USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 819 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 1 GLY N :NH3+ -174:sc= 0 (180deg=-0.0292) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.608 F(o=-2.4,f=-0.61) USER MOD Single : A 24 SER OG : rot 180:sc= -0.002 USER MOD Single : A 25 SER OG : rot 35:sc= -0.287 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.878! C(o=-1.7!,f=-0.88!) USER MOD Single : A 29 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.741 F(o=-3!,f=-0.74) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.05 X(o=-1,f=-1!) USER MOD Single : A 50 THR OG1 : rot -160:sc= -0.112 USER MOD Single : A 51 TYR OH : rot 130:sc= -2.44! USER MOD Single : A 53 ASN :FLIP amide:sc= 0.618 F(o=0,f=0.62) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 4:sc= -0.447 USER MOD Single : A 59 MET CE :methyl 153:sc= -7.3! (180deg=-12.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 46:sc= 0.0562 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00662 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.445 -15.256 -5.693 1.00 0.00 N ATOM 2 CA GLY A 1 -2.735 -16.178 -6.776 1.00 0.00 C ATOM 3 C GLY A 1 -3.804 -17.187 -6.408 1.00 0.00 C ATOM 4 O GLY A 1 -4.684 -17.491 -7.214 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.784 -14.526 -6.027 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.327 -14.806 -5.375 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.016 -15.775 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.057 -15.615 -7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.822 -16.705 -7.054 1.00 0.00 H new ATOM 8 N SER A 2 -3.727 -17.710 -5.188 1.00 0.00 N ATOM 9 CA SER A 2 -4.693 -18.696 -4.718 1.00 0.00 C ATOM 10 C SER A 2 -5.334 -18.246 -3.408 1.00 0.00 C ATOM 11 O SER A 2 -6.547 -18.355 -3.228 1.00 0.00 O ATOM 12 CB SER A 2 -4.016 -20.054 -4.527 1.00 0.00 C ATOM 13 OG SER A 2 -3.916 -20.752 -5.756 1.00 0.00 O ATOM 0 H SER A 2 -3.006 -17.468 -4.508 1.00 0.00 H new ATOM 0 HA SER A 2 -5.475 -18.791 -5.472 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.021 -19.912 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.584 -20.650 -3.812 1.00 0.00 H new ATOM 0 HG SER A 2 -3.478 -21.616 -5.607 1.00 0.00 H new ATOM 19 N SER A 3 -4.510 -17.740 -2.496 1.00 0.00 N ATOM 20 CA SER A 3 -4.994 -17.276 -1.201 1.00 0.00 C ATOM 21 C SER A 3 -5.755 -15.962 -1.345 1.00 0.00 C ATOM 22 O SER A 3 -5.426 -15.130 -2.189 1.00 0.00 O ATOM 23 CB SER A 3 -3.825 -17.099 -0.230 1.00 0.00 C ATOM 24 OG SER A 3 -4.269 -16.584 1.013 1.00 0.00 O ATOM 0 H SER A 3 -3.504 -17.641 -2.630 1.00 0.00 H new ATOM 0 HA SER A 3 -5.676 -18.028 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.329 -18.057 -0.074 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.087 -16.425 -0.664 1.00 0.00 H new ATOM 0 HG SER A 3 -3.504 -16.482 1.617 1.00 0.00 H new ATOM 30 N GLY A 4 -6.775 -15.782 -0.511 1.00 0.00 N ATOM 31 CA GLY A 4 -7.568 -14.568 -0.560 1.00 0.00 C ATOM 32 C GLY A 4 -9.057 -14.849 -0.617 1.00 0.00 C ATOM 33 O GLY A 4 -9.838 -14.246 0.119 1.00 0.00 O ATOM 0 H GLY A 4 -7.066 -16.456 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.350 -13.960 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.278 -13.983 -1.433 1.00 0.00 H new ATOM 37 N SER A 5 -9.451 -15.767 -1.493 1.00 0.00 N ATOM 38 CA SER A 5 -10.857 -16.122 -1.647 1.00 0.00 C ATOM 39 C SER A 5 -11.497 -16.405 -0.291 1.00 0.00 C ATOM 40 O SER A 5 -10.850 -16.924 0.617 1.00 0.00 O ATOM 41 CB SER A 5 -10.999 -17.346 -2.555 1.00 0.00 C ATOM 42 OG SER A 5 -12.361 -17.701 -2.722 1.00 0.00 O ATOM 0 H SER A 5 -8.817 -16.278 -2.107 1.00 0.00 H new ATOM 0 HA SER A 5 -11.372 -15.277 -2.104 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.553 -17.136 -3.527 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.451 -18.186 -2.128 1.00 0.00 H new ATOM 0 HG SER A 5 -12.425 -18.484 -3.307 1.00 0.00 H new ATOM 48 N SER A 6 -12.774 -16.057 -0.163 1.00 0.00 N ATOM 49 CA SER A 6 -13.502 -16.269 1.082 1.00 0.00 C ATOM 50 C SER A 6 -13.402 -17.724 1.530 1.00 0.00 C ATOM 51 O SER A 6 -12.906 -18.578 0.797 1.00 0.00 O ATOM 52 CB SER A 6 -14.971 -15.876 0.912 1.00 0.00 C ATOM 53 OG SER A 6 -15.587 -16.636 -0.113 1.00 0.00 O ATOM 0 H SER A 6 -13.325 -15.627 -0.906 1.00 0.00 H new ATOM 0 HA SER A 6 -13.051 -15.639 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.502 -16.028 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.042 -14.815 0.674 1.00 0.00 H new ATOM 0 HG SER A 6 -16.525 -16.367 -0.201 1.00 0.00 H new ATOM 59 N GLY A 7 -13.879 -17.999 2.741 1.00 0.00 N ATOM 60 CA GLY A 7 -13.834 -19.351 3.266 1.00 0.00 C ATOM 61 C GLY A 7 -14.367 -19.440 4.682 1.00 0.00 C ATOM 62 O GLY A 7 -15.369 -20.109 4.934 1.00 0.00 O ATOM 0 H GLY A 7 -14.295 -17.310 3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.416 -20.008 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.806 -19.712 3.245 1.00 0.00 H new ATOM 66 N ARG A 8 -13.695 -18.766 5.610 1.00 0.00 N ATOM 67 CA ARG A 8 -14.106 -18.775 7.009 1.00 0.00 C ATOM 68 C ARG A 8 -15.325 -17.882 7.223 1.00 0.00 C ATOM 69 O ARG A 8 -15.288 -16.685 6.938 1.00 0.00 O ATOM 70 CB ARG A 8 -12.956 -18.308 7.903 1.00 0.00 C ATOM 71 CG ARG A 8 -11.931 -19.393 8.193 1.00 0.00 C ATOM 72 CD ARG A 8 -12.364 -20.272 9.355 1.00 0.00 C ATOM 73 NE ARG A 8 -11.299 -21.174 9.786 1.00 0.00 N ATOM 74 CZ ARG A 8 -11.265 -21.753 10.981 1.00 0.00 C ATOM 75 NH1 ARG A 8 -12.232 -21.526 11.859 1.00 0.00 N ATOM 76 NH2 ARG A 8 -10.262 -22.561 11.299 1.00 0.00 N ATOM 0 H ARG A 8 -12.864 -18.207 5.418 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.374 -19.797 7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.456 -17.465 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.364 -17.944 8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.789 -20.007 7.304 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.969 -18.934 8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.667 -19.643 10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.237 -20.856 9.062 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.540 -21.370 9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.005 -20.905 11.618 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.203 -21.972 12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.516 -22.738 10.626 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.236 -23.005 12.217 1.00 0.00 H new ATOM 90 N ASP A 9 -16.403 -18.473 7.726 1.00 0.00 N ATOM 91 CA ASP A 9 -17.633 -17.733 7.979 1.00 0.00 C ATOM 92 C ASP A 9 -17.330 -16.366 8.586 1.00 0.00 C ATOM 93 O ASP A 9 -17.635 -15.331 7.993 1.00 0.00 O ATOM 94 CB ASP A 9 -18.549 -18.527 8.912 1.00 0.00 C ATOM 95 CG ASP A 9 -19.798 -17.755 9.291 1.00 0.00 C ATOM 96 OD1 ASP A 9 -20.175 -16.831 8.541 1.00 0.00 O ATOM 97 OD2 ASP A 9 -20.398 -18.075 10.339 1.00 0.00 O ATOM 0 H ASP A 9 -16.450 -19.463 7.967 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.140 -17.583 7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.835 -19.461 8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.001 -18.792 9.816 1.00 0.00 H new ATOM 102 N ARG A 10 -16.729 -16.371 9.771 1.00 0.00 N ATOM 103 CA ARG A 10 -16.387 -15.132 10.459 1.00 0.00 C ATOM 104 C ARG A 10 -15.029 -14.611 9.997 1.00 0.00 C ATOM 105 O ARG A 10 -14.016 -15.299 10.115 1.00 0.00 O ATOM 106 CB ARG A 10 -16.372 -15.352 11.973 1.00 0.00 C ATOM 107 CG ARG A 10 -16.616 -14.084 12.775 1.00 0.00 C ATOM 108 CD ARG A 10 -17.302 -14.386 14.098 1.00 0.00 C ATOM 109 NE ARG A 10 -16.467 -15.204 14.973 1.00 0.00 N ATOM 110 CZ ARG A 10 -16.952 -15.978 15.938 1.00 0.00 C ATOM 111 NH1 ARG A 10 -18.259 -16.039 16.151 1.00 0.00 N ATOM 112 NH2 ARG A 10 -16.128 -16.694 16.693 1.00 0.00 N ATOM 0 H ARG A 10 -16.469 -17.219 10.275 1.00 0.00 H new ATOM 0 HA ARG A 10 -17.145 -14.388 10.214 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.133 -16.088 12.232 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.409 -15.774 12.261 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.667 -13.582 12.962 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -17.231 -13.397 12.194 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.547 -13.451 14.601 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.243 -14.902 13.909 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.457 -15.180 14.836 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.896 -15.491 15.573 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.628 -16.634 16.893 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.122 -16.650 16.533 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.501 -17.288 17.434 1.00 0.00 H new ATOM 126 N SER A 11 -15.019 -13.391 9.469 1.00 0.00 N ATOM 127 CA SER A 11 -13.787 -12.779 8.984 1.00 0.00 C ATOM 128 C SER A 11 -13.368 -11.618 9.881 1.00 0.00 C ATOM 129 O SER A 11 -13.784 -10.477 9.676 1.00 0.00 O ATOM 130 CB SER A 11 -13.968 -12.288 7.547 1.00 0.00 C ATOM 131 OG SER A 11 -14.334 -13.352 6.686 1.00 0.00 O ATOM 0 H SER A 11 -15.849 -12.807 9.366 1.00 0.00 H new ATOM 0 HA SER A 11 -13.002 -13.535 9.006 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.734 -11.513 7.518 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.042 -11.834 7.195 1.00 0.00 H new ATOM 0 HG SER A 11 -14.445 -13.011 5.774 1.00 0.00 H new ATOM 137 N THR A 12 -12.541 -11.917 10.878 1.00 0.00 N ATOM 138 CA THR A 12 -12.065 -10.901 11.808 1.00 0.00 C ATOM 139 C THR A 12 -11.682 -9.620 11.074 1.00 0.00 C ATOM 140 O THR A 12 -11.265 -9.659 9.916 1.00 0.00 O ATOM 141 CB THR A 12 -10.851 -11.400 12.614 1.00 0.00 C ATOM 142 OG1 THR A 12 -11.023 -12.780 12.954 1.00 0.00 O ATOM 143 CG2 THR A 12 -10.668 -10.579 13.881 1.00 0.00 C ATOM 0 H THR A 12 -12.187 -12.856 11.062 1.00 0.00 H new ATOM 0 HA THR A 12 -12.886 -10.692 12.494 1.00 0.00 H new ATOM 0 HB THR A 12 -9.961 -11.287 11.996 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.246 -13.090 13.465 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.805 -10.950 14.433 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.508 -9.534 13.617 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.560 -10.664 14.502 1.00 0.00 H new ATOM 151 N ILE A 13 -11.825 -8.488 11.755 1.00 0.00 N ATOM 152 CA ILE A 13 -11.491 -7.197 11.168 1.00 0.00 C ATOM 153 C ILE A 13 -10.089 -6.755 11.572 1.00 0.00 C ATOM 154 O ILE A 13 -9.543 -7.224 12.570 1.00 0.00 O ATOM 155 CB ILE A 13 -12.500 -6.111 11.586 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.933 -6.605 11.372 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.254 -4.829 10.805 1.00 0.00 C ATOM 158 CD1 ILE A 13 -14.979 -5.722 12.014 1.00 0.00 C ATOM 0 H ILE A 13 -12.170 -8.439 12.714 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.532 -7.323 10.086 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.363 -5.899 12.646 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.130 -6.669 10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.025 -7.614 11.774 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.975 -4.072 11.112 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.244 -4.470 11.004 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.366 -5.025 9.739 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.970 -6.133 11.821 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.807 -5.678 13.089 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.915 -4.718 11.595 1.00 0.00 H new ATOM 170 N ALA A 14 -9.512 -5.848 10.790 1.00 0.00 N ATOM 171 CA ALA A 14 -8.175 -5.339 11.069 1.00 0.00 C ATOM 172 C ALA A 14 -8.146 -3.815 11.016 1.00 0.00 C ATOM 173 O ALA A 14 -8.887 -3.197 10.252 1.00 0.00 O ATOM 174 CB ALA A 14 -7.173 -5.923 10.084 1.00 0.00 C ATOM 0 H ALA A 14 -9.950 -5.451 9.959 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.898 -5.646 12.077 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.178 -5.535 10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.166 -7.009 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.456 -5.644 9.069 1.00 0.00 H new ATOM 180 N ARG A 15 -7.285 -3.216 11.832 1.00 0.00 N ATOM 181 CA ARG A 15 -7.161 -1.764 11.879 1.00 0.00 C ATOM 182 C ARG A 15 -5.886 -1.304 11.178 1.00 0.00 C ATOM 183 O ARG A 15 -4.778 -1.586 11.636 1.00 0.00 O ATOM 184 CB ARG A 15 -7.161 -1.277 13.330 1.00 0.00 C ATOM 185 CG ARG A 15 -8.546 -0.938 13.858 1.00 0.00 C ATOM 186 CD ARG A 15 -8.469 -0.153 15.158 1.00 0.00 C ATOM 187 NE ARG A 15 -8.428 1.288 14.925 1.00 0.00 N ATOM 188 CZ ARG A 15 -8.501 2.192 15.895 1.00 0.00 C ATOM 189 NH1 ARG A 15 -8.618 1.805 17.158 1.00 0.00 N ATOM 190 NH2 ARG A 15 -8.457 3.486 15.604 1.00 0.00 N ATOM 0 