USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 782 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 26 CYS SG : rot -22:sc= -2.93 USER MOD Set 1.2: A 71 HIS : no HE2:sc= -6.72! C(o=-9.7!,f=-11!) USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc= 0.971 USER MOD Set 2.2: A 73 SER OG : rot -111:sc= 1.05 USER MOD Set 3.1: A 25 ASN :FLIP amide:sc= 0.878 F(o=0.65,f=1.5) USER MOD Set 3.2: A 27 THR OG1 : rot -170:sc= 0.669 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.082 (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 8 ASN : amide:sc= 0.168 K(o=0.17,f=-1.5) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.96) USER MOD Single : A 19 ASN : amide:sc= -1.42! C(o=-1.4!,f=-2.3!) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 21 SER OG : rot -130:sc= -0.382 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 148:sc= 0.0515 USER MOD Single : A 30 CYS SG : rot -169:sc= 0.0591 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 167:sc= -1.09 (180deg=-1.81) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 73:sc= 0.0246 USER MOD Single : A 47 SER OG : rot 180:sc= -0.117 USER MOD Single : A 51 GLN : amide:sc= -0.0413 K(o=-0.041,f=-0.65) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -89:sc= 1.31 USER MOD Single : A 64 SER OG : rot -110:sc= -0.808 USER MOD Single : A 69 SER OG : rot 180:sc= -0.132 USER MOD Single : A 76 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=-0.24) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.01 K(o=-2,f=-2.6!) USER MOD Single : A 84 THR OG1 : rot -74:sc= -0.155 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.245 F(o=-1,f=-0.24) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot -120:sc= -2.23 USER MOD Single : A 94 TYR OH : rot 35:sc= -1.02 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 26:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.739 -20.944 -16.760 1.00 0.00 N ATOM 2 CA GLY A 1 -7.755 -19.773 -15.904 1.00 0.00 C ATOM 3 C GLY A 1 -7.154 -20.045 -14.539 1.00 0.00 C ATOM 4 O GLY A 1 -6.590 -21.113 -14.303 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.075 -20.791 -17.546 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.437 -21.773 -16.209 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.693 -21.109 -17.140 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.203 -18.966 -16.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.782 -19.429 -15.783 1.00 0.00 H new ATOM 8 N SER A 2 -7.274 -19.075 -13.637 1.00 0.00 N ATOM 9 CA SER A 2 -6.733 -19.213 -12.290 1.00 0.00 C ATOM 10 C SER A 2 -7.287 -18.131 -11.369 1.00 0.00 C ATOM 11 O SER A 2 -7.708 -17.068 -11.825 1.00 0.00 O ATOM 12 CB SER A 2 -5.205 -19.140 -12.321 1.00 0.00 C ATOM 13 OG SER A 2 -4.627 -20.334 -11.823 1.00 0.00 O ATOM 0 H SER A 2 -7.741 -18.186 -13.815 1.00 0.00 H new ATOM 0 HA SER A 2 -7.035 -20.186 -11.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.867 -18.967 -13.343 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.866 -18.292 -11.725 1.00 0.00 H new ATOM 0 HG SER A 2 -3.650 -20.263 -11.855 1.00 0.00 H new ATOM 19 N SER A 3 -7.283 -18.409 -10.069 1.00 0.00 N ATOM 20 CA SER A 3 -7.788 -17.462 -9.082 1.00 0.00 C ATOM 21 C SER A 3 -7.408 -17.895 -7.670 1.00 0.00 C ATOM 22 O SER A 3 -7.683 -19.020 -7.257 1.00 0.00 O ATOM 23 CB SER A 3 -9.308 -17.336 -9.197 1.00 0.00 C ATOM 24 OG SER A 3 -9.754 -16.083 -8.705 1.00 0.00 O ATOM 0 H SER A 3 -6.935 -19.283 -9.675 1.00 0.00 H new ATOM 0 HA SER A 3 -7.334 -16.491 -9.280 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.608 -17.449 -10.239 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.786 -18.141 -8.639 1.00 0.00 H new ATOM 0 HG SER A 3 -10.729 -16.026 -8.791 1.00 0.00 H new ATOM 30 N GLY A 4 -6.771 -16.990 -6.931 1.00 0.00 N ATOM 31 CA GLY A 4 -6.363 -17.295 -5.573 1.00 0.00 C ATOM 32 C GLY A 4 -7.107 -16.467 -4.543 1.00 0.00 C ATOM 33 O GLY A 4 -8.070 -15.776 -4.872 1.00 0.00 O ATOM 0 H GLY A 4 -6.531 -16.051 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.533 -18.353 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.292 -17.119 -5.471 1.00 0.00 H new ATOM 37 N SER A 5 -6.659 -16.538 -3.294 1.00 0.00 N ATOM 38 CA SER A 5 -7.292 -15.794 -2.212 1.00 0.00 C ATOM 39 C SER A 5 -6.448 -15.857 -0.943 1.00 0.00 C ATOM 40 O SER A 5 -5.814 -16.872 -0.656 1.00 0.00 O ATOM 41 CB SER A 5 -8.692 -16.345 -1.936 1.00 0.00 C ATOM 42 OG SER A 5 -9.548 -15.335 -1.430 1.00 0.00 O ATOM 0 H SER A 5 -5.860 -17.103 -3.006 1.00 0.00 H new ATOM 0 HA SER A 5 -7.375 -14.752 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.112 -16.755 -2.854 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.629 -17.165 -1.220 1.00 0.00 H new ATOM 0 HG SER A 5 -10.437 -15.713 -1.264 1.00 0.00 H new ATOM 48 N SER A 6 -6.447 -14.764 -0.186 1.00 0.00 N ATOM 49 CA SER A 6 -5.679 -14.693 1.052 1.00 0.00 C ATOM 50 C SER A 6 -5.821 -13.320 1.702 1.00 0.00 C ATOM 51 O SER A 6 -5.789 -12.293 1.024 1.00 0.00 O ATOM 52 CB SER A 6 -4.202 -14.990 0.779 1.00 0.00 C ATOM 53 OG SER A 6 -3.395 -14.622 1.884 1.00 0.00 O ATOM 0 H SER A 6 -6.969 -13.916 -0.408 1.00 0.00 H new ATOM 0 HA SER A 6 -6.073 -15.443 1.738 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.074 -16.052 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.877 -14.448 -0.109 1.00 0.00 H new ATOM 0 HG SER A 6 -2.457 -14.823 1.685 1.00 0.00 H new ATOM 59 N GLY A 7 -5.979 -13.310 3.021 1.00 0.00 N ATOM 60 CA GLY A 7 -6.124 -12.059 3.742 1.00 0.00 C ATOM 61 C GLY A 7 -5.274 -12.009 4.995 1.00 0.00 C ATOM 62 O GLY A 7 -4.633 -12.995 5.358 1.00 0.00 O ATOM 0 H GLY A 7 -6.009 -14.146 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.849 -11.232 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.171 -11.918 4.011 1.00 0.00 H new ATOM 66 N ASN A 8 -5.267 -10.858 5.659 1.00 0.00 N ATOM 67 CA ASN A 8 -4.485 -10.682 6.878 1.00 0.00 C ATOM 68 C ASN A 8 -5.388 -10.686 8.108 1.00 0.00 C ATOM 69 O ASN A 8 -6.615 -10.704 7.991 1.00 0.00 O ATOM 70 CB ASN A 8 -3.693 -9.375 6.817 1.00 0.00 C ATOM 71 CG ASN A 8 -2.348 -9.482 7.511 1.00 0.00 C ATOM 72 OD1 ASN A 8 -2.243 -9.280 8.720 1.00 0.00 O ATOM 73 ND2 ASN A 8 -1.312 -9.801 6.744 1.00 0.00 N ATOM 0 H ASN A 8 -5.794 -10.033 5.374 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.789 -11.517 6.957 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.540 -9.094 5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.275 -8.578 7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.382 -9.887 7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.446 -9.960 5.745 1.00 0.00 H new ATOM 80 N THR A 9 -4.774 -10.667 9.286 1.00 0.00 N ATOM 81 CA THR A 9 -5.522 -10.669 10.538 1.00 0.00 C ATOM 82 C THR A 9 -5.490 -9.296 11.199 1.00 0.00 C ATOM 83 O THR A 9 -4.787 -8.392 10.744 1.00 0.00 O ATOM 84 CB THR A 9 -4.965 -11.713 11.524 1.00 0.00 C ATOM 85 OG1 THR A 9 -3.572 -11.475 11.754 1.00 0.00 O ATOM 86 CG2 THR A 9 -5.160 -13.123 10.986 1.00 0.00 C ATOM 0 H THR A 9 -3.761 -10.650 9.400 1.00 0.00 H new ATOM 0 HA THR A 9 -6.552 -10.927 10.290 1.00 0.00 H new ATOM 0 HB THR A 9 -5.510 -11.620 12.463 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.226 -12.142 12.383 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.759 -13.843 11.699 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.223 -13.312 10.838 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.638 -13.225 10.035 1.00 0.00 H new ATOM 94 N LYS A 10 -6.256 -9.144 12.274 1.00 0.00 N ATOM 95 CA LYS A 10 -6.315 -7.881 13.000 1.00 0.00 C ATOM 96 C LYS A 10 -6.844 -6.764 12.105 1.00 0.00 C ATOM 97 O LYS A 10 -6.314 -6.520 11.023 