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.106 -4.899 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.110 -2.325 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.738 -3.552 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.477 -2.922 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.008 -2.442 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.655 -1.433 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.338 -2.858 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.331 -4.733 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.664 -5.140 -6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.191 -5.370 -5.102 1.00 0.00 H new ATOM 1591 N THR A 104 -7.228 -5.799 -5.754 1.00 0.00 N ATOM 1592 CA THR A 104 -6.247 -6.782 -6.275 1.00 0.00 C ATOM 1593 C THR A 104 -5.503 -6.189 -7.474 1.00 0.00 C ATOM 1594 O THR A 104 -5.068 -6.896 -8.363 1.00 0.00 O ATOM 1595 CB THR A 104 -7.081 -7.997 -6.693 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.214 -9.077 -7.005 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.935 -7.657 -7.919 1.00 0.00 C ATOM 0 H THR A 104 -7.943 -5.513 -6.423 1.00 0.00 H new ATOM 0 HA THR A 104 -5.492 -7.051 -5.536 1.00 0.00 H new ATOM 0 HB THR A 104 -7.739 -8.277 -5.871 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.483 -8.756 -7.573 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.523 -8.529 -8.206 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.604 -6.831 -7.678 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.286 -7.369 -8.746 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.364 -4.890 -7.501 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.656 -4.217 -8.629 1.00 0.00 C ATOM 1607 C LYS A 105 -5.394 -4.382 -9.972 1.00 0.00 C ATOM 1608 O LYS A 105 -4.757 -4.478 -11.002 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.279 -4.889 -8.682 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.249 -3.994 -7.993 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.138 -4.867 -7.412 1.00 0.00 C ATOM 1612 CE LYS A 105 0.135 -4.695 -8.240 1.00 0.00 C ATOM 1613 NZ LYS A 105 0.175 -5.896 -9.115 1.00 0.00 N ATOM 0 H LYS A 105 -5.715 -4.259 -6.781 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.596 -3.141 -8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.318 -5.862 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.988 -5.066 -9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.834 -3.281 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.724 -3.414 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.949 -4.591 -6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.446 -5.913 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.106 -3.777 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 105 1.018 -4.638 -7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.848 -5.737 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.477 -6.721 -8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.772 -6.071 -9.508 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.711 -4.377 -9.941 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.480 -4.488 -11.202 1.00 0.00 C ATOM 1629 C PRO A 106 -7.536 -3.116 -11.879 1.00 0.00 C ATOM 1630 O PRO A 106 -8.120 -2.952 -12.931 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.873 -4.899 -10.744 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.990 -4.390 -9.341 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.596 -4.277 -8.772 1.00 0.00 C ATOM 0 HA PRO A 106 -7.047 -5.191 -11.914 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.642 -4.467 -11.385 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.997 -5.981 -10.782 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.488 -3.420 -9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.595 -5.068 -8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.457 -3.331 -8.249 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.395 -5.072 -8.053 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.947 -2.123 -11.267 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.980 -0.758 -11.856 1.00 0.00 C ATOM 1643 C PHE A 107 -8.433 -0.321 -12.041 1.00 0.00 C ATOM 1644 O PHE A 107 -9.349 -1.084 -11.802 1.00 0.00 O ATOM 1645 CB PHE A 107 -6.237 -0.878 -13.185 1.00 0.00 C ATOM 1646 CG PHE A 107 -4.757 -0.871 -12.892 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -4.150 0.297 -12.415 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -3.997 -2.032 -13.069 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.784 0.306 -12.116 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -2.627 -2.024 -12.772 1.00 0.00 C ATOM 1651 CZ PHE A 107 -2.020 -0.853 -12.294 1.00 0.00 C ATOM 0 H PHE A 107 -6.444 -2.201 -10.383 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.511 -0.004 -11.224 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.520 -1.797 -13.698 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.499 -0.051 -13.845 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.738 1.193 -12.278 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.465 -2.934 -13.434 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.318 1.208 -11.747 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.039 -2.919 -12.911 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.965 -0.846 -12.064 1.00 0.00 H new ATOM 1661 N LEU A 108 -8.664 0.904 -12.420 1.00 0.00 N ATOM 1662 CA LEU A 108 -10.071 