H ARG A 15 -6.663 -3.713 12.469 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.017 -1.335 11.358 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.718 -2.046 13.963 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.525 -0.395 13.409 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.089 -0.357 13.112 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.110 -1.857 14.019 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.331 -0.395 15.780 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.581 -0.456 15.713 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.338 1.618 13.964 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.652 0.811 17.386 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.674 2.501 17.902 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.367 3.788 14.634 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.513 4.179 16.350 1.00 0.00 H new ATOM 204 N ILE A 16 -6.051 -0.597 10.065 1.00 0.00 N ATOM 205 CA ILE A 16 -4.914 -0.099 9.302 1.00 0.00 C ATOM 206 C ILE A 16 -4.948 1.422 9.195 1.00 0.00 C ATOM 207 O ILE A 16 -5.742 1.983 8.441 1.00 0.00 O ATOM 208 CB ILE A 16 -4.880 -0.701 7.884 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.218 -2.192 7.932 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.516 -0.481 7.248 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.099 -3.048 8.482 1.00 0.00 C ATOM 0 H ILE A 16 -6.961 -0.356 9.672 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.016 -0.404 9.839 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.629 -0.198 7.273 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.108 -2.335 8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.465 -2.533 6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.508 -0.912 6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.312 0.588 7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.749 -0.961 7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.409 -4.093 8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.213 -2.935 7.857 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.867 -2.734 9.500 1.00 0.00 H new ATOM 223 N GLN A 17 -4.079 2.082 9.954 1.00 0.00 N ATOM 224 CA GLN A 17 -4.009 3.539 9.944 1.00 0.00 C ATOM 225 C GLN A 17 -3.103 4.032 8.820 1.00 0.00 C ATOM 226 O GLN A 17 -1.983 3.548 8.653 1.00 0.00 O ATOM 227 CB GLN A 17 -3.498 4.055 11.290 1.00 0.00 C ATOM 228 CG GLN A 17 -3.650 5.558 11.463 1.00 0.00 C ATOM 229 CD GLN A 17 -3.644 5.982 12.918 1.00 0.00 C ATOM 230 OE1 GLN A 17 -2.786 6.939 13.252 1.00 0.00 O flip ATOM 231 NE2 GLN A 17 -4.401 5.454 13.734 1.00 0.00 N flip ATOM 0 H GLN A 17 -3.414 1.632 10.583 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.014 3.925 9.773 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.036 3.549 12.092 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.446 3.790 11.396 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.840 6.064 10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.582 5.881 10.998 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.045 4.722 13.433 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.384 5.749 14.710 1.00 0.00 H new ATOM 240 N PHE A 18 -3.596 4.998 8.051 1.00 0.00 N ATOM 241 CA PHE A 18 -2.832 5.556 6.942 1.00 0.00 C ATOM 242 C PHE A 18 -2.384 6.981 7.252 1.00 0.00 C ATOM 243 O PHE A 18 -3.181 7.918 7.203 1.00 0.00 O ATOM 244 CB PHE A 18 -3.667 5.540 5.660 1.00 0.00 C ATOM 245 CG PHE A 18 -3.707 4.197 4.987 1.00 0.00 C ATOM 246 CD1 PHE A 18 -4.687 3.274 5.312 1.00 0.00 C ATOM 247 CD2 PHE A 18 -2.764 3.859 4.030 1.00 0.00 C ATOM 248 CE1 PHE A 18 -4.727 2.038 4.695 1.00 0.00 C ATOM 249 CE2 PHE A 18 -2.799 2.625 3.409 1.00 0.00 C ATOM 250 CZ PHE A 18 -3.781 1.712 3.743 1.00 0.00 C ATOM 0 H PHE A 18 -4.521 5.410 8.176 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.946 4.938 6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.685 5.850 5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.263 6.275 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.429 3.523 6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.993 4.568 3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.497 1.328 4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.059 2.374 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.809 0.746 3.261 1.00 0.00 H new ATOM 260 N ARG A 19 -1.104 7.136 7.573 1.00 0.00 N ATOM 261 CA ARG A 19 -0.549 8.446 7.894 1.00 0.00 C ATOM 262 C ARG A 19 -0.045 9.146 6.635 1.00 0.00 C ATOM 263 O ARG A 19 0.761 8.594 5.885 1.00 0.00 O ATOM 264 CB ARG A 19 0.590 8.307 8.905 1.00 0.00 C ATOM 265 CG ARG A 19 0.155 7.721 10.237 1.00 0.00 C ATOM 266 CD ARG A 19 1.004 8.248 11.383 1.00 0.00 C ATOM 267 NE ARG A 19 0.323 8.129 12.669 1.00 0.00 N ATOM 268 CZ ARG A 19 -0.533 9.032 13.134 1.00 0.00 C ATOM 269 NH1 ARG A 19 -0.812 10.115 12.421 1.00 0.00 N ATOM 270 NH2 ARG A 19 -1.113 8.853 14.314 1.00 0.00 N ATOM 0 H ARG A 19 -0.431 6.371 7.618 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.342 9.052 8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.369 7.676 8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.033 9.288 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.892 7.964 10.417 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.228 6.634 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.945 7.699 11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.252 9.293 11.199 1.00 0.00 H new ATOM 0 HE ARG A 19 0.515 7.307 13.242 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.369 10.256 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.470 10.807 12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.902 8.021 14.865 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.770 9.547 14.670 1.00 0.00 H new ATOM 284 N LEU A 20 -0.525 10.364 6.409 1.00 0.00 N ATOM 285 CA LEU A 20 -0.124 11.140 5.241 1.00 0.00 C ATOM 286 C LEU A 20 1.015 12.093 5.586 1.00 0.00 C ATOM 287 O LEU A 20 1.166 12.533 6.726 1.00 0.00 O ATOM 288 CB LEU A 20 -1.315 11.927 4.693 1.00 0.00 C ATOM 289 CG LEU A 20 -2.431 11.099 4.054 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.582 11.996 3.626 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.897 10.310 2.868 1.00 0.00 C ATOM 0 H LEU A 20 -1.192 10.835 7.019 1.00 0.00 H new ATOM 0 HA LEU A 20 0.226 10.446 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.744 12.511 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.946 12.636 3.952 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.804 10.393 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.367 11.390 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.982 12.516 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.224 12.726 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.705 9.727 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.497 10.998 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.107 9.639 3.204 1.00 0.00 H new ATOM 303 N PRO A 21 1.837 12.423 4.578 1.00 0.00 N ATOM 304 CA PRO A 21 2.976 13.330 4.750 1.00 0.00 C ATOM 305 C PRO A 21 2.538 14.770 4.994 1.00 0.00 C ATOM 306 O PRO A 21 3.369 15.661 5.172 1.00 0.00 O ATOM 307 CB PRO A 21 3.723 13.217 3.419 1.00 0.00 C ATOM 308 CG PRO A 21 2.684 12.803 2.435 1.00 0.00 C ATOM 309 CD PRO A 21 1.718 11.936 3.194 1.00 0.00 C ATOM 0 HA PRO A 21 3.580 13.066 5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.178 14.167 3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.527 12.484 3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.179 13.671 2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.129 12.256 1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.701 12.042 2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.978 10.880 3.116 1.00 0.00 H new ATOM 317 N ASP A 22 1.228 14.992 5.002 1.00 0.00 N ATOM 318 CA ASP A 22 0.679 16.325 5.226 1.00 0.00 C ATOM 319 C ASP A 22 0.342 16.533 6.699 1.00 0.00 C ATOM 320 O ASP A 22 0.656 17.572 7.278 1.00 0.00 O ATOM 321 CB ASP A 22 -0.570 16.536 4.369 1.00 0.00 C ATOM 322 CG ASP A 22 -1.475 17.619 4.922 1.00 0.00 C ATOM 323 OD1 ASP A 22 -0.973 18.489 5.664 1.00 0.00 O ATOM 324 OD2 ASP A 22 -2.685 17.596 4.614 1.00 0.00 O ATOM 0 H ASP A 22 0.526 14.266 4.856 1.00 0.00 H new ATOM 0 HA ASP A 22 1.435 17.056 4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.271 16.800 3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.125 15.600 4.305 1.00 0.00 H new ATOM 329 N GLY A 23 -0.301 15.536 7.300 1.00 0.00 N ATOM 330 CA GLY A 23 -0.672 15.630 8.700 1.00 0.00 C ATOM 331 C GLY A 23 -1.890 14.793 9.035 1.00 0.00 C ATOM 332 O GLY A 23 -1.939 14.145 10.080 1.00 0.00 O ATOM 0 H GLY A 23 -0.571 14.665 6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.167 15.308 9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.871 16.672 8.951 1.00 0.00 H new ATOM 336 N SER A 24 -2.879 14.807 8.146 1.00 0.00 N ATOM 337 CA SER A 24 -4.106 14.048 8.355 1.00 0.00 C ATOM 338 C SER A 24 -3.864 12.556 8.144 1.00 0.00 C ATOM 339 O SER A 24 -2.806 12.149 7.664 1.00 0.00 O ATOM 340 CB SER A 24 -5.202 14.537 7.406 1.00 0.00 C ATOM 341 OG SER A 24 -6.480 14.106 7.838 1.00 0.00 O ATOM 0 H SER A 24 -2.854 15.336 7.274 1.00 0.00 H new ATOM 0 HA SER A 24 -4.430 14.205 9.384 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.181 15.625 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.010 14.164 6.400 1.00 0.00 H new ATOM 0 HG SER A 24 -7.163 14.433 7.216 1.00 0.00 H new ATOM 347 N SER A 25 -4.853 11.746 8.506 1.00 0.00 N ATOM 348 CA SER A 25 -4.748 10.299 8.361 1.00 0.00 C ATOM 349 C SER A 25 -6.131 9.658 8.284 1.00 0.00 C ATOM 350 O SER A 25 -7.136 10.280 8.630 1.00 0.00 O ATOM 351 CB SER A 25 -3.962 9.703 9.531 1.00 0.00 C ATOM 352 OG SER A 25 -3.980 8.287 9.489 1.00 0.00 O ATOM 0 H SER A 25 -5.736 12.067 8.902 1.00 0.00 H new ATOM 0 HA SER A 25 -4.218 10.090 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.932 10.058 9.499 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.389 10.047 10.473 1.00 0.00 H new ATOM 0 HG SER A 25 -3.962 7.987 8.556 1.00 0.00 H new ATOM 358 N PHE A 26 -6.173 8.411 7.827 1.00 0.00 N ATOM 359 CA PHE A 26 -7.432 7.685 7.702 1.00 0.00 C ATOM 360 C PHE A 26 -7.229 6.195 7.961 1.00 0.00 C ATOM 361 O PHE A 26 -6.276 5.591 7.467 1.00 0.00 O ATOM 362 CB PHE A 26 -8.031 7.896 6.310 1.00 0.00 C ATOM 363 CG PHE A 26 -7.089 7.546 5.193 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.800 6.223 4.902 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.493 8.541 4.435 1.00 0.00 C ATOM 366 CE1 PHE A 26 -5.934 5.898 3.875 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.627 8.222 3.407 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.346 6.899 3.127 1.00 0.00 C ATOM 0 H PHE A 26 -5.350 7.882 7.537 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.123 8.074 8.450 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.934 7.292 6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.333 8.938 6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.257 5.436 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.708 9.577 4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.717 4.862 3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.170 9.007 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.668 6.648 2.325 1.00 0.00 H new ATOM 378 N THR A 27 -8.131 5.607 8.741 1.00 0.00 N ATOM 379 CA THR A 27 -8.051 4.189 9.067 1.00 0.00 C ATOM 380 C THR A 27 -9.308 3.451 8.621 1.00 0.00 C ATOM 381 O THR A 27 -10.392 3.672 9.158 1.00 0.00 O ATOM 382 CB THR A 27 -7.850 3.972 10.579 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.708 4.706 11.032 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.668 2.495 10.893 1.00 0.00 C ATOM 0 H THR A 27 -8.926 6.091 9.159 1.00 0.00 H new ATOM 0 HA THR A 27 -7.190 3.789 8.532 1.00 0.00 H new ATOM 0 HB THR A 27 -8.739 4.331 11.097 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.588 4.564 11.994 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.528 2.366 11.966 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.552 1.943 10.574 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.793 2.116 10.365 1.00 0.00 H new ATOM 392 N ASN A 28 -9.153 2.571 7.637 1.00 0.00 N ATOM 393 CA ASN A 28 -10.277 1.799 7.119 1.00 0.00 C ATOM 394 C ASN A 28 -10.380 0.450 7.823 1.00 0.00 C ATOM 395 O ASN A 28 -9.554 0.117 8.672 1.00 0.00 O ATOM 396 CB ASN A 28 -10.126 1.590 5.611 1.00 0.00 C ATOM 397 CG ASN A 28 -11.425 1.164 4.954 1.00 0.00 C ATOM 398 OD1 ASN A 28 -12.385 2.079 4.893 1.00 0.00 O flip ATOM 399 ND2 ASN A 28 -11.563 0.025 4.506 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.261 2.375 