1.00 0.00 O ATOM 98 CB LYS A 10 -4.929 -7.509 13.531 1.00 0.00 C ATOM 99 CG LYS A 10 -4.523 -8.291 14.770 1.00 0.00 C ATOM 100 CD LYS A 10 -4.925 -7.566 16.043 1.00 0.00 C ATOM 101 CE LYS A 10 -5.285 -8.544 17.151 1.00 0.00 C ATOM 102 NZ LYS A 10 -5.645 -7.842 18.414 1.00 0.00 N ATOM 0 H LYS A 10 -6.845 -9.881 12.662 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.998 -8.005 13.840 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.191 -7.678 12.747 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.911 -6.444 13.762 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.989 -9.276 14.749 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.444 -8.448 14.765 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.106 -6.926 16.373 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.776 -6.916 15.840 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.121 -9.165 16.830 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.443 -9.212 17.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.884 -8.543 19.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.839 -7.269 18.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.464 -7.224 18.246 1.00 0.00 H new ATOM 116 N GLN A 11 -7.891 -6.088 12.568 1.00 0.00 N ATOM 117 CA GLN A 11 -8.490 -4.996 11.810 1.00 0.00 C ATOM 118 C GLN A 11 -8.154 -3.648 12.439 1.00 0.00 C ATOM 119 O GLN A 11 -7.511 -3.582 13.487 1.00 0.00 O ATOM 120 CB GLN A 11 -10.008 -5.173 11.736 1.00 0.00 C ATOM 121 CG GLN A 11 -10.682 -5.228 13.096 1.00 0.00 C ATOM 122 CD GLN A 11 -11.970 -4.431 13.143 1.00 0.00 C ATOM 123 OE1 GLN A 11 -12.081 -3.371 12.525 1.00 0.00 O ATOM 124 NE2 GLN A 11 -12.954 -4.936 13.878 1.00 0.00 N ATOM 0 H GLN A 11 -8.341 -6.277 13.463 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.078 -5.018 10.801 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.434 -4.350 11.162 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.232 -6.090 11.192 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.893 -6.267 13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.996 -4.847 13.853 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.820 -5.817 14.374 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.844 -4.443 13.947 1.00 0.00 H new ATOM 133 N LEU A 12 -8.591 -2.573 11.790 1.00 0.00 N ATOM 134 CA LEU A 12 -8.335 -1.226 12.285 1.00 0.00 C ATOM 135 C LEU A 12 -9.627 -0.416 12.351 1.00 0.00 C ATOM 136 O LEU A 12 -10.266 -0.166 11.329 1.00 0.00 O ATOM 137 CB LEU A 12 -7.320 -0.515 11.388 1.00 0.00 C ATOM 138 CG LEU A 12 -5.864 -0.959 11.539 1.00 0.00 C ATOM 139 CD1 LEU A 12 -5.022 -0.424 10.392 1.00 0.00 C ATOM 140 CD2 LEU A 12 -5.303 -0.499 12.877 1.00 0.00 C ATOM 0 H LEU A 12 -9.124 -2.609 10.921 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.926 -1.307 13.292 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.618 -0.661 10.350 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.375 0.555 11.588 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.830 -2.048 11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.989 -0.750 10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.411 -0.803 9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.061 0.665 10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.266 -0.823 12.968 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.349 0.588 12.937 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.891 -0.932 13.686 1.00 0.00 H new ATOM 152 N ARG A 13 -10.002 -0.008 13.559 1.00 0.00 N ATOM 153 CA ARG A 13 -11.216 0.774 13.758 1.00 0.00 C ATOM 154 C ARG A 13 -11.087 2.152 13.115 1.00 0.00 C ATOM 155 O ARG A 13 -10.197 2.929 13.463 1.00 0.00 O ATOM 156 CB ARG A 13 -11.515 0.921 15.251 1.00 0.00 C ATOM 157 CG ARG A 13 -12.295 -0.245 15.835 1.00 0.00 C ATOM 158 CD ARG A 13 -13.791 0.029 