1.368 -12.561 1.00 0.00 C ATOM 1663 C LEU A 108 -10.723 1.340 -11.175 1.00 0.00 C ATOM 1664 O LEU A 108 -11.086 0.295 -10.676 1.00 0.00 O ATOM 1665 CB LEU A 108 -10.745 0.355 -13.495 1.00 0.00 C ATOM 1666 CG LEU A 108 -11.965 0.985 -14.191 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -12.993 -0.108 -14.489 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -12.611 2.045 -13.290 1.00 0.00 C ATOM 0 H LEU A 108 -7.948 1.598 -12.636 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.153 2.379 -12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.031 0.011 -14.243 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -11.057 -0.521 -12.926 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.636 1.459 -15.116 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.860 0.332 -14.982 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.547 -0.859 -15.141 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.306 -0.577 -13.556 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.472 2.479 -13.799 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.936 1.582 -12.358 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.885 2.828 -13.072 1.00 0.00 H new ATOM 1680 N ASP A 109 -10.842 2.472 -10.534 1.00 0.00 N ATOM 1681 CA ASP A 109 -11.436 2.496 -9.163 1.00 0.00 C ATOM 1682 C ASP A 109 -10.458 1.859 -8.171 1.00 0.00 C ATOM 1683 O ASP A 109 -10.777 1.642 -7.019 1.00 0.00 O ATOM 1684 CB ASP A 109 -12.721 1.668 -9.251 1.00 0.00 C ATOM 1685 CG ASP A 109 -13.662 2.071 -8.115 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -14.121 3.201 -8.125 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -13.904 1.243 -7.253 1.00 0.00 O ATOM 0 H ASP A 109 -10.555 3.380 -10.899 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.641 3.511 -8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.205 1.829 -10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.488 0.605 -9.185 1.00 0.00 H new ATOM 1692 N SER A 110 -9.265 1.557 -8.615 1.00 0.00 N ATOM 1693 CA SER A 110 -8.260 0.932 -7.707 1.00 0.00 C ATOM 1694 C SER A 110 -7.316 1.999 -7.141 1.00 0.00 C ATOM 1695 O SER A 110 -7.682 2.753 -6.261 1.00 0.00 O ATOM 1696 CB SER A 110 -7.500 -0.060 -8.588 1.00 0.00 C ATOM 1697 OG SER A 110 -6.521 -0.726 -7.803 1.00 0.00 O ATOM 0 H SER A 110 -8.944 1.717 -9.570 1.00 0.00 H new ATOM 0 HA SER A 110 -8.722 0.442 -6.850 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.191 -0.784 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.024 0.462 -9.418 1.00 0.00 H new ATOM 0 HG SER A 110 -6.032 -1.365 -8.363 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.103 2.073 -7.628 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.156 3.095 -7.099 1.00 0.00 C ATOM 1705 C GLU A 111 -5.869 4.441 -6.947 1.00 0.00 C ATOM 1706 O GLU A 111 -5.524 5.251 -6.108 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.041 3.185 -8.141 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.631 3.528 -9.510 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.683 4.472 -10.251 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -2.510 4.485 -9.917 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -4.148 5.169 -11.138 1.00 0.00 O ATOM 0 H GLU A 111 -5.731 1.473 -8.364 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.766 2.830 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.318 3.945 -7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.504 2.238 -8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.783 2.618 -10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.608 3.997 -9.390 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.876 4.678 -7.740 1.00 0.00 N ATOM 1719 CA LEU A 112 -7.617 5.964 -7.626 1.00 0.00 C ATOM 1720 C LEU A 112 -8.255 6.038 -6.243 1.00 0.00 C ATOM 1721 O LEU A 112 -7.961 6.918 -5.459 1.00 0.00 O ATOM 1722 CB LEU A 112 -8.676 5.911 -8.726 1.00 0.00 C ATOM 1723 CG LEU A 112 -7.985 5.666 -10.070 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -8.981 5.068 -11.067 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -7.452 6.992 -10.616 1.00 0.00 C ATOM 0 H LEU A 112 -7.217 4.040 -8.459 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.982 6.843 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.393 5.116 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.236 6.846 -8.755 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.159 4.969 -9.927 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.482 4.896 -12.021 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.360 4.122 -10.680 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.811 5.759 -11.211 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.960 6.820 -11.573 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.280 7.688 -10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.736 7.415 -9.911 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.098 5.097 -5.922 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.714 5.098 -4.572 1.00 0.00 C ATOM 1739 C GLU A 113 -8.598 5.059 -3.536 1.00 0.00 C ATOM 1740 O GLU A 113 -8.774 5.432 -2.394 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.550 3.820 -4.508 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.968 4.130 -4.974 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.919 3.038 -4.481 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.437 1.974 -4.128 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -14.114 3.285 -4.465 