7.183 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.191 2.360 7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.776 2.515 5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.363 0.834 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.798 -0.646 4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.442 -0.247 4.066 1.00 0.00 H new ATOM 406 N GLN A 29 -11.400 -0.323 7.463 1.00 0.00 N ATOM 407 CA GLN A 29 -11.611 -1.636 8.061 1.00 0.00 C ATOM 408 C GLN A 29 -11.406 -2.742 7.032 1.00 0.00 C ATOM 409 O GLN A 29 -12.091 -2.789 6.010 1.00 0.00 O ATOM 410 CB GLN A 29 -13.019 -1.730 8.654 1.00 0.00 C ATOM 411 CG GLN A 29 -13.107 -1.246 10.092 1.00 0.00 C ATOM 412 CD GLN A 29 -14.534 -0.992 10.536 1.00 0.00 C ATOM 413 OE1 GLN A 29 -15.136 0.021 10.180 1.00 0.00 O ATOM 414 NE2 GLN A 29 -15.083 -1.913 11.318 1.00 0.00 N ATOM 0 H GLN A 29 -12.093 -0.063 6.761 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.879 -1.766 8.858 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.703 -1.144 8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.356 -2.766 8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.653 -1.987 10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.529 -0.328 10.198 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.547 -2.738 11.589 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.041 -1.796 11.648 1.00 0.00 H new ATOM 423 N PHE A 30 -10.457 -3.631 7.307 1.00 0.00 N ATOM 424 CA PHE A 30 -10.160 -4.737 6.404 1.00 0.00 C ATOM 425 C PHE A 30 -10.116 -6.061 7.161 1.00 0.00 C ATOM 426 O PHE A 30 -9.747 -6.122 8.334 1.00 0.00 O ATOM 427 CB PHE A 30 -8.826 -4.499 5.694 1.00 0.00 C ATOM 428 CG PHE A 30 -8.750 -3.175 4.988 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.434 -2.967 3.801 1.00 0.00 C ATOM 430 CD2 PHE A 30 -7.995 -2.138 5.512 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.367 -1.750 3.149 1.00 0.00 C ATOM 432 CE2 PHE A 30 -7.925 -0.918 4.865 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.610 -0.725 3.682 1.00 0.00 C ATOM 0 H PHE A 30 -9.880 -3.607 8.148 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.956 -4.790 5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.019 -4.559 6.424 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.661 -5.297 4.971 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.027 -3.766 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.455 -2.284 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.905 -1.601 2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.335 -0.117 5.285 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.554 0.226 3.174 1.00 0.00 H new ATOM 443 N PRO A 31 -10.503 -7.147 6.475 1.00 0.00 N ATOM 444 CA PRO A 31 -10.517 -8.490 7.063 1.00 0.00 C ATOM 445 C PRO A 31 -9.113 -9.028 7.314 1.00 0.00 C ATOM 446 O PRO A 31 -8.279 -9.061 6.409 1.00 0.00 O ATOM 447 CB PRO A 31 -11.231 -9.333 6.003 1.00 0.00 C ATOM 448 CG PRO A 31 -10.996 -8.609 4.722 1.00 0.00 C ATOM 449 CD PRO A 31 -10.955 -7.147 5.074 1.00 0.00 C ATOM 0 HA PRO A 31 -11.004 -8.503 8.038 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.829 -10.345 5.965 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.296 -9.421 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.061 -8.926 4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.791 -8.816 4.005 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.268 -6.598 4.430 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.934 -6.680 4.968 1.00 0.00 H new ATOM 457 N SER A 32 -8.857 -9.449 8.548 1.00 0.00 N ATOM 458 CA SER A 32 -7.552 -9.983 8.919 1.00 0.00 C ATOM 459 C SER A 32 -6.960 -10.809 7.781 1.00 0.00 C ATOM 460 O SER A 32 -5.741 -10.872 7.614 1.00 0.00 O ATOM 461 CB SER A 32 -7.668 -10.841 10.180 1.00 0.00 C ATOM 462 OG SER A 32 -8.029 -12.173 9.859 1.00 0.00 O ATOM 0 H SER A 32 -9.537 -9.431 9.308 1.00 0.00 H new ATOM 0 HA SER A 32 -6.887 -9.143 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.718 -10.837 10.715 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.413 -10.410 10.849 1.00 0.00 H new ATOM 0 HG SER A 32 -8.095 -12.701 10.682 1.00 0.00 H new ATOM 468 N ASP A 33 -7.830 -11.441 7.002 1.00 0.00 N ATOM 469 CA ASP A 33 -7.395 -12.262 5.878 1.00 0.00 C ATOM 470 C ASP A 33 -6.865 -11.393 4.742 1.00 0.00 C ATOM 471 O ASP A 33 -5.820 -11.682 4.162 1.00 0.00 O ATOM 472 CB ASP A 33 -8.549 -13.131 5.377 1.00 0.00 C ATOM 473 CG ASP A 33 -9.882 -12.410 5.430 1.00 0.00 C ATOM 474 OD1 ASP A 33 -10.540 -12.457 6.490 1.00 0.00 O ATOM 475 OD2 ASP A 33 -10.267 -11.799 4.411 1.00 0.00 O ATOM 0 H ASP A 33 -8.841 -11.401 7.128 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.588 -12.908 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.348 -13.441 4.352 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.605 -14.038 5.979 1.00 0.00 H new ATOM 480 N ALA A 34 -7.595 -10.327 4.430 1.00 0.00 N ATOM 481 CA ALA A 34 -7.198 -9.415 3.365 1.00 0.00 C ATOM 482 C ALA A 34 -5.694 -9.165 3.388 1.00 0.00 C ATOM 483 O ALA A 34 -5.127 -8.737 4.393 1.00 0.00 O ATOM 484 CB ALA A 34 -7.956 -8.101 3.485 1.00 0.00 C ATOM 0 H ALA A 34 -8.464 -10.074 4.900 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.448 -9.880 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.649 -7.430 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.027 -8.291 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.736 -7.640 4.448 1.00 0.00 H new ATOM 490 N PRO A 35 -5.031 -9.437 2.254 1.00 0.00 N ATOM 491 CA PRO A 35 -3.583 -9.249 2.120 1.00 0.00 C ATOM 492 C PRO A 35 -3.188 -7.776 2.112 1.00 0.00 C ATOM 493 O PRO A 35 -3.936 -6.924 1.630 1.00 0.00 O ATOM 494 CB PRO A 35 -3.266 -9.894 0.768 1.00 0.00 C ATOM 495 CG PRO A 35 -4.541 -9.815 0.002 1.00 0.00 C ATOM 496 CD PRO A 35 -5.643 -9.949 1.017 1.00 0.00 C ATOM 0 HA PRO A 35 -3.036 -9.686 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.463 -9.364 0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.940 -10.927 0.889 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.617 -8.869 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.598 -10.608 -0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.522 -9.370 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.965 -10.985 1.127 1.00 0.00 H new ATOM 504 N LEU A 36 -2.009 -7.482 2.650 1.00 0.00 N ATOM 505 CA LEU A 36 -1.514 -6.111 2.704 1.00 0.00 C ATOM 506 C LEU A 36 -1.960 -5.321 1.478 1.00 0.00 C ATOM 507 O LEU A 36 -2.368 -4.165 1.587 1.00 0.00 O ATOM 508 CB LEU A 36 0.012 -6.102 2.803 1.00 0.00 C ATOM 509 CG LEU A 36 0.640 -4.838 3.392 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.130 -4.794 3.094 1.00 0.00 C ATOM 511 CD2 LEU A 36 -0.052 -3.596 2.849 1.00 0.00 C ATOM 0 H LEU A 36 -1.379 -8.174 3.055 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.932 -5.635 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.322 -6.953 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.422 -6.256 1.805 1.00 0.00 H new ATOM 0 HG LEU A 36 0.508 -4.859 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.560 -3.888 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.615 -5.667 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.285 -4.796 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.408 -2.706 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.049 -3.568 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.109 -3.623 3.115 1.00 0.00 H new ATOM 523 N GLU A 37 -1.882 -5.955 0.312 1.00 0.00 N ATOM 524 CA GLU A 37 -2.279 -5.311 -0.935 1.00 0.00 C ATOM 525 C GLU A 37 -3.603 -4.572 -0.768 1.00 0.00 C ATOM 526 O GLU A 37 -3.702 -3.381 -1.061 1.00 0.00 O ATOM 527 CB GLU A 37 -2.398 -6.347 -2.054 1.00 0.00 C ATOM 528 CG GLU A 37 -2.565 -5.735 -3.435 1.00 0.00 C ATOM 529 CD GLU A 37 -2.565 -6.776 -4.538 1.00 0.00 C ATOM 530 OE1 GLU A 37 -1.618 -7.588 -4.587 1.00 0.00 O ATOM 531 OE2 GLU A 37 -3.512 -6.778 -5.352 1.00 0.00 O ATOM 0 H GLU A 37 -1.548 -6.913 0.205 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.510 -4.586 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.509 -6.977 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.249 -6.996 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.499 -5.175 -3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.759 -5.023 -3.613 1.00 0.00 H new ATOM 538 N GLU A 38 -4.618 -5.288 -0.294 1.00 0.00 N ATOM 539 CA GLU A 38 -5.937 -4.700 -0.089 1.00 0.00 C ATOM 540 C GLU A 38 -5.822 -3.304 0.515 1.00 0.00 C ATOM 541 O GLU A 38 -6.479 -2.365 0.065 1.00 0.00 O ATOM 542 CB GLU A 38 -6.782 -5.594 0.821 1.00 0.00 C ATOM 543 CG GLU A 38 -7.550 -6.671 0.074 1.00 0.00 C ATOM 544 CD GLU A 38 -8.258 -6.136 -1.157 1.00 0.00 C ATOM 545 OE1 GLU A 38 -8.862 -5.047 -1.068 1.00 0.00 O ATOM 546 OE2 GLU A 38 -8.207 -6.808 -2.208 1.00 0.00 O ATOM 0 H GLU A 38 -4.552 -6.275 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.425 -4.618 -1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.132 -6.067 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.488 -4.973 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.862 -7.463 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.283 -7.120 0.744 1.00 0.00 H new ATOM 553 N ALA A 39 -4.983 -3.175 1.537 1.00 0.00 N ATOM 554 CA ALA A 39 -4.781 -1.894 2.203 1.00 0.00 C ATOM 555 C ALA A 39 -4.162 -0.874 1.253 1.00 0.00 C ATOM 556 O ALA A 39 -4.572 0.287 1.221 1.00 0.00 O ATOM 557 CB ALA A 39 -3.905 -2.071 3.434 1.00 0.00 C ATOM 0 H ALA A 39 -4.432 -3.942 1.922 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.755 -1.517 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.763 -1.106 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.387 -2.760 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.937 -2.474 3.137 1.00 0.00 H new ATOM 563 N ARG A 40 -3.173 -1.314 0.482 1.00 0.00 N ATOM 564 CA ARG A 40 -2.497 -0.438 -0.467 1.00 0.00 C ATOM 565 C ARG A 40 -3.489 0.154 -1.464 1.00 0.00 C ATOM 566 O ARG A 40 -3.472 1.355 -1.731 1.00 0.00 O ATOM 567 CB ARG A 40 -1.404 -1.206 -1.213 1.00 0.00 C ATOM 568 CG ARG A 40 -0.532 -0.325 -2.092 1.00 0.00 C ATOM 569 CD ARG A 40 0.749 -1.036 -2.498 1.00 0.00 C ATOM 570 NE ARG A 40 1.855 -0.103 -2.695 1.00 0.00 N ATOM 571 CZ ARG A 40 2.060 0.565 -3.824 1.00 0.00 C ATOM 572 NH1 ARG A 40 1.239 0.404 -4.853 1.00 0.00 N ATOM 573 NH2 ARG A 40 3.089 1.397 -3.927 1.00 0.00 N ATOM 0 H ARG A 40 -2.822 -2.272 0.496 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.041 0.379 0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.773 -1.719 -0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.869 -1.974 -1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.087 -0.036 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.286 0.593 -1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.019 -1.762 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.578 -1.594 -3.418 1.00 0.00 H new ATOM 0 HE ARG A 40 2.506 0.044 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.447 -0.235 -4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.399 0.919 -5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.723 1.524 -3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.245 1.910 -4.795 1.00 0.00 H new ATOM 587 N GLN A 41 -4.351 -0.699 -2.009 1.00 0.00 N ATOM 588 CA GLN A 41 -5.349 -0.260 -2.977 1.00 0.00 C ATOM 589 C GLN A 41 -6.228 0.841 -2.392 1.00 0.00 C ATOM 590 O GLN A 41 -6.271 1.957 -2.911 1.00 0.00 O ATOM 591 CB GLN A 41 -6.216 -1.441 -3.418 1.00 0.00 C ATOM 592 CG GLN A 41 -5.423 -2.582 -4.033 1.00 0.00 C ATOM 593 CD GLN A 41 -6.232 -3.858 -4.151 1.00 0.00 C ATOM 594 OE1 GLN A 41 -5.928 -4.833 -3.302 1.00 0.00 O flip ATOM 595 NE2 GLN A 41 -7.121 -3.968 -4.996 1.00 0.00 N flip ATOM 0 H GLN A 41 -4.378 -1.696 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.825 0.141 -3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.769 -1.817 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.952 -1.090 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.074 -2.285 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.538 -2.772 -3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.322 -3.194 -5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.657 -4.833 -5.063 1.00 0.00 H new ATOM 604 N PHE A 42 -6.928 0.520 -1.309 1.00 0.00 N ATOM 605 CA PHE A 42 -7.807 1.481 -0.654 1.00 0.00 C ATOM 606 C PHE A 42 -7.146 2.855 -0.573 1.00 0.00 C ATOM 607 O PHE A 42 -7.681 3.843 -1.075 1.00 0.00 O ATOM 608 CB PHE A 42 -8.173 0.995 0.750 1.00 0.00 C ATOM 609 CG PHE A 42 -8.797 2.058 1.609 1.00 0.00 C ATOM 610 CD1 PHE A 42 -10.102 2.467 1.389 1.00 0.00 C ATOM 611 CD2 PHE A 42 -8.077 2.649 2.635 1.00 0.00 