15.834 1.00 0.00 C ATOM 159 NE ARG A 13 -14.533 -0.986 15.091 1.00 0.00 N ATOM 160 CZ ARG A 13 -15.859 -1.043 15.049 1.00 0.00 C ATOM 161 NH1 ARG A 13 -16.585 -0.148 15.703 1.00 0.00 N ATOM 162 NH2 ARG A 13 -16.461 -1.996 14.350 1.00 0.00 N ATOM 0 H ARG A 13 -9.483 -0.206 14.414 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.041 0.245 13.280 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.575 1.025 15.792 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.079 1.840 15.411 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.089 -1.147 15.259 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.959 -0.434 16.855 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.154 0.064 16.861 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.980 1.009 15.396 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.004 -1.690 14.576 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.125 0.587 16.240 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.603 -0.194 15.669 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.905 -2.686 13.844 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.480 -2.039 14.318 1.00 0.00 H new ATOM 176 N PHE A 14 -11.979 2.448 12.177 1.00 0.00 N ATOM 177 CA PHE A 14 -11.964 3.731 11.484 1.00 0.00 C ATOM 178 C PHE A 14 -11.843 4.883 12.478 1.00 0.00 C ATOM 179 O PHE A 14 -11.128 5.854 12.234 1.00 0.00 O ATOM 180 CB PHE A 14 -13.232 3.898 10.645 1.00 0.00 C ATOM 181 CG PHE A 14 -13.398 5.277 10.076 1.00 0.00 C ATOM 182 CD1 PHE A 14 -14.019 6.274 10.810 1.00 0.00 C ATOM 183 CD2 PHE A 14 -12.932 5.577 8.805 1.00 0.00 C ATOM 184 CE1 PHE A 14 -14.174 7.545 10.288 1.00 0.00 C ATOM 185 CE2 PHE A 14 -13.083 6.846 8.279 1.00 0.00 C ATOM 186 CZ PHE A 14 -13.704 7.832 9.021 1.00 0.00 C ATOM 0 H PHE A 14 -12.722 1.817 11.879 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.096 3.749 10.824 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.215 3.176 9.828 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.099 3.661 11.261 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.387 6.056 11.802 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.446 4.811 8.220 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.662 8.313 10.870 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.715 7.067 7.288 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.822 8.824 8.612 1.00 0.00 H new ATOM 196 N GLU A 15 -12.550 4.768 13.598 1.00 0.00 N ATOM 197 CA GLU A 15 -12.522 5.801 14.627 1.00 0.00 C ATOM 198 C GLU A 15 -11.149 5.874 15.288 1.00 0.00 C ATOM 199 O GLU A 15 -10.707 6.943 15.708 1.00 0.00 O ATOM 200 CB GLU A 15 -13.595 5.527 15.684 1.00 0.00 C ATOM 201 CG GLU A 15 -15.014 5.713 15.173 1.00 0.00 C ATOM 202 CD GLU A 15 -16.041 4.994 16.027 1.00 0.00 C ATOM 203 OE1 GLU A 15 -16.033 3.746 16.039 1.00 0.00 O ATOM 204 OE2 GLU A 15 -16.853 5.681 16.682 1.00 0.00 O ATOM 0 H GLU A 15 -13.148 3.971 13.816 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.727 6.759 14.150 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.480 4.507 16.050 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.434 6.190 16.534 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.250 6.777 15.146 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.078 5.346 14.149 1.00 0.00 H new ATOM 211 N ASP A 16 -10.481 4.730 15.378 1.00 0.00 N ATOM 212 CA ASP A 16 -9.158 4.662 15.987 1.00 0.00 C ATOM 213 C ASP A 16 -8.080 5.083 14.993 1.00 0.00 C ATOM 214 O ASP A 16 -7.026 5.587 15.380 1.00 0.00 O ATOM 215 CB ASP A 16 -8.877 3.247 16.495 1.00 0.00 C ATOM 216 CG ASP A 16 -8.243 3.241 17.871 1.00 0.00 C ATOM 217 OD1 ASP A 16 -8.667 4.050 18.724 1.00 0.00 O ATOM 218 OD2 ASP A 16 -7.322 2.428 18.097 1.00 0.00 O ATOM 0 H ASP A 16 -10.834 3.836 15.037 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.138 