1.00 0.00 O ATOM 0 H GLU A 113 -9.384 4.333 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.327 5.978 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.107 3.049 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.565 3.431 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.283 5.101 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.999 4.190 -6.062 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.440 4.620 -3.943 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.294 4.568 -2.998 1.00 0.00 C ATOM 1754 C ALA A 114 -5.975 5.983 -2.527 1.00 0.00 C ATOM 1755 O ALA A 114 -5.543 6.201 -1.412 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.136 3.999 -3.817 1.00 0.00 C ATOM 0 H ALA A 114 -7.239 4.295 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.495 3.963 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.247 3.928 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.402 3.007 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.932 4.655 -4.663 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.186 6.948 -3.379 1.00 0.00 N ATOM 1763 CA VAL A 115 -5.898 8.361 -2.993 1.00 0.00 C ATOM 1764 C VAL A 115 -7.206 9.126 -2.756 1.00 0.00 C ATOM 1765 O VAL A 115 -7.377 9.790 -1.752 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.126 8.965 -4.172 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -4.251 10.114 -3.668 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.233 7.898 -4.815 1.00 0.00 C ATOM 0 H VAL A 115 -6.545 6.821 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.324 8.418 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.836 9.334 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.701 10.546 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.881 10.879 -3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.547 9.737 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.688 8.335 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.524 7.524 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.851 7.075 -5.175 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.125 9.044 -3.680 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.421 9.770 -3.519 1.00 0.00 C ATOM 1780 C LEU A 116 -10.136 9.323 -2.242 1.00 0.00 C ATOM 1781 O LEU A 116 -11.008 9.995 -1.734 1.00 0.00 O ATOM 1782 CB LEU A 116 -10.239 9.382 -4.748 1.00 0.00 C ATOM 1783 CG LEU A 116 -9.937 10.355 -5.883 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -10.162 9.658 -7.223 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -10.867 11.563 -5.772 1.00 0.00 C ATOM 0 H LEU A 116 -8.035 8.505 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.279 10.848 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.998 8.364 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.303 9.400 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 116 -8.900 10.685 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.946 10.352 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.502 8.794 -7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -11.199 9.329 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -10.655 12.261 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.903 11.232 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.707 12.058 -4.814 1.00 0.00 H new ATOM 1797 N VAL A 117 -9.776 8.185 -1.734 1.00 0.00 N ATOM 1798 CA VAL A 117 -10.426 7.662 -0.497 1.00 0.00 C ATOM 1799 C VAL A 117 -10.723 8.784 0.515 1.00 0.00 C ATOM 1800 O VAL A 117 -11.736 8.763 1.186 1.00 0.00 O ATOM 1801 CB VAL A 117 -9.414 6.658 0.077 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -7.985 7.163 -0.151 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -9.654 6.485 1.579 1.00 0.00 C ATOM 0 H VAL A 117 -9.051 7.583 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.392 7.206 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.543 5.701 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -7.275 6.445 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.806 7.279 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.855 8.125 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.935 5.772 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.533 7.446 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.665 6.114 1.745 1.00 0.00 H new ATOM 1813 N GLN A 118 -9.850 9.743 0.662 1.00 0.00 N ATOM 1814 CA GLN A 118 -10.108 10.818 1.665 1.00 0.00 C ATOM 1815 C GLN A 118 -11.091 11.864 1.138 1.00 0.00 C ATOM 1816 O GLN A 118 -11.248 12.919 1.720 1.00 0.00 O ATOM 1817 CB GLN A 118 -8.748 11.454 1.944 1.00 0.00 C ATOM 1818 CG GLN A 118 -8.204 10.918 3.270 1.00 0.00 C ATOM 1819 CD GLN A 118 -9.234 11.145 4.380 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -9.266 12.196 4.989 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -10.080 10.196 4.672 1.00 0.00 N ATOM 0 H GLN A 118 -8.979 9.830 0.138 1.00 0.00 H new ATOM 0 HA GLN A 118 -10.563 10.407 2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -8.054 11.227 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -8.843 12.539 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.981 9.855 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.269 11.420 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -10.053 9.314 4.161 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -10.768 10.336 5.412 1.00 0.00 H new ATOM 1830 N ILE A 119 -11.770 11.589 0.063 1.00 0.00 N ATOM 1831 CA ILE A 119 -12.749 12.584 -0.453 1.00 0.00 C ATOM 1832 C ILE A 119 -14.153 12.222 0.035 1.00 0.00 C ATOM 1833 O ILE A 119 -15.136 12.432 -0.648 1.00 0.00 O ATOM 1834 CB ILE A 119 -12.657 12.503 -1.976 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -13.185 11.149 -2.452 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -11.199 12.675 -2.410 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -14.591 11.331 -3.028 1.00 0.00 C ATOM 0 H ILE A 119 -11.692 10.727 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 119 -12.538 13.595 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.259 13.296 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.520 10.732 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -13.208 10.442 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -11.134 12.617 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -10.832 13.645 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -10.592 11.885 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.972 10.368 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -15.251 11.730 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.553 12.024 -3.868 1.00 0.00 H new ATOM 1849 N SER A 120 -14.250 11.680 1.221 1.00 0.00 N ATOM 1850 CA SER A 120 -15.589 11.301 1.768 1.00 0.00 C ATOM 1851 C SER A 120 -16.172 10.124 0.981 1.00 0.00 C ATOM 1852 O SER A 120 -16.378 9.052 1.514 1.00 0.00 O ATOM 1853 CB SER A 120 -16.458 12.547 1.598 1.00 0.00 C ATOM 1854 OG SER A 120 -15.666 13.705 1.829 1.00 0.00 O ATOM 0 H SER A 120 -13.460 11.483 1.836 1.00 0.00 H new ATOM 0 HA SER A 120 -15.532 10.986 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 120 -16.881 12.576 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 120 -17.295 12.519 2.296 1.00 0.00 H new ATOM 0 HG SER A 120 -16.219 14.507 1.719 1.00 0.00 H new ATOM 1860 N LYS A 121 -16.438 10.316 -0.283 1.00 0.00 N ATOM 1861 CA LYS A 121 -17.006 9.207 -1.106 1.00 0.00 C ATOM 1862 C LYS A 121 -18.400 8.831 -0.597 1.00 0.00 C ATOM 1863 O LYS A 121 -18.547 7.975 0.253 1.00 0.00 O ATOM 1864 CB LYS A 121 -16.032 8.036 -0.932 1.00 0.00 C ATOM 1865 CG LYS A 121 -15.256 7.822 -2.232 1.00 0.00 C ATOM 1866 CD LYS A 121 -14.114 6.832 -1.990 1.00 0.00 C ATOM 1867 CE LYS A 121 -14.637 5.403 -2.167 1.00 0.00 C ATOM 1868 NZ LYS A 121 -14.837 4.893 -0.783 1.00 0.00 N ATOM 0 H LYS A 121 -16.287 11.193 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 121 -17.116 9.487 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -15.342 8.241 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -16.578 7.130 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -15.922 7.442 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -14.858 8.771 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -13.299 7.022 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -13.711 6.962 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -15.570 5.391 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -13.925 4.787 -2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -14.963 3.861 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -14.006 5.126 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.683 5.335 -0.369 1.00 0.00 H new ATOM 1882 N GLU A 122 -19.419 9.480 -1.104 1.00 0.00 N ATOM 1883 CA GLU A 122 -20.810 9.181 -0.652 1.00 0.00 C ATOM 1884 C GLU A 122 -20.807 8.977 0.857 1.00 0.00 C ATOM 1885 O GLU A 122 -21.583 8.221 1.407 1.00 0.00 O ATOM 1886 CB GLU A 122 -21.217 7.902 -1.394 1.00 0.00 C ATOM 1887 CG GLU A 122 -20.477 6.696 -0.811 1.00 0.00 C ATOM 1888 CD GLU A 122 -21.146 5.407 -1.289 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -22.141 5.022 -0.696 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -20.652 4.824 -2.241 1.00 0.00 O ATOM 0 H GLU A 122 -19.345 10.207 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 122 -21.512 9.987 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -22.294 7.752 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -20.989 8.000 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -19.432 6.712 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -20.487 6.741 0.278 1.00 0.00 H new ATOM 1897 N VAL A 123 -19.919 9.654 1.522 1.00 0.00 N ATOM 1898 CA VAL A 123 -19.817 9.528 2.997 1.00 0.00 C ATOM 1899 C VAL A 123 -19.547 8.074 3.389 1.00 0.00 C ATOM 1900 O VAL A 123 -20.505 7.362 3.640 1.00 0.00 O ATOM 1901 CB VAL A 123 -21.161 9.987 3.539 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -21.138 9.933 5.067 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -21.440 11.422 3.084 1.00 0.00 C ATOM 0 H VAL A 123 -19.250 10.298 1.100 1.00 0.00 H new ATOM 0 HA VAL A 123 -18.997 10.123 3.400 1.00 0.00 H new ATOM 0 HB VAL A 123 -21.945 9.331 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -22.101 10.262 5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -20.945 8.911 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -20.352 10.588 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -22.404 11.747 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -20.656 12.081 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -21.458 11.461 1.995 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 2.030 -10.296 -9.310 1.00 0.00 CA HETATM 1915 BE BEF A 202 -0.450 -8.205 -8.486 1.00 0.00 BE HETATM 1916 F1 BEF A 202 1.016 -9.103 -8.294 1.00 0.00 F HETATM 1917 F2 BEF A 202 0.355 -8.047 -9.728 1.00 0.00 F HETATM 1918 F3 BEF A 202 -1.008 -9.410 -8.377 1.00 0.00 F