C ATOM 612 CE1 PHE A 42 -10.680 3.444 2.178 1.00 0.00 C ATOM 613 CE2 PHE A 42 -8.649 3.627 3.426 1.00 0.00 C ATOM 614 CZ PHE A 42 -9.952 4.026 3.197 1.00 0.00 C ATOM 0 H PHE A 42 -6.903 -0.399 -0.866 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.716 1.569 -1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.863 0.155 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.275 0.622 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.675 2.017 0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.058 2.342 2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.699 3.752 1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.078 4.079 4.223 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.400 4.791 3.814 1.00 0.00 H new ATOM 624 N ALA A 43 -5.981 2.907 0.064 1.00 0.00 N ATOM 625 CA ALA A 43 -5.246 4.158 0.210 1.00 0.00 C ATOM 626 C ALA A 43 -5.064 4.848 -1.137 1.00 0.00 C ATOM 627 O ALA A 43 -5.204 6.066 -1.245 1.00 0.00 O ATOM 628 CB ALA A 43 -3.896 3.903 0.862 1.00 0.00 C ATOM 0 H ALA A 43 -5.526 2.098 0.487 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.827 4.820 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.358 4.845 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.045 3.461 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.316 3.220 0.242 1.00 0.00 H new ATOM 634 N ALA A 44 -4.749 4.062 -2.162 1.00 0.00 N ATOM 635 CA ALA A 44 -4.549 4.598 -3.502 1.00 0.00 C ATOM 636 C ALA A 44 -5.828 5.234 -4.036 1.00 0.00 C ATOM 637 O ALA A 44 -5.782 6.235 -4.751 1.00 0.00 O ATOM 638 CB ALA A 44 -4.070 3.502 -4.443 1.00 0.00 C ATOM 0 H ALA A 44 -4.627 3.052 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.785 5.373 -3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.925 3.917 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.127 3.096 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.815 2.708 -4.485 1.00 0.00 H new ATOM 644 N GLN A 45 -6.967 4.647 -3.684 1.00 0.00 N ATOM 645 CA GLN A 45 -8.258 5.157 -4.130 1.00 0.00 C ATOM 646 C GLN A 45 -8.522 6.546 -3.557 1.00 0.00 C ATOM 647 O GLN A 45 -9.305 7.319 -4.110 1.00 0.00 O ATOM 648 CB GLN A 45 -9.378 4.201 -3.717 1.00 0.00 C ATOM 649 CG GLN A 45 -9.652 3.108 -4.737 1.00 0.00 C ATOM 650 CD GLN A 45 -10.508 1.988 -4.178 1.00 0.00 C ATOM 651 OE1 GLN A 45 -11.711 2.153 -3.976 1.00 0.00 O ATOM 652 NE2 GLN A 45 -9.890 0.841 -3.924 1.00 0.00 N ATOM 0 H GLN A 45 -7.022 3.818 -3.092 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.235 5.231 -5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.118 3.740 -2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.292 4.773 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.150 3.542 -5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.705 2.697 -5.086 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.891 0.749 -4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.414 0.052 -3.546 1.00 0.00 H new ATOM 661 N THR A 46 -7.864 6.856 -2.444 1.00 0.00 N ATOM 662 CA THR A 46 -8.029 8.151 -1.795 1.00 0.00 C ATOM 663 C THR A 46 -6.935 9.123 -2.221 1.00 0.00 C ATOM 664 O THR A 46 -7.215 10.252 -2.624 1.00 0.00 O ATOM 665 CB THR A 46 -8.012 8.017 -0.261 1.00 0.00 C ATOM 666 OG1 THR A 46 -9.121 7.222 0.174 1.00 0.00 O ATOM 667 CG2 THR A 46 -8.069 9.384 0.403 1.00 0.00 C ATOM 0 H THR A 46 -7.212 6.228 -1.974 1.00 0.00 H new ATOM 0 HA THR A 46 -8.998 8.540 -2.108 1.00 0.00 H new ATOM 0 HB THR A 46 -7.081 7.530 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.102 7.140 1.150 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.056 9.263 1.486 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.207 9.975 0.093 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.985 9.895 0.106 1.00 0.00 H new ATOM 675 N VAL A 47 -5.686 8.677 -2.131 1.00 0.00 N ATOM 676 CA VAL A 47 -4.548 9.507 -2.509 1.00 0.00 C ATOM 677 C VAL A 47 -4.077 9.183 -3.922 1.00 0.00 C ATOM 678 O VAL A 47 -2.906 9.361 -4.253 1.00 0.00 O ATOM 679 CB VAL A 47 -3.371 9.324 -1.533 1.00 0.00 C ATOM 680 CG1 VAL A 47 -3.810 9.615 -0.105 1.00 0.00 C ATOM 681 CG2 VAL A 47 -2.797 7.920 -1.647 1.00 0.00 C ATOM 0 H VAL A 47 -5.436 7.745 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.885 10.543 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.588 10.034 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.965 9.480 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.169 10.642 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.611 8.931 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.966 7.809 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.571 7.190 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.442 7.753 -2.664 1.00 0.00 H new ATOM 691 N GLY A 48 -4.999 8.706 -4.753 1.00 0.00 N ATOM 692 CA GLY A 48 -4.659 8.365 -6.122 1.00 0.00 C ATOM 693 C GLY A 48 -3.820 9.433 -6.794 1.00 0.00 C ATOM 694 O GLY A 48 -2.608 9.279 -6.940 1.00 0.00 O ATOM 0 H GLY A 48 -5.975 8.550 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.116 7.420 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.575 8.214 -6.694 1.00 0.00 H new ATOM 698 N ASN A 49 -4.466 10.519 -7.206 1.00 0.00 N ATOM 699 CA ASN A 49 -3.770 11.617 -7.869 1.00 0.00 C ATOM 700 C ASN A 49 -3.263 12.634 -6.850 1.00 0.00 C ATOM 701 O ASN A 49 -3.405 13.842 -7.039 1.00 0.00 O ATOM 702 CB ASN A 49 -4.698 12.303 -8.873 1.00 0.00 C ATOM 703 CG ASN A 49 -3.962 13.288 -9.761 1.00 0.00 C ATOM 704 OD1 ASN A 49 -3.867 14.474 -9.446 1.00 0.00 O ATOM 705 ND2 ASN A 49 -3.437 12.798 -10.878 1.00 0.00 N ATOM 0 H ASN A 49 -5.469 10.663 -7.093 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.913 11.204 -8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.179 11.547 -9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.489 12.824 -8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.930 13.412 -11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.541 11.808 -11.099 1.00 0.00 H new ATOM 712 N THR A 50 -2.671 12.136 -5.770 1.00 0.00 N ATOM 713 CA THR A 50 -2.143 12.999 -4.721 1.00 0.00 C ATOM 714 C THR A 50 -0.620 12.941 -4.676 1.00 0.00 C ATOM 715 O THR A 50 0.049 13.974 -4.642 1.00 0.00 O ATOM 716 CB THR A 50 -2.702 12.611 -3.339 1.00 0.00 C ATOM 717 OG1 THR A 50 -4.130 12.714 -3.342 1.00 0.00 O ATOM 718 CG2 THR A 50 -2.126 13.505 -2.252 1.00 0.00 C ATOM 0 H THR A 50 -2.545 11.138 -5.598 1.00 0.00 H new ATOM 0 HA THR A 50 -2.458 14.015 -4.959 1.00 0.00 H new ATOM 0 HB THR A 50 -2.413 11.581 -3.131 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.455 12.781 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.535 13.212 -1.285 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.041 13.402 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.388 14.543 -2.458 1.00 0.00 H new ATOM 726 N TYR A 51 -0.079 11.728 -4.675 1.00 0.00 N ATOM 727 CA TYR A 51 1.366 11.536 -4.632 1.00 0.00 C ATOM 728 C TYR A 51 1.846 10.742 -5.843 1.00 0.00 C ATOM 729 O TYR A 51 2.862 11.073 -6.453 1.00 0.00 O ATOM 730 CB TYR A 51 1.767 10.815 -3.344 1.00 0.00 C ATOM 731 CG TYR A 51 1.070 11.345 -2.111 1.00 0.00 C ATOM 732 CD1 TYR A 51 1.470 12.539 -1.523 1.00 0.00 C ATOM 733 CD2 TYR A 51 0.014 10.651 -1.534 1.00 0.00 C ATOM 734 CE1 TYR A 51 0.837 13.026 -0.396 1.00 0.00 C ATOM 735 CE2 TYR A 51 -0.626 11.132 -0.408 1.00 0.00 C ATOM 736 CZ TYR A 51 -0.211 12.320 0.158 1.00 0.00 C ATOM 737 OH TYR A 51 -0.845 12.802 1.280 1.00 0.00 O ATOM 0 H TYR A 51 -0.619 10.863 -4.703 1.00 0.00 H new ATOM 0 HA TYR A 51 1.839 12.518 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.545 9.753 -3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.845 10.904 -3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.289 13.095 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.312 9.720 -1.973 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.161 13.955 0.049 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.447 10.581 0.027 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.814 12.802 1.134 1.00 0.00 H new ATOM 747 N GLY A 52 1.106 9.692 -6.186 1.00 0.00 N ATOM 748 CA GLY A 52 1.471 8.867 -7.323 1.00 0.00 C ATOM 749 C GLY A 52 1.789 7.440 -6.925 1.00 0.00 C ATOM 750 O GLY A 52 0.945 6.742 -6.364 1.00 0.00 O ATOM 0 H GLY A 52 0.261 9.398 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.654 8.866 -8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.336 9.303 -7.822 1.00 0.00 H new ATOM 754 N ASN A 53 3.010 7.003 -7.218 1.00 0.00 N ATOM 755 CA ASN A 53 3.436 5.648 -6.889 1.00 0.00 C ATOM 756 C ASN A 53 3.943 5.571 -5.452 1.00 0.00 C ATOM 757 O ASN A 53 4.942 4.909 -5.169 1.00 0.00 O ATOM 758 CB ASN A 53 4.531 5.188 -7.853 1.00 0.00 C ATOM 759 CG ASN A 53 4.517 3.687 -8.070 1.00 0.00 C ATOM 760 OD1 ASN A 53 4.390 3.272 -9.325 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 4.620 2.910 -7.120 1.00 0.00 N flip ATOM 0 H ASN A 53 3.721 7.568 -7.682 1.00 0.00 H new ATOM 0 HA ASN A 53 2.574 4.988 -6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.403 5.692 -8.811 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.504 5.487 -7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.716 3.274 -6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.610 1.903 -7.281 1.00 0.00 H new ATOM 768 N PHE A 54 3.247 6.252 -4.548 1.00 0.00 N ATOM 769 CA PHE A 54 3.626 6.262 -3.139 1.00 0.00 C ATOM 770 C PHE A 54 3.810 4.840 -2.616 1.00 0.00 C ATOM 771 O PHE A 54 3.135 3.912 -3.060 1.00 0.00 O ATOM 772 CB PHE A 54 2.567 6.990 -2.309 1.00 0.00 C ATOM 773 CG PHE A 54 1.304 6.199 -2.122 1.00 0.00 C ATOM 774 CD1 PHE A 54 1.209 5.247 -1.120 1.00 0.00 C ATOM 775 CD2 PHE A 54 0.211 6.407 -2.948 1.00 0.00 C ATOM 776 CE1 PHE A 54 0.048 4.517 -0.944 1.00 0.00 C ATOM 777 CE2 PHE A 54 -0.952 5.681 -2.778 1.00 0.00 C ATOM 778 CZ PHE A 54 -1.033 4.734 -1.775 1.00 0.00 C ATOM 0 H PHE A 54 2.417 6.804 -4.765 1.00 0.00 H new ATOM 0 HA PHE A 54 4.575 6.790 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.985 7.229 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.325 7.936 -2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.052 5.073 -0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.269 7.145 -3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.013 3.779 -0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.797 5.853 -3.428 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.941 4.164 -1.641 1.00 0.00 H new ATOM 788 N SER A 55 4.729 4.679 -1.669 1.00 0.00 N ATOM 789 CA SER A 55 5.006 3.371 -1.088 1.00 0.00 C ATOM 790 C SER A 55 4.433 3.271 0.323 1.00 0.00 C ATOM 791 O SER A 55 3.864 4.231 0.843 1.00 0.00 O ATOM 792 CB SER A 55 6.513 3.111 -1.058 1.00 0.00 C ATOM 793 OG SER A 55 7.035 2.984 -2.369 1.00 0.00 O ATOM 0 H SER A 55 5.294 5.438 -1.288 1.00 0.00 H new ATOM 0 HA SER A 55 4.527 2.616 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.016 3.928 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.717 2.202 -0.492 1.00 0.00 H new ATOM 0 HG SER A 55 8.000 2.820 -2.322 1.00 0.00 H new ATOM 799 N LEU A 56 4.588 2.103 0.936 1.00 0.00 N ATOM 800 CA LEU A 56 4.087 1.875 2.287 1.00 0.00 C ATOM 801 C LEU A 56 5.167 1.264 3.173 1.00 0.00 C ATOM 802 O LEU A 56 5.980 0.461 2.714 1.00 0.00 O ATOM 803 CB LEU A 56 2.862 0.960 2.250 1.00 0.00 C ATOM 804 CG LEU A 56 1.634 1.510 1.525 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.555 0.443 1.417 1.00 0.00 C ATOM 806 CD2 LEU A 56 1.099 2.741 2.242 1.00 0.00 C ATOM 0 H LEU A 56 5.057 1.299 0.519 1.00 0.00 H new ATOM 0 HA LEU A 56 3.800 2.838 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.149 0.022 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.578 0.725 3.276 1.00 0.00 H new ATOM 0 HG LEU A 56 1.931 1.801 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.311 0.853 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.942 -0.410 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.261 0.121 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.225 3.119 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.819 2.475 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.870 3.511 2.267 1.00 0.00 H new ATOM 818 N ALA A 57 5.169 1.646 4.445 1.00 0.00 N ATOM 819 CA ALA A 57 6.146 1.132 5.397 1.00 0.00 C ATOM 820 C ALA A 57 5.612 1.200 6.823 1.00 0.00 C ATOM 821 O ALA A 57 4.550 1.771 7.074 1.00 0.00 O ATOM 822 CB ALA A 57 7.451 1.906 5.283 1.00 0.00 C ATOM 0 H ALA A 57 4.504 2.311 4.841 1.00 0.00 H new ATOM 0 HA ALA A 57 6.334 0.085 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.172 1.512 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.849 1.802 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.269 2.960 5.494 1.00 0.00 H new ATOM 828 