5.352 16.831 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.809 2.683 16.525 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.218 2.736 15.793 1.00 0.00 H new ATOM 223 N VAL A 17 -8.350 4.869 13.709 1.00 0.00 N ATOM 224 CA VAL A 17 -7.404 5.227 12.659 1.00 0.00 C ATOM 225 C VAL A 17 -7.371 6.734 12.437 1.00 0.00 C ATOM 226 O VAL A 17 -6.317 7.310 12.171 1.00 0.00 O ATOM 227 CB VAL A 17 -7.752 4.530 11.329 1.00 0.00 C ATOM 228 CG1 VAL A 17 -6.718 4.863 10.266 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.861 3.026 11.528 1.00 0.00 C ATOM 0 H VAL A 17 -9.216 4.449 13.371 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.422 4.891 12.991 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.720 4.898 10.988 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.980 4.362 9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.696 5.941 10.105 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.736 4.525 10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.107 2.550 10.579 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.910 2.637 11.893 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.644 2.811 12.255 1.00 0.00 H new ATOM 239 N VAL A 18 -8.535 7.368 12.548 1.00 0.00 N ATOM 240 CA VAL A 18 -8.639 8.811 12.361 1.00 0.00 C ATOM 241 C VAL A 18 -8.179 9.561 13.607 1.00 0.00 C ATOM 242 O VAL A 18 -8.915 10.378 14.158 1.00 0.00 O ATOM 243 CB VAL A 18 -10.083 9.230 12.027 1.00 0.00 C ATOM 244 CG1 VAL A 18 -10.541 8.579 10.731 1.00 0.00 C ATOM 245 CG2 VAL A 18 -11.019 8.875 13.172 1.00 0.00 C ATOM 0 H VAL A 18 -9.418 6.906 12.766 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.990 9.070 11.524 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.107 10.311 11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.563 8.886 10.511 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.886 8.889 9.917 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.503 7.495 10.835 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.035 9.178 12.919 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.993 7.799 13.343 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.700 9.393 14.076 1.00 0.00 H new ATOM 255 N ASN A 19 -6.956 9.278 14.043 1.00 0.00 N ATOM 256 CA ASN A 19 -6.397 9.926 15.224 1.00 0.00 C ATOM 257 C ASN A 19 -5.035 9.335 15.576 1.00 0.00 C ATOM 258 O ASN A 19 -4.191 10.008 16.167 1.00 0.00 O ATOM 259 CB ASN A 19 -7.351 9.779 16.412 1.00 0.00 C ATOM 260 CG ASN A 19 -6.850 8.780 17.436 1.00 0.00 C ATOM 261 OD1 ASN A 19 -5.790 8.965 18.034 1.00 0.00 O ATOM 262 ND2 ASN A 19 -7.613 7.712 17.643 1.00 0.00 N ATOM 0 H ASN A 19 -6.333 8.605 13.597 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.267 10.985 14.999 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.484 10.750 16.890 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.330 9.465 16.051 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.327 7.005 18.320 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.484 7.599 17.125 1.00 0.00 H new ATOM 269 N GLN A 20 -4.830 8.074 15.207 1.00 0.00 N ATOM 270 CA GLN A 20 -3.572 7.393 15.484 1.00 0.00 C ATOM 271 C GLN A 20 -2.384 8.310 15.205 1.00 0.00 C ATOM 272 O GLN A 20 -1.372 8.259 15.904 1.00 0.00 O ATOM 273 CB GLN A 20 -3.459 6.122 14.640 1.00 0.00 C ATOM 274 CG GLN A 20 -3.671 4.844 15.435 1.00 0.00 C ATOM 275 CD GLN A 20 -3.818 3.623 14.549 1.00 0.00 C ATOM 276 OE1 GLN A 20 -4.930 3.186 14.252 1.00 0.00 O ATOM 277 NE2 GLN A 20 -2.692 3.064 14.120 1.00 0.00 N ATOM 0 H GLN A 20 -5.519 7.504 14.716 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.559 7.122 16.540 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.192 6.165 13.834 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.474 6.091 14.174 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.829 