N THR A 58 6.354 0.613 7.757 1.00 0.00 N ATOM 829 CA THR A 58 5.955 0.605 9.159 1.00 0.00 C ATOM 830 C THR A 58 6.410 1.875 9.867 1.00 0.00 C ATOM 831 O THR A 58 6.972 2.776 9.246 1.00 0.00 O ATOM 832 CB THR A 58 6.529 -0.617 9.900 1.00 0.00 C ATOM 833 OG1 THR A 58 7.958 -0.619 9.807 1.00 0.00 O ATOM 834 CG2 THR A 58 5.976 -1.910 9.320 1.00 0.00 C ATOM 0 H THR A 58 7.236 0.136 7.567 1.00 0.00 H new ATOM 0 HA THR A 58 4.866 0.552 9.177 1.00 0.00 H new ATOM 0 HB THR A 58 6.234 -0.552 10.947 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.257 0.192 9.345 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.396 -2.759 9.859 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.890 -1.918 9.418 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.245 -1.980 8.266 1.00 0.00 H new ATOM 842 N MET A 59 6.164 1.940 11.172 1.00 0.00 N ATOM 843 CA MET A 59 6.552 3.100 11.966 1.00 0.00 C ATOM 844 C MET A 59 7.469 2.692 13.114 1.00 0.00 C ATOM 845 O MET A 59 8.497 3.324 13.355 1.00 0.00 O ATOM 846 CB MET A 59 5.311 3.807 12.515 1.00 0.00 C ATOM 847 CG MET A 59 4.764 4.882 11.590 1.00 0.00 C ATOM 848 SD MET A 59 3.175 5.531 12.141 1.00 0.00 S ATOM 849 CE MET A 59 2.187 5.305 10.664 1.00 0.00 C ATOM 0 H MET A 59 5.698 1.203 11.701 1.00 0.00 H new ATOM 0 HA MET A 59 7.096 3.787 11.318 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.532 3.066 12.698 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.555 4.257 13.477 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.482 5.699 11.524 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.656 4.471 10.586 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.139 5.192 10.941 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.299 6.174 10.015 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.521 4.412 10.136 1.00 0.00 H new ATOM 859 N PHE A 60 7.089 1.632 13.820 1.00 0.00 N ATOM 860 CA PHE A 60 7.877 1.140 14.945 1.00 0.00 C ATOM 861 C PHE A 60 9.191 0.533 14.463 1.00 0.00 C ATOM 862 O PHE A 60 10.273 1.078 14.684 1.00 0.00 O ATOM 863 CB PHE A 60 7.081 0.100 15.736 1.00 0.00 C ATOM 864 CG PHE A 60 6.376 0.668 16.934 1.00 0.00 C ATOM 865 CD1 PHE A 60 7.058 0.874 18.122 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.031 0.996 16.872 1.00 0.00 C ATOM 867 CE1 PHE A 60 6.412 1.398 19.227 1.00 0.00 C ATOM 868 CE2 PHE A 60 4.380 1.521 17.972 1.00 0.00 C ATOM 869 CZ PHE A 60 5.071 1.720 19.152 1.00 0.00 C ATOM 0 H PHE A 60 6.241 1.097 13.633 1.00 0.00 H new ATOM 0 HA PHE A 60 8.104 1.985 15.595 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.346 -0.361 15.077 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.756 -0.691 16.063 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.106 0.623 18.186 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.485 0.839 15.953 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.955 1.555 20.147 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.332 1.776 17.910 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.563 2.127 20.014 1.00 0.00 H new ATOM 879 N PRO A 61 9.098 -0.623 13.791 1.00 0.00 N ATOM 880 CA PRO A 61 10.269 -1.330 13.264 1.00 0.00 C ATOM 881 C PRO A 61 10.916 -0.591 12.098 1.00 0.00 C ATOM 882 O PRO A 61 12.004 -0.952 11.649 1.00 0.00 O ATOM 883 CB PRO A 61 9.694 -2.669 12.796 1.00 0.00 C ATOM 884 CG PRO A 61 8.260 -2.386 12.507 1.00 0.00 C ATOM 885 CD PRO A 61 7.841 -1.330 13.492 1.00 0.00 C ATOM 0 HA PRO A 61 11.057 -1.427 14.011 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.212 -3.034 11.909 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.799 -3.435 13.564 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.129 -2.038 11.482 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.654 -3.286 12.618 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.094 -0.659 13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.403 -1.768 14.389 1.00 0.00 H new ATOM 893 N ARG A 62 10.241 0.446 11.612 1.00 0.00 N ATOM 894 CA ARG A 62 10.751 1.235 10.498 1.00 0.00 C ATOM 895 C ARG A 62 11.351 0.334 9.423 1.00 0.00 C ATOM 896 O ARG A 62 12.508 0.500 9.035 1.00 0.00 O ATOM 897 CB ARG A 62 11.802 2.231 10.989 1.00 0.00 C ATOM 898 CG ARG A 62 12.168 3.289 9.961 1.00 0.00 C ATOM 899 CD ARG A 62 10.929 3.952 9.380 1.00 0.00 C ATOM 900 NE ARG A 62 11.207 5.301 8.893 1.00 0.00 N ATOM 901 CZ ARG A 62 11.202 6.378 9.670 1.00 0.00 C ATOM 902 NH1 ARG A 62 10.934 6.265 10.963 1.00 0.00 N ATOM 903 NH2 ARG A 62 11.465 7.572 9.153 1.00 0.00 N ATOM 0 H ARG A 62 9.340 0.759 11.973 1.00 0.00 H new ATOM 0 HA ARG A 62 9.916 1.784 10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.431 2.723 11.888 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.702 1.686 11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.803 4.044 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.748 2.833 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.542 3.344 8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.150 3.995 10.141 1.00 0.00 H new ATOM 0 HE ARG A 62 11.416 5.422 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.731 5.349 11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.931 7.094 11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.671 7.663 8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.461 8.399 9.751 1.00 0.00 H new ATOM 917 N ARG A 63 10.558 -0.620 8.947 1.00 0.00 N ATOM 918 CA ARG A 63 11.012 -1.549 7.919 1.00 0.00 C ATOM 919 C ARG A 63 10.084 -1.515 6.708 1.00 0.00 C ATOM 920 O ARG A 63 8.866 -1.411 6.851 1.00 0.00 O ATOM 921 CB ARG A 63 11.084 -2.970 8.481 1.00 0.00 C ATOM 922 CG ARG A 63 12.175 -3.820 7.850 1.00 0.00 C ATOM 923 CD ARG A 63 12.000 -5.292 8.188 1.00 0.00 C ATOM 924 NE ARG A 63 12.610 -6.160 7.185 1.00 0.00 N ATOM 925 CZ ARG A 63 12.542 -7.486 7.222 1.00 0.00 C ATOM 926 NH1 ARG A 63 11.893 -8.093 8.207 1.00 0.00 N ATOM 927 NH2 ARG A 63 13.123 -8.209 6.272 1.00 0.00 N ATOM 0 H ARG A 63 9.598 -0.770 9.257 1.00 0.00 H new ATOM 0 HA ARG A 63 12.008 -1.241 7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.252 -2.918 9.557 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.122 -3.460 8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.159 -3.690 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.150 -3.479 8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.445 -5.496 9.162 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.937 -5.522 8.268 1.00 0.00 H new ATOM 0 HE ARG A 63 13.116 -5.724 6.414 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.445 -7.541 8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.842 -9.111 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.622 -7.746 5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.070 -9.227 6.302 1.00 0.00 H new ATOM 941 N GLU A 64 10.669 -1.605 5.518 1.00 0.00 N ATOM 942 CA GLU A 64 9.894 -1.583 4.283 1.00 0.00 C ATOM 943 C GLU A 64 9.390 -2.980 3.932 1.00 0.00 C ATOM 944 O GLU A 64 10.111 -3.967 4.079 1.00 0.00 O ATOM 945 CB GLU A 64 10.739 -1.030 3.133 1.00 0.00 C ATOM 946 CG GLU A 64 9.917 -0.558 1.946 1.00 0.00 C ATOM 947 CD GLU A 64 9.687 -1.653 0.923 1.00 0.00 C ATOM 948 OE1 GLU A 64 10.653 -2.376 0.601 1.00 0.00 O ATOM 949 OE2 GLU A 64 8.542 -1.786 0.443 1.00 0.00 O ATOM 0 H GLU A 64 11.676 -1.694 5.383 1.00 0.00 H new ATOM 0 HA GLU A 64 9.033 -0.932 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.340 -0.199 3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.433 -1.801 2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.954 -0.188 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.424 0.280 1.468 1.00 0.00 H new ATOM 956 N PHE A 65 8.147 -3.056 3.469 1.00 0.00 N ATOM 957 CA PHE A 65 7.545 -4.331 3.098 1.00 0.00 C ATOM 958 C PHE A 65 8.116 -4.839 1.778 1.00 0.00 C ATOM 959 O PHE A 65 8.766 -4.096 1.042 1.00 0.00 O ATOM 960 CB PHE A 65 6.025 -4.190 2.989 1.00 0.00 C ATOM 961 CG PHE A 65 5.364 -3.813 4.284 1.00 0.00 C ATOM 962 CD1 PHE A 65 5.082 -4.776 5.239 1.00 0.00 C ATOM 963 CD2 PHE A 65 5.025 -2.495 4.546 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.472 -4.432 6.431 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.415 -2.145 5.736 1.00 0.00 C ATOM 966 CZ PHE A 65 4.140 -3.115 6.680 1.00 0.00 C ATOM 0 H PHE A 65 7.536 -2.249 3.342 1.00 0.00 H new ATOM 0 HA PHE A 65 7.780 -5.055 3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.791 -3.436 2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.605 -5.132 2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.342 -5.807 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.240 -1.733 3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.255 -5.192 7.167 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.154 -1.115 5.927 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.666 -2.844 7.612 1.00 0.00 H new ATOM 976 N THR A 66 7.869 -6.112 1.483 1.00 0.00 N ATOM 977 CA THR A 66 8.359 -6.721 0.253 1.00 0.00 C ATOM 978 C THR A 66 7.223 -7.368 -0.530 1.00 0.00 C ATOM 979 O THR A 66 6.206 -7.759 0.042 1.00 0.00 O ATOM 980 CB THR A 66 9.438 -7.781 0.542 1.00 0.00 C ATOM 981 OG1 THR A 66 9.782 -8.472 -0.664 1.00 0.00 O ATOM 982 CG2 THR A 66 8.952 -8.778 1.583 1.00 0.00 C ATOM 0 H THR A 66 7.332 -6.741 2.080 1.00 0.00 H new ATOM 0 HA THR A 66 8.798 -5.921 -0.343 1.00 0.00 H new ATOM 0 HB THR A 66 10.320 -7.273 0.933 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.470 -9.143 -0.472 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.731 -9.517 1.771 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.719 -8.253 2.509 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.057 -9.280 1.216 1.00 0.00 H new ATOM 990 N ARG A 67 7.404 -7.481 -1.842 1.00 0.00 N ATOM 991 CA ARG A 67 6.393 -8.081 -2.704 1.00 0.00 C ATOM 992 C ARG A 67 5.720 -9.263 -2.011 1.00 0.00 C ATOM 993 O ARG A 67 4.497 -9.394 -2.036 1.00 0.00 O ATOM 994 CB ARG A 67 7.023 -8.540 -4.021 1.00 0.00 C ATOM 995 CG ARG A 67 6.016 -8.731 -5.143 1.00 0.00 C ATOM 996 CD ARG A 67 6.590 -9.575 -6.270 1.00 0.00 C ATOM 997 NE ARG A 67 6.605 -10.996 -5.937 1.00 0.00 N ATOM 998 CZ ARG A 67 6.613 -11.965 -6.846 1.00 0.00 C ATOM 999 NH1 ARG A 67 6.608 -11.665 -8.138 1.00 0.00 N ATOM 1000 NH2 ARG A 67 6.627 -13.235 -6.464 1.00 0.00 N ATOM 0 H ARG A 67 8.241 -7.165 -2.331 1.00 0.00 H new ATOM 0 HA ARG A 67 5.636 -7.326 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.767 -7.807 -4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.551 -9.479 -3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.118 -9.209 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.715 -7.758 -5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.001 -9.421 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.605 -9.244 -6.490 1.00 0.00 H new ATOM 0 HE ARG A 67 6.610 -11.260 -4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.598 -10.689 -8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.614 -12.410 -8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.632 -13.469 -5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.633 -13.978 -7.163 1.00 0.00 H new ATOM 1014 N GLU A 68 6.528 -10.119 -1.394 1.00 0.00 N ATOM 1015 CA GLU A 68 6.010 -11.290 -0.696 1.00 0.00 C ATOM 1016 C GLU A 68 4.974 -10.886 0.349 1.00 0.00 C ATOM 1017 O GLU A 68 3.935 -11.530 0.490 1.00 0.00 O ATOM 1018 CB GLU A 68 7.151 -12.059 -0.028 1.00 0.00 C ATOM 1019 CG GLU A 68 7.883 -13.002 -0.969 1.00 0.00 C ATOM 1020 CD GLU A 68 8.792 -13.969 -0.236 1.00 0.00 C ATOM 1021 OE1 GLU A 68 8.331 -14.589 0.745 1.00 0.00 O ATOM 1022 OE2 GLU A 68 9.965 -14.105 -0.644 1.00 0.00 O ATOM 0 H GLU A 68 7.543 -10.024 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 68 5.528 -11.935 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.864 -11.347 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.751 -12.632 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.154 -13.565 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.474 -12.418 -1.675 1.00 0.00 H new ATOM 1029 N ASP A 69 5.266 -9.815 1.079 1.00 0.00 N ATOM 1030 CA ASP A 69 4.361 -9.324 2.111 1.00 0.00 C ATOM 1031 C ASP A 69 2.968 -9.078 1.540 1.00 0.00 C ATOM 1032 O ASP A 69 1.964 -9.474 2.133 1.00 0.00 O ATOM 1033 CB ASP A 69 4.907 -8.035 2.727 1.00 0.00 C ATOM 1034 CG ASP A 69 6.143 -8.276 3.572 1.00 0.00 C ATOM 1035 OD1 ASP A 69 6.320 -9.414 4.054 1.00 0.00 O ATOM 1036 OD2 ASP A 69 6.934 -7.326 3.749 1.00 0.00 O ATOM 0 H ASP A 69 6.122 -9.271 0.975 1.00 0.00 H new ATOM 0 HA ASP A 69 4.287 -10.086 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.146 -7.329 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.134 -7.574 3.342 1.00 0.00 H new ATOM 1041 N TYR A 70 2.914 -8.422 0.386 1.00 0.00 N ATOM 1042 CA TYR A 70 1.644 -8.121 -0.264 1.00 0.00 C ATOM 1043 C TYR A 70 0.879 -9.401 -0.585 1.00 0.00 C ATOM 1044 O TYR A 70 -0.349 -9.401 -0.667 1.00 0.00 O ATOM 1045 CB TYR A 70 1.880 -7.319 -1.545 1.00 0.00 C ATOM 1046 CG TYR A 70 2.296 -5.887 -1.295 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.520 -5.045 -0.507 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.464 -5.376 -1.847 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.896 -3.736 -0.277 1.00 0.00 C ATOM 1050 CE2 TYR A 70 3.848 -4.068 -1.620 1.00 0.00 C ATOM 1051 CZ TYR A 70 3.061 -3.252 -0.835 1.00 0.00 C ATOM 1052 OH TYR A 70 3.439 -1.949 -0.608 1.00 0.00 O ATOM 0 H TYR A 70 3.735 -8.088 -0.119 1.00 0.00 H new ATOM 0 HA TYR A 70 1.045 -7.525 0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.650 -7.814 -2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.967 -7.325 -2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.608 -5.421 -0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.082 -6.012 -2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.281 -3.095 0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.760 -3.687 -2.055 1.00 0.00 H new ATOM 0 HH TYR A 70 4.283 -1.768 -1.071 1.00 0.00 H new ATOM 1062 N LYS A 71 1.615 -10.492 -0.766 1.00 0.00 N ATOM 1063 CA LYS A 71 1.009 -11.782 -1.076 1.00 0.00 C ATOM 1064 C LYS A 71 0.494 -12.460 0.189 1.00 0.00 C ATOM 1065 O LYS A 71 -0.416 -13.287 0.135 1.00 0.00 O ATOM 1066 CB LYS A 71 2.022 -12.689 -1.778 1.00 0.00 C ATOM 1067 CG LYS A 71 2.640 -12.066 -3.018 1.00 0.00 C ATOM 1068 CD LYS A 71 1.722 -12.194 -4.223 1.00 0.00 C ATOM 1069 CE LYS A 71 1.934 -13.515 -4.946 1.00 0.00 C ATOM 1070 NZ LYS A 71 1.122 -13.602 -6.192 1.00 0.00 N ATOM 0 H LYS A 71 2.633 -10.509 -0.703 1.00 0.00 H new ATOM 0 HA LYS A 71 0.164 -11.607 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.816 -12.945 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.530 -13.621 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.851 -11.013 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.593 -12.549 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.684 -12.117 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.905 -11.368 -4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.990 -13.629 -5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.670 -14.339 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.294 -14.517 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.113 -13.519 -5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.391 -12.831 -6.836 1.00 0.00 H new ATOM 1084 N ARG A 72 1.082 -12.104 1.327 1.00 0.00 N ATOM 1085 CA ARG A 72 0.683 -12.679 2.606 1.00 0.00 C ATOM 1086 C ARG A 72 -0.496 -11.914 3.201 1.00 0.00 C ATOM 1087 O ARG A 72 -0.768 -10.776 2.817 1.00 0.00 O ATOM 1088 CB ARG A 72 1.859 -12.666 3.584 1.00 0.00 C ATOM 1089 CG ARG A 72 3.090 -13.391 3.066 1.00 0.00 C ATOM 1090 CD ARG A 72 4.363 -12.848 3.697 1.00 0.00 C ATOM 1091 NE ARG A 72 4.692 -13.534 4.943 1.00 0.00 N ATOM 1092 CZ ARG A 72 5.889 -13.481 5.516 1.00 0.00 C ATOM 1093 NH1 ARG A 72 6.865 -12.779 4.958 1.00 0.00 N ATOM 1094 NH2 ARG A 72 6.112 -14.133 6.651 1.00 0.00 N ATOM 0 H ARG A 72 1.836 -11.420 1.389 1.00 0.00 H new ATOM 0 HA ARG A 72 0.375 -13.710 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.124 -11.632 3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.546 -13.124 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.003 -14.456 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.146 -13.286 1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.190 -12.955 2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.245 -11.782 3.890 1.00 0.00 H new ATOM 0 HE ARG A 72 3.963 -14.084 5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.698 -12.277 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.783 -12.740 5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.364 -14.675 7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.032 -14.092 7.091 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.193 -12.548 4.139 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.343 -11.928 4.785 1.00 0.00 C ATOM 1110 C ARG A 73 -1.897 -10.919 5.839 1.00 0.00 C ATOM 1111 O ARG A 73 -0.787 -11.006 6.366 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.229 -12.996 5.430 1.00 0.00 C ATOM 1113 CG ARG A 73 -3.722 -14.050 4.452 1.00 0.00 C ATOM 1114 CD ARG A 73 -4.653 -15.044 5.127 1.00 0.00 C ATOM 1115 NE ARG A 73 -3.976 -15.805 6.174 1.00 0.00 N ATOM 1116 CZ ARG A 73 -4.608 -16.375 7.194 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -5.925 -16.271 7.303 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -3.922 -17.051 8.107 1.00 0.00 N ATOM 0 H ARG A 73 -0.981 -13.490 4.468 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.916 -11.401 4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.671 -13.486 6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.089 -12.512 5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.242 -13.566 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.870 -14.579 4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.501 -14.512 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.053 -15.731 4.381 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.962 -15.904 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.455 -15.752 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.408 -16.710 8.087 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.909 -17.133 8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.408 -17.488 8.890 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.767 -9.961 6.139 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.463 -8.934 7.130 1.00 0.00 C ATOM 1134 C LEU A 74 -2.128 -9.561 8.479 1.00 0.00 C ATOM 1135 O LEU A 74 -1.034 -9.367 9.012 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.646 -7.976 7.279 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.767 -6.887 6.212 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.189 -6.351 6.156 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -2.781 -5.761 6.485 1.00 0.00 C ATOM 0 H LEU A 74 -3.688 -9.874 5.710 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.593 -8.376 6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.565 -8.562 7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.577 -7.495 8.255 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.527 -7.326 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.256 -5.577 5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.874 -7.163 5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.457 -5.928 7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.881 -4.995 5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.989 -5.324 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.765 -6.156 6.473 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.075 -10.315 9.027 1.00 0.00 N ATOM 1152 CA LEU A 75 -2.880 -10.973 10.314 1.00 0.00 C ATOM 1153 C LEU A 75 -1.537 -11.694 10.359 1.00 0.00 C ATOM 1154 O LEU A 75 -0.885 -11.750 11.402 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.014 -11.966 10.578 1.00 0.00 C ATOM 1156 CG LEU A 75 -3.822 -13.371 10.006 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -4.920 -14.302 10.498 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -3.798 -13.329 8.485 1.00 0.00 C ATOM 0 H LEU A 75 -3.985 -10.486 8.600 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.887 -10.208 11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.153 -12.050 11.656 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.936 -11.552 10.169 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.864 -13.756 10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.767 -15.297 10.081 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.890 -14.356 11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.890 -13.920 10.180 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.661 -14.338 8.095 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.740 -12.923 8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.976 -12.696 8.151 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.128 -12.243 9.220 1.00 0.00 N ATOM 1171 CA ASP A 76 0.140 -12.958 9.129 1.00 0.00 C ATOM 1172 C ASP A 76 1.316 -12.008 9.333 1.00 0.00 C ATOM 1173 O ASP A 76 2.329 -12.376 9.929 1.00 0.00 O ATOM 1174 CB ASP A 76 0.261 -13.654 7.772 1.00 0.00 C ATOM 1175 CG ASP A 76 -0.301 -15.062 7.792 1.00 0.00 C ATOM 1176 OD1 ASP A 76 -0.273 -15.696 8.867 1.00 0.00 O ATOM 1177 OD2 ASP A 76 -0.766 -15.531 6.731 1.00 0.00 O ATOM 0 H ASP A 76 -1.656 -12.207 8.348 1.00 0.00 H new ATOM 0 HA ASP A 76 0.162 -13.710 9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.263 -13.067 7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.310 -13.689 7.477 1.00 0.00 H new ATOM 1182 N LEU A 77 1.175 -10.785 8.834 1.00 0.00 N ATOM 1183 CA LEU A 77 2.226 -9.781 8.961 1.00 0.00 C ATOM 1184 C LEU A 77 2.101 -9.026 10.280 1.00 0.00 C ATOM 1185 O LEU A 77 2.654 -7.938 10.438 1.00 0.00 O ATOM 1186 CB LEU A 77 2.164 -8.798 7.790 1.00 0.00 C ATOM 1187 CG LEU A 77 2.365 -9.399 6.398 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.691 -8.537 5.342 1.00 0.00 C ATOM 1189 CD2 LEU A 77 3.848 -9.556 6.095 1.00 0.00 C ATOM 0 H LEU A 77 0.343 -10.465 8.338 1.00 0.00 H new ATOM 0 HA LEU A 77 3.188 -10.294 8.947 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.195 -8.298 7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.922 -8.030 7.945 1.00 0.00 H new ATOM 0 HG LEU A 77 1.904 -10.387 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.845 -8.980 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.623 -8.476 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.122 -7.536 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.973 -9.985 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.332 -8.580 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.303 -10.215 6.834 1.00 0.00 H new ATOM 1201 N GLU A 78 1.374 -9.613 11.226 1.00 0.00 N ATOM 1202 CA GLU A 78 1.179 -8.995 12.532 1.00 0.00 C ATOM 1203 C GLU A 78 0.396 -7.691 12.406 1.00 0.00 C ATOM 1204 O GLU A 78 0.611 -6.749 13.169 1.00 0.00 O ATOM 1205 CB GLU A 78 2.529 -8.730 13.202 1.00 0.00 C ATOM 1206 CG GLU A 78 3.413 -9.962 13.300 1.00 0.00 C ATOM 1207 CD GLU A 78 4.870 -9.617 13.539 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.432 -8.835 12.745 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.448 -10.130 14.520 1.00 0.00 O ATOM 0 H GLU A 78 0.911 -10.515 11.112 1.00 0.00 H new ATOM 0 HA GLU A 78 0.604 -9.685 13.150 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.057 -7.958 12.643 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.357 -8.336 14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.056 -10.597 14.111 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.327 -10.541 12.380 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.512 -7.645 11.438 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.327 -6.457 11.210 1.00 0.00 C ATOM 1218 C LEU A 79 -2.805 -6.759 11.435 1.00 0.00 C ATOM 1219 O LEU A 79 -3.678 -6.049 10.936 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.113 -5.931 9.790 1.00 0.00 C ATOM 1221 CG LEU A 79 0.341 -5.774 9.345 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.410 -5.324 7.894 1.00 0.00 C ATOM 1223 CD2 LEU A 79 1.070 -4.787 10.245 1.00 0.00 C ATOM 0 H LEU A 79 -0.703 -8.416 10.798 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.018 -5.693 11.924 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.614 -6.605 9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.605 -4.962 9.705 1.00 0.00 H new ATOM 0 HG LEU A 79 0.832 -6.743 9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.453 -5.218 7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.075 -6.066 7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.098 -4.366 7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.104 -4.687 9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.578 -3.816 10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.052 -5.150 11.273 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.079 -7.817 12.192 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.451 -8.211 12.487 1.00 0.00 C ATOM 1237 C ALA A 80 -5.137 -7.185 13.382 1.00 0.00 C ATOM 1238 O ALA A 80 -6.146 -6.581 13.016 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.477 -9.585 13.140 1.00 0.00 C ATOM 0 H ALA A 80 -2.369 -8.416 12.612 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.999 -8.258 11.546 