4.698 16.112 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.563 4.949 16.053 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.791 3.459 14.390 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.728 2.240 13.520 1.00 0.00 H new ATOM 286 N SER A 21 -2.516 9.145 14.180 1.00 0.00 N ATOM 287 CA SER A 21 -1.452 10.070 13.807 1.00 0.00 C ATOM 288 C SER A 21 -1.995 11.487 13.649 1.00 0.00 C ATOM 289 O SER A 21 -1.533 12.249 12.800 1.00 0.00 O ATOM 290 CB SER A 21 -0.788 9.618 12.505 1.00 0.00 C ATOM 291 OG SER A 21 0.178 8.609 12.748 1.00 0.00 O ATOM 0 H SER A 21 -3.348 9.200 13.593 1.00 0.00 H new ATOM 0 HA SER A 21 -0.709 10.071 14.604 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.546 9.242 11.818 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.313 10.471 12.020 1.00 0.00 H new ATOM 0 HG SER A 21 1.019 8.849 12.306 1.00 0.00 H new ATOM 297 N SER A 22 -2.978 11.833 14.474 1.00 0.00 N ATOM 298 CA SER A 22 -3.587 13.157 14.424 1.00 0.00 C ATOM 299 C SER A 22 -4.195 13.424 13.050 1.00 0.00 C ATOM 300 O SER A 22 -3.671 13.002 12.018 1.00 0.00 O ATOM 301 CB SER A 22 -2.550 14.231 14.754 1.00 0.00 C ATOM 302 OG SER A 22 -2.313 14.301 16.149 1.00 0.00 O ATOM 0 H SER A 22 -3.370 11.215 15.185 1.00 0.00 H new ATOM 0 HA SER A 22 -4.384 13.192 15.167 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.617 14.012 14.234 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.897 15.199 14.392 1.00 0.00 H new ATOM 0 HG SER A 22 -1.645 14.994 16.333 1.00 0.00 H new ATOM 308 N PRO A 23 -5.328 14.142 13.035 1.00 0.00 N ATOM 309 CA PRO A 23 -6.031 14.484 11.795 1.00 0.00 C ATOM 310 C PRO A 23 -5.263 15.495 10.951 1.00 0.00 C ATOM 311 O PRO A 23 -5.110 15.322 9.742 1.00 0.00 O ATOM 312 CB PRO A 23 -7.347 15.090 12.289 1.00 0.00 C ATOM 313 CG PRO A 23 -7.036 15.611 13.651 1.00 0.00 C ATOM 314 CD PRO A 23 -6.008 14.678 14.226 1.00 0.00 C ATOM 0 HA PRO A 23 -6.161 13.616 11.149 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.688 15.887 11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.139 14.342 12.322 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.653 16.630 13.601 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.931 15.637 14.273 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.314 15.201 14.883 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.470 13.886 14.816 1.00 0.00 H new ATOM 322 N LYS A 24 -4.780 16.551 11.596 1.00 0.00 N ATOM 323 CA LYS A 24 -4.025 17.589 10.906 1.00 0.00 C ATOM 324 C LYS A 24 -3.131 16.987 9.826 1.00 0.00 C ATOM 325 O LYS A 24 -3.001 17.542 8.736 1.00 0.00 O ATOM 326 CB LYS A 24 -3.175 18.379 11.904 1.00 0.00 C ATOM 327 CG LYS A 24 -2.442 17.503 12.906 1.00 0.00 C ATOM 328 CD LYS A 24 -1.484 18.315 13.761 1.00 0.00 C ATOM 329 CE LYS A 24 -0.189 17.558 14.019 1.00 0.00 C ATOM 330 NZ LYS A 24 0.943 18.480 14.314 1.00 0.00 N ATOM 0 H LYS A 24 -4.898 16.710 12.597 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.736 18.263 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.447 18.976 11.355 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.817 19.075 12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.165 16.999 13.547 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.890 16.727 12.376 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.262 19.259 13.264 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.960 18.559 14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.329 16.875 14.857 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.056 16.949 13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.807 17.926 14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.093 19.116 13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.721 19.043 15.160 1.00 0.00 H new ATOM 344 N ASN A 25 -2.521 15.848 