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.508 -9.866 13.355 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.034 -10.317 12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.908 -9.557 14.069 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.579 -6.981 14.585 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.121 -6.027 15.557 1.00 0.00 C ATOM 1247 C PRO A 81 -4.934 -4.579 15.116 1.00 0.00 C ATOM 1248 O PRO A 81 -5.783 -4.016 14.425 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.307 -6.309 16.822 1.00 0.00 C ATOM 1250 CG PRO A 81 -3.027 -6.890 16.328 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.376 -7.665 15.087 1.00 0.00 C ATOM 0 HA PRO A 81 -6.196 -6.147 15.689 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.133 -5.397 17.392 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.828 -7.003 17.481 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.302 -6.106 16.108 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.577 -7.539 17.080 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.566 -7.641 14.358 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.573 -8.713 15.310 1.00 0.00 H new ATOM 1259 N SER A 82 -3.816 -3.983 15.518 1.00 0.00 N ATOM 1260 CA SER A 82 -3.519 -2.599 15.166 1.00 0.00 C ATOM 1261 C SER A 82 -2.230 -2.509 14.355 1.00 0.00 C ATOM 1262 O SER A 82 -1.236 -3.160 14.675 1.00 0.00 O ATOM 1263 CB SER A 82 -3.401 -1.744 16.429 1.00 0.00 C ATOM 1264 OG SER A 82 -2.125 -1.890 17.027 1.00 0.00 O ATOM 0 H SER A 82 -3.101 -4.436 16.087 1.00 0.00 H new ATOM 0 HA SER A 82 -4.339 -2.221 14.555 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.572 -0.697 16.180 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.175 -2.032 17.141 1.00 0.00 H new ATOM 0 HG SER A 82 -2.075 -1.332 17.831 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.256 -1.697 13.303 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.090 -1.520 12.447 1.00 0.00 C ATOM 1272 C ALA A 83 -0.973 -0.076 11.971 1.00 0.00 C ATOM 1273 O ALA A 83 -1.978 0.604 11.768 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.160 -2.465 11.257 1.00 0.00 C ATOM 0 H ALA A 83 -3.072 -1.152 13.024 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.201 -1.756 13.033 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.283 -2.322 10.626 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.187 -3.495 11.612 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.060 -2.256 10.679 1.00 0.00 H new ATOM 1280 N SER A 84 0.261 0.387 11.797 1.00 0.00 N ATOM 1281 CA SER A 84 0.510 1.752 11.349 1.00 0.00 C ATOM 1282 C SER A 84 1.399 1.764 10.110 1.00 0.00 C ATOM 1283 O SER A 84 2.596 1.485 10.187 1.00 0.00 O ATOM 1284 CB SER A 84 1.163 2.567 12.467 1.00 0.00 C ATOM 1285 OG SER A 84 2.166 1.815 13.127 1.00 0.00 O ATOM 0 H SER A 84 1.104 -0.164 11.960 1.00 0.00 H new ATOM 0 HA SER A 84 -0.448 2.204 11.091 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.599 3.475 12.052 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.405 2.877 13.186 1.00 0.00 H new ATOM 0 HG SER A 84 2.730 1.367 12.462 1.00 0.00 H new ATOM 1291 N VAL A 85 0.805 2.091 8.966 1.00 0.00 N ATOM 1292 CA VAL A 85 1.542 2.141 7.709 1.00 0.00 C ATOM 1293 C VAL A 85 1.751 3.580 7.251 1.00 0.00 C ATOM 1294 O VAL A 85 0.790 4.307 6.996 1.00 0.00 O ATOM 1295 CB VAL A 85 0.813 1.361 6.599 1.00 0.00 C ATOM 1296 CG1 VAL A 85 1.055 -0.133 6.749 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.676 1.673 6.620 1.00 0.00 C ATOM 0 H VAL A 85 -0.184 2.325 8.884 1.00 0.00 H new ATOM 0 HA VAL A 85 2.511 1.677 7.892 1.00 0.00 H new ATOM 0 HB VAL A 85 1.214 1.674 5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.532 -0.668 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.124 -0.337 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.683 -0.466 7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.176 1.114 5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.094 1.389 7.586 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.826 2.741 6.460 1.00 0.00 H new ATOM 1307 N VAL A 86 3.012 3.986 7.148 1.00 0.00 N ATOM 1308 CA VAL A 86 3.347 5.338 6.719 1.00 0.00 C ATOM 1309 C VAL A 86 3.272 5.468 5.202 1.00 0.00 C ATOM 1310 O VAL A 86 3.641 4.549 4.470 1.00 0.00 O ATOM 1311 CB VAL A 86 4.757 5.743 7.189 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.696 6.403 8.558 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.678 4.532 7.213 1.00 0.00 C ATOM 0 H VAL A 86 3.819 3.398 7.356 1.00 0.00 H new ATOM 0 HA VAL A 86 2.615 6.005 7.174 1.00 0.00 H new ATOM 0 HB VAL A 86 5.162 6.467 6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.702 6.682 8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.072 7.295 8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.270 5.706 9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.670 4.836 7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.278 3.784 7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.747 4.107 6.211 1.00 0.00 H new ATOM 1323 N LEU A 87 2.793 6.616 4.735 1.00 0.00 N ATOM 1324 CA LEU A 87 2.669 6.867 3.303 1.00 0.00 C ATOM 1325 C LEU A 87 3.913 7.566 2.764 1.00 0.00 C ATOM 1326 O LEU A 87 4.208 8.704 3.133 1.00 0.00 O ATOM 1327 CB LEU A 87 1.430 7.717 3.020 1.00 0.00 C ATOM 1328 CG LEU A 87 1.029 7.851 1.550 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.477 8.019 1.421 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.756 9.021 0.904 1.00 0.00 C ATOM 0 H LEU A 87 2.484 7.387 5.327 1.00 0.00 H new ATOM 0 HA LEU A 87 2.566 5.907 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.589 7.291 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.600 8.716 3.422 1.00 0.00 H new ATOM 0 HG LEU A 87 1.318 6.938 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.744 8.113 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.978 7.149 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.790 8.916 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.459 9.102 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.499 9.942 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.832 8.858 0.964 1.00 0.00 H new ATOM 1342 N LEU A 88 4.638 6.879 1.888 1.00 0.00 N ATOM 1343 CA LEU A 88 5.850 7.435 1.295 1.00 0.00 C ATOM 1344 C LEU A 88 5.576 7.963 -0.109 1.00 0.00 C ATOM 1345 O LEU A 88 5.522 7.212 -1.082 1.00 0.00 O ATOM 1346 CB LEU A 88 6.951 6.373 1.247 1.00 0.00 C ATOM 1347 CG LEU A 88 7.378 5.789 2.594 1.00 0.00 C ATOM 1348 CD1 LEU A 88 8.093 4.461 2.397 1.00 0.00 C ATOM 1349 CD2 LEU A 88 8.269 6.769 3.342 1.00 0.00 C ATOM 0 H LEU A 88 4.408 5.937 1.573 1.00 0.00 H new ATOM 0 HA LEU A 88 6.182 8.266 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.613 5.556 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.828 6.809 0.768 1.00 0.00 H new ATOM 0 HG LEU A 88 6.484 5.613 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.390 4.060 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.423 3.757 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.979 4.613 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.563 6.336 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.159 6.977 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.724 7.697 3.516 1.00 0.00 H new ATOM 1361 N PRO A 89 5.402 9.289 -0.219 1.00 0.00 N ATOM 1362 CA PRO A 89 5.133 9.948 -1.500 1.00 0.00 C ATOM 1363 C PRO A 89 6.346 9.933 -2.425 1.00 0.00 C ATOM 1364 O PRO A 89 7.479 10.116 -1.982 1.00 0.00 O ATOM 1365 CB PRO A 89 4.789 11.384 -1.095 1.00 0.00 C ATOM 1366 CG PRO A 89 5.474 11.583 0.213 1.00 0.00 C ATOM 1367 CD PRO A 89 5.453 10.246 0.899 1.00 0.00 C ATOM 0 HA PRO A 89 4.342 9.446 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.140 12.100 -1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.712 11.522 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.497 11.932 0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.962 12.337 0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.340 10.097 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.588 10.144 1.555 1.00 0.00 H new ATOM 1375 N ALA A 90 6.099 9.712 -3.712 1.00 0.00 N ATOM 1376 CA ALA A 90 7.171 9.675 -4.700 1.00 0.00 C ATOM 1377 C ALA A 90 7.418 11.058 -5.293 1.00 0.00 C ATOM 1378 O ALA A 90 8.494 11.632 -5.128 1.00 0.00 O ATOM 1379 CB ALA A 90 6.840 8.678 -5.800 1.00 0.00 C ATOM 0 H ALA A 90 5.167 9.556 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 90 8.084 9.355 -4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.649 8.661 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.721 7.685 -5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.913 8.973 -6.292 1.00 0.00 H new ATOM 1385 N GLY A 91 6.415 11.588 -5.986 1.00 0.00 N ATOM 1386 CA GLY A 91 6.545 12.899 -6.595 1.00 0.00 C ATOM 1387 C GLY A 91 5.385 13.230 -7.513 1.00 0.00 C ATOM 1388 O GLY A 91 4.436 13.901 -7.108 1.00 0.00 O ATOM 0 H GLY A 91 5.515 11.133 -6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.612 13.655 -5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.476 12.943 -7.161 1.00 0.00 H new ATOM 1392 N ARG A 92 5.462 12.760 -8.754 1.00 0.00 N ATOM 1393 CA ARG A 92 4.412 13.012 -9.733 1.00 0.00 C ATOM 1394 C ARG A 92 3.275 12.007 -9.581 1.00 0.00 C ATOM 1395 O ARG A 92 3.489 10.797 -9.495 1.00 0.00 O ATOM 1396 CB ARG A 92 4.981 12.945 -11.151 1.00 0.00 C ATOM 1397 CG ARG A 92 4.019 13.443 -12.218 1.00 0.00 C ATOM 1398 CD ARG A 92 4.644 13.386 -13.603 1.00 0.00 C ATOM 1399 NE ARG A 92 5.380 14.606 -13.921 1.00 0.00 N ATOM 1400 CZ ARG A 92 6.018 14.801 -15.070 1.00 0.00 C ATOM 1401 NH1 ARG A 92 6.009 13.860 -16.005 1.00 0.00 N ATOM 1402 NH2 ARG A 92 6.665 15.939 -15.287 1.00 0.00 N ATOM 0 H ARG A 92 6.241 12.203 -9.105 1.00 0.00 H new ATOM 0 HA ARG A 92 4.016 14.012 -9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.896 13.536 -11.194 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.256 11.914 -11.375 1.00 0.00 H new ATOM 0 HG2 ARG A 92 3.112 12.839 -12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 92 3.723 14.468 -11.993 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.317 12.531 -13.662 1.00 0.00 H new ATOM 0 HD3 ARG A 92 3.863 13.229 -14.347 1.00 0.00 H new ATOM 0 HE ARG A 92 5.406 15.349 -13.223 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.512 12.984 -15.843 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.500 14.012 -16.886 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.673 16.666 -14.571 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.154 16.087 -16.170 1.00 0.00 H new ATOM 1416 N PRO A 93 2.034 12.516 -9.547 1.00 0.00 N ATOM 1417 CA PRO A 93 0.838 11.681 -9.406 1.00 0.00 C ATOM 1418 C PRO A 93 0.566 10.843 -10.651 1.00 0.00 C ATOM 1419 O PRO A 93 1.339 10.868 -11.608 1.00 0.00 O ATOM 1420 CB PRO A 93 -0.283 12.700 -9.190 1.00 0.00 C ATOM 1421 CG PRO A 93 0.212 13.949 -9.832 1.00 0.00 C ATOM 1422 CD PRO A 93 1.704 13.948 -9.645 1.00 0.00 C ATOM 0 HA PRO A 93 0.938 10.960 -8.595 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.216 12.365 -9.643 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.481 12.852 -8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.049 13.974 -10.890 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.238 14.829 -9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 93 2.214 14.422 -10.484 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.997 14.490 -8.746 1.00 0.00 H new ATOM 1430 N ALA A 94 -0.538 10.104 -10.631 1.00 0.00 N ATOM 1431 CA ALA A 94 -0.914 9.261 -11.759 1.00 0.00 C ATOM 1432 C ALA A 94 -2.415 8.992 -11.767 1.00 0.00 C ATOM 1433 O ALA A 94 -2.926 8.238 -10.938 1.00 0.00 O ATOM 1434 CB ALA A 94 -0.141 7.952 -11.720 1.00 0.00 C ATOM 0 H ALA A 94 -1.188 10.072 -9.846 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.662 9.791 -12.677 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.432 7.332 -12.568 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.928 8.159 -11.771 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.364 7.425 -10.792 1.00 0.00 H new ATOM 1440 N THR A 95 -3.118 9.613 -12.709 1.00 0.00 N ATOM 1441 CA THR A 95 -4.561 9.441 -12.824 1.00 0.00 C ATOM 1442 C THR A 95 -4.939 7.964 -12.848 1.00 0.00 C ATOM 1443 O THR A 95 -4.271 7.153 -13.490 1.00 0.00 O ATOM 1444 CB THR A 95 -5.108 10.120 -14.094 1.00 0.00 C ATOM 1445 OG1 THR A 95 -4.808 11.520 -14.069 1.00 0.00 O ATOM 1446 CG2 THR A 95 -6.612 9.920 -14.209 1.00 0.00 C ATOM 0 H THR A 95 -2.711 10.240 -13.403 1.00 0.00 H new ATOM 0 HA THR A 95 -5.006 9.913 -11.948 1.00 0.00 H new ATOM 0 HB THR A 95 -4.629 9.662 -14.960 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.158 11.944 -14.880 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.976 10.408 -15.113 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.835 8.854 -14.257 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.104 10.354 -13.339 1.00 0.00 H new ATOM 1454 N SER A 96 -6.014 7.622 -12.145 1.00 0.00 N ATOM 1455 CA SER A 96 -6.479 6.241 -12.083 1.00 0.00 C ATOM 1456 C SER A 96 -8.000 6.184 -11.977 1.00 0.00 C ATOM 1457 O SER A 96 -8.593 6.785 -11.081 1.00 0.00 O ATOM 1458 CB SER A 96 -5.846 5.521 -10.891 1.00 0.00 C ATOM 1459 OG SER A 96 -4.433 5.622 -10.925 1.00 0.00 O ATOM 0 H SER A 96 -6.579 8.282 -11.611 1.00 0.00 H new ATOM 0 HA SER A 96 -6.177 5.740 -13.003 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.222 5.950 -9.962 1.00 0.00 H new ATOM 0 HB3 SER A 96 -6.139 4.471 -10.899 1.00 0.00 H new ATOM 0 HG SER A 96 -4.053 5.155 -10.152 1.00 0.00 H new ATOM 1465 N ILE A 97 -8.624 5.458 -12.898 1.00 0.00 N ATOM 1466 CA ILE A 97 -10.075 5.322 -12.909 1.00 0.00 C ATOM 1467 C ILE A 97 -10.558 4.503 -11.717 1.00 0.00 C ATOM 1468 O ILE A 97 -9.966 3.481 -11.370 1.00 0.00 O ATOM 1469 CB ILE A 97 -10.568 4.657 -14.207 1.00 0.00 C ATOM 1470 CG1 ILE A 97 -10.139 5.481 -15.423 1.00 0.00 C ATOM 1471 CG2 ILE A 97 -12.081 4.495 -14.178 1.00 0.00 C ATOM 1472 CD1 ILE A 97 -10.114 4.689 -16.712 1.00 0.00 C ATOM 0 H ILE A 97 -8.147 4.955 -13.646 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.487 6.329 -12.847 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.117 3.668 -14.284 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.819 6.325 -15.538 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.147 5.894 -15.240 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.414 4.023 -15.103 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.364 3.871 -13.330 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.550 5.474 -14.081 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -9.801 5.337 -17.531 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.412 3.860 -16.616 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -11.111 4.299 -16.919 1.00 0.00 H new ATOM 1484 N VAL A 98 -11.640 4.959 -11.093 1.00 0.00 N ATOM 1485 CA VAL A 98 -12.206 4.268 -9.940 1.00 0.00 C ATOM 1486 C VAL A 98 -13.461 3.493 -10.326 1.00 0.00 C ATOM 1487 O VAL A 98 -14.250 3.943 -11.158 1.00 0.00 O ATOM 1488 CB VAL A 98 -12.552 5.253 -8.808 1.00 0.00 C ATOM 1489 CG1 VAL A 98 -11.299 5.963 -8.317 1.00 0.00 C ATOM 1490 CG2 VAL A 98 -13.594 6.258 -9.277 1.00 0.00 C ATOM 0 H VAL A 98 -12.142 5.804 -11.367 1.00 0.00 H new ATOM 0 HA VAL A 98 -11.447 3.571 -9.585 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.972 4.690 -7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.563 6.655 -7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.588 5.228 -7.941 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.848 6.516 -9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -13.827 6.946 -8.465 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -13.203 6.818 -10.126 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -14.500 5.730 -9.576 1.00 0.00 H new ATOM 1500 N HIS A 99 -13.641 2.326 -9.715 1.00 0.00 N ATOM 1501 CA HIS A 99 -14.803 1.489 -9.994 1.00 0.00 C ATOM 1502 C HIS A 99 -15.646 1.294 -8.738 1.00 0.00 C ATOM 1503 O HIS A 99 -15.274 0.540 -7.839 1.00 0.00 O ATOM 1504 CB HIS A 99 -14.359 0.131 -10.540 1.00 0.00 C ATOM 1505 CG HIS A 99 -13.508 0.229 -11.769 1.00 0.00 C ATOM 1506 ND1 HIS A 99 -12.517 -0.681 -12.072 1.00 0.00 N ATOM 1507 CD2 HIS A 99 -13.507 1.134 -12.775 1.00 0.00 C ATOM 1508 CE1 HIS A 99 -11.941 -0.338 -13.210 1.00 0.00 C ATOM 1509 NE2 HIS A 99 -12.523 0.760 -13.657 1.00 0.00 N ATOM 0 H HIS A 99 -12.998 1.939 -9.024 1.00 0.00 H new ATOM 0 HA HIS A 99 -15.412 1.993 -10.744 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -13.805 -0.399 -9.766 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -15.242 -0.467 -10.766 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -14.158 1.991 -12.867 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.132 -0.866 -13.693 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -12.281 1.251 -14.518 1.00 0.00 H new ATOM 1518 N SER A 100 -16.783 1.981 -8.682 1.00 0.00 N ATOM 1519 CA SER A 100 -17.677 1.887 -7.534 1.00 0.00 C ATOM 1520 C SER A 100 -19.073 1.448 -7.967 1.00 0.00 C ATOM 1521 O SER A 100 -19.652 2.009 -8.896 1.00 0.00 O ATOM 1522 CB SER A 100 -17.756 3.233 -6.811 1.00 0.00 C ATOM 1523 OG SER A 100 -16.521 3.552 -6.192 1.00 0.00 O ATOM 0 H SER A 100 -17.106 2.609 -9.418 1.00 0.00 H new ATOM 0 HA SER A 100 -17.274 1.138 -6.852 1.00 0.00 H new ATOM 0 HB2 SER A 100 -18.024 4.016 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 100 -18.545 3.200 -6.060 1.00 0.00 H new ATOM 0 HG SER A 100 -16.596 4.417 -5.738 1.00 0.00 H new ATOM 1529 N SER A 101 -19.606 0.439 -7.285 1.00 0.00 N ATOM 1530 CA SER A 101 -20.932 -0.080 -7.600 1.00 0.00 C ATOM 1531 C SER A 101 -21.568 -0.726 -6.373 1.00 0.00 C ATOM 1532 O SER A 101 -20.940 -1.533 -5.687 1.00 0.00 O ATOM 1533 CB SER A 101 -20.847 -1.096 -8.740 1.00 0.00 C ATOM 1534 OG SER A 101 -22.104 -1.258 -9.374 1.00 0.00 O ATOM 0 H SER A 101 -19.140 -0.035 -6.511 1.00 0.00 H new ATOM 0 HA SER A 101 -21.558 0.756 -7.914 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.108 -0.767 -9.470 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.506 -2.056 -8.351 1.00 0.00 H new ATOM 0 HG SER A 101 -22.022 -1.911 -10.100 1.00 0.00 H new ATOM 1540 N SER A 102 -22.819 -0.366 -6.104 1.00 0.00 N ATOM 1541 CA SER A 102 -23.540 -0.907 -4.958 1.00 0.00 C ATOM 1542 C SER A 102 -24.959 -1.310 -5.350 1.00 0.00 C ATOM 1543 O SER A 102 -25.460 -0.917 -6.402 1.00 0.00 O ATOM 1544 CB SER A 102 -23.584 0.120 -3.825 1.00 0.00 C ATOM 1545 OG SER A 102 -23.887 -0.499 -2.587 1.00 0.00 O ATOM 0 H SER A 102 -23.354 0.298 -6.664 1.00 0.00 H new ATOM 0 HA SER A 102 -23.011 -1.795 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 102 -22.623 0.630 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 102 -24.333 0.880 -4.048 1.00 0.00 H new ATOM 0 HG SER A 102 -23.908 0.178 -1.879 1.00 0.00 H new ATOM 1551 N GLY A 103 -25.601 -2.099 -4.493 1.00 0.00 N ATOM 1552 CA GLY A 103 -26.955 -2.543 -4.767 1.00 0.00 C ATOM 1553 C GLY A 103 -27.984 -1.828 -3.913 1.00 0.00 C ATOM 1554 O GLY A 103 -27.875 -1.806 -2.687 1.00 0.00 O ATOM 0 H GLY A 103 -25.208 -2.438 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -27.182 -2.377 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -27.025 -3.617 -4.592 1.00 0.00 H new ATOM 1558 N ASP A 104 -28.983 -1.241 -4.561 1.00 0.00 N ATOM 1559 CA ASP A 104 -30.035 -0.520 -3.854 1.00 0.00 C ATOM 1560 C ASP A 104 -31.414 -0.993 -4.302 1.00 0.00 C ATOM 1561 O ASP A 104 -32.372 -0.966 -3.529 1.00 0.00 O ATOM 1562 CB ASP A 104 -29.898 0.985 -4.087 1.00 0.00 C ATOM 1563 CG ASP A 104 -30.753 1.799 -3.135 1.00 0.00 C ATOM 1564 OD1 ASP A 104 -30.730 1.508 -1.921 1.00 0.00 O ATOM 1565 OD2 ASP A 104 -31.444 2.727 -3.605 1.00 0.00 O ATOM 0 H ASP A 104 -29.087 -1.250 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 104 -29.928 -0.726 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -28.854 1.274 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -30.180 1.218 -5.114 1.00 0.00 H new ATOM 1570 N ILE A 105 -31.507 -1.425 -5.555 1.00 0.00 N ATOM 1571 CA ILE A 105 -32.769 -1.904 -6.106 1.00 0.00 C ATOM 1572 C ILE A 105 -32.862 -3.424 -6.026 1.00 0.00 C ATOM 1573 O ILE A 105 -31.896 -4.133 -6.313 1.00 0.00 O ATOM 1574 CB ILE A 105 -32.944 -1.467 -7.573 1.00 0.00 C ATOM 1575 CG1 ILE A 105 -32.788 0.050 -7.698 1.00 0.00 C ATOM 1576 CG2 ILE A 105 -34.302 -1.910 -8.098 1.00 0.00 C ATOM 1577 CD1 ILE A 105 -32.712 0.533 -9.129 1.00 0.00 C ATOM 0 H ILE A 105 -30.724 -1.453 -6.208 1.00 0.00 H new ATOM 0 HA ILE A 105 -33.564 -1.462 -5.506 1.00 0.00 H new ATOM 0 HB ILE A 105 -32.170 -1.944 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -33.629 0.536 -7.203 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -31.886 0.359 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -34.412 -1.594 -9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -34.378 -2.996 -8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -35.090 -1.458 -7.496 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -32.602 1.617 -9.142 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -31.854 0.075 -9.622 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -33.625 0.255 -9.656 1.00 0.00 H new ATOM 1589 N LEU A 106 -34.031 -3.919 -5.636 1.00 0.00 N ATOM 1590 CA LEU A 106 -34.253 -5.356 -5.519 1.00 0.00 C ATOM 1591 C LEU A 106 -35.737 -5.690 -5.635 1.00 0.00 C ATOM 1592 O LEU A 106 -36.595 -4.862 -5.329 1.00 0.00 O ATOM 1593 CB LEU A 106 -33.705 -5.870 -4.186 1.00 0.00 C ATOM 1594 CG LEU A 106 -33.813 -4.910 -3.001 1.00 0.00 C ATOM 1595 CD1 LEU A 106 -35.151 -5.079 -2.298 1.00 0.00 C ATOM 1596 CD2 LEU A 106 -32.664 -5.133 -2.028 1.00 0.00 C ATOM 0 H LEU A 106 -34.840 -3.347 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 106 -33.725 -5.848 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -34.230 -6.791 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -32.655 -6.129 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 106 -33.750 -3.889 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -35.210 -4.388 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -35.959 -4.868 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -35.244 -6.102 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -32.757 -4.441 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -32.695 -6.158 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -31.716 -4.960 -2.538 1.00 0.00 H new ATOM 1608 N MET A 107 -36.032 -6.908 -6.075 1.00 0.00 N ATOM 1609 CA MET A 107 -37.413 -7.352 -6.227 1.00 0.00 C ATOM 1610 C MET A 107 -37.735 -8.474 -5.245 1.00 0.00 C ATOM 1611 O MET A 107 -36.858 -9.254 -4.871 1.00 0.00 O ATOM 1612 CB MET A 107 -37.664 -7.825 -7.660 1.00 0.00 C ATOM 1613 CG MET A 107 -39.138 -7.908 -8.024 1.00 0.00 C ATOM 1614 SD MET A 107 -39.406 -8.500 -9.705 1.00 0.00 S ATOM 1615 CE MET A 107 -40.585 -7.292 -10.306 1.00 0.00 C ATOM 0 H MET A 107 -35.334 -7.606 -6.333 1.00 0.00 H new ATOM 0 HA MET A 107 -38.066 -6.506 -6.011 1.00 0.00 H new ATOM 0 HB2 MET A 107 -37.165 -7.145 -8.351 1.00 0.00 H new ATOM 0 HB3 MET A 107 -37.209 -8.806 -7.795 1.00 0.00 H new ATOM 0 HG2 MET A 107 -39.644 -8.573 -7.324 1.00 0.00 H new ATOM 0 HG3 MET A 107 -39.592 -6.923 -7.913 1.00 0.00 H new ATOM 0 HE1 MET A 107 -40.850 -7.524 -11.338 1.00 0.00 H new ATOM 0 HE2 MET A 107 -41.481 -7.319 -9.686 1.00 0.00 H new ATOM 0 HE3 MET A 107 -40.142 -6.297 -10.260 1.00 0.00 H new ATOM 1625 N ILE A 108 -38.995 -8.548 -4.832 1.00 0.00 N ATOM 1626 CA ILE A 108 -39.431 -9.575 -3.894 1.00 0.00 C ATOM 1627 C ILE A 108 -40.520 -10.451 -4.505 1.00 0.00 C ATOM 1628 O ILE A 108 -41.507 -9.949 -5.041 1.00 0.00 O ATOM 1629 CB ILE A 108 -39.960 -8.956 -2.586 1.00 0.00 C ATOM 1630 CG1 ILE A 108 -38.879 -8.096 -1.930 1.00 0.00 C ATOM 1631 CG2 ILE A 108 -40.428 -10.047 -1.635 1.00 0.00 C ATOM 1632 CD1 ILE A 108 -38.767 -6.708 -2.523 1.00 0.00 C ATOM 0 H ILE A 108 -39.732 -7.910 -5.132 1.00 0.00 H new ATOM 0 HA ILE A 108 -38.558 -10.188 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 108 -40.812 -8.318 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -39.091 -8.011 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -37.918 -8.601 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -40.799 -9.594 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -41.227 -10.621 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -39.594 -10.709 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -37.981 -6.155 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -38.524 -6.784 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -39.716 -6.184 -2.405 1.00 0.00 H new ATOM 1644 N ASP A 109 -40.333 -11.764 -4.418 1.00 0.00 N ATOM 1645 CA ASP A 109 -41.300 -12.711 -4.960 1.00 0.00 C ATOM 1646 C ASP A 109 -42.418 -12.979 -3.958 1.00 0.00 C ATOM 1647 O ASP A 109 -42.314 -13.878 -3.123 1.00 0.00 O ATOM 1648 CB ASP A 109 -40.607 -14.023 -5.333 1.00 0.00 C ATOM 1649 CG ASP A 109 -39.572 -13.841 -6.426 1.00 0.00 C ATOM 1650 OD1 ASP A 109 -39.757 -12.944 -7.275 1.00 0.00 O ATOM 1651 OD2 ASP A 109 -38.577 -14.595 -6.432 1.00 0.00 O ATOM 0 H ASP A 109 -39.521 -12.196 -3.977 1.00 0.00 H new ATOM 0 HA ASP A 109 -41.738 -12.273 -5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -40.127 -14.441 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -41.355 -14.745 -5.661 1.00 0.00 H new TER 1656 ASP A 109