10.137 1.00 0.00 N ATOM 345 CA ASN A 25 -1.642 15.170 9.192 1.00 0.00 C ATOM 346 C ASN A 25 -2.299 13.905 8.649 1.00 0.00 C ATOM 347 O ASN A 25 -2.726 13.038 9.413 1.00 0.00 O ATOM 348 CB ASN A 25 -0.312 14.821 9.862 1.00 0.00 C ATOM 349 CG ASN A 25 0.301 13.551 9.303 1.00 0.00 C ATOM 350 OD1 ASN A 25 0.281 12.486 10.095 1.00 0.00 O flip ATOM 351 ND2 ASN A 25 0.787 13.529 8.172 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.619 15.376 11.036 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.455 15.846 8.358 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.386 15.647 9.729 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.468 14.704 10.934 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.781 14.372 7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.196 12.668 7.809 1.00 0.00 H new ATOM 358 N CYS A 26 -2.375 13.805 7.326 1.00 0.00 N ATOM 359 CA CYS A 26 -2.979 12.646 6.680 1.00 0.00 C ATOM 360 C CYS A 26 -2.001 11.994 5.709 1.00 0.00 C ATOM 361 O CYS A 26 -1.786 12.489 4.602 1.00 0.00 O ATOM 362 CB CYS A 26 -4.255 13.054 5.943 1.00 0.00 C ATOM 363 SG CYS A 26 -5.175 14.389 6.743 1.00 0.00 S ATOM 0 H CYS A 26 -2.026 14.513 6.680 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.232 11.920 7.453 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.994 13.363 4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.904 12.183 5.853 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.857 14.441 8.002 1.00 0.00 H new ATOM 369 N THR A 27 -1.412 10.879 6.128 1.00 0.00 N ATOM 370 CA THR A 27 -0.455 10.161 5.297 1.00 0.00 C ATOM 371 C THR A 27 -0.794 8.676 5.224 1.00 0.00 C ATOM 372 O THR A 27 -1.425 8.129 6.129 1.00 0.00 O ATOM 373 CB THR A 27 0.983 10.321 5.827 1.00 0.00 C ATOM 374 OG1 THR A 27 1.201 11.672 6.248 1.00 0.00 O ATOM 375 CG2 THR A 27 1.998 9.948 4.758 1.00 0.00 C ATOM 0 H THR A 27 -1.581 10.453 7.039 1.00 0.00 H new ATOM 0 HA THR A 27 -0.517 10.595 4.299 1.00 0.00 H new ATOM 0 HB THR A 27 1.111 9.650 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.154 11.807 6.434 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.006 10.069 5.155 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.848 8.910 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.869 10.597 3.892 1.00 0.00 H new ATOM 383 N VAL A 28 -0.372 8.029 4.144 1.00 0.00 N ATOM 384 CA VAL A 28 -0.630 6.607 3.954 1.00 0.00 C ATOM 385 C VAL A 28 0.633 5.872 3.518 1.00 0.00 C ATOM 386 O VAL A 28 1.086 6.017 2.382 1.00 0.00 O ATOM 387 CB VAL A 28 -1.735 6.371 2.909 1.00 0.00 C ATOM 388 CG1 VAL A 28 -1.774 4.909 2.492 1.00 0.00 C ATOM 389 CG2 VAL A 28 -3.086 6.814 3.451 1.00 0.00 C ATOM 0 H VAL A 28 0.151 8.467 3.386 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.961 6.215 4.916 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.508 6.970 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.562 4.762 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.814 4.628 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.975 4.287 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.855 6.640 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.322 6.244 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.050 7.876 3.694 1.00 0.00 H new ATOM 399 N TYR A 29 1.195 5.083 4.426 1.00 0.00 N ATOM 400 CA TYR A 29 2.407 4.326 4.136 1.00 0.00 C ATOM 401 C TYR A 29 2.069 2.921 3.647 1.00 0.00 C ATOM 402 O TYR A 29 1.474 2.125 4.376 1.00 0.00 O ATOM 403 CB TYR A 29 3.294 4.246 5.380 1.00 0.00 C ATOM 404 CG TYR A 29 4.568 3.461 5.166 1.00 0.00 C ATOM 405 CD1 TYR A 29 4.564 2.071 5.195 1.00 0.00 C ATOM 406 CD2 TYR A 29 5.776 4.108 4.935 1.00 0.00 C ATOM 407 CE1 TYR A 29 5.726 1.350 5.000 1.00 0.00 C ATOM 408 CE2 TYR A 29 6.942 3.395 4.738 1.00 0.00 C ATOM 409 CZ TYR A 29 6.913 2.016 4.772 1.00 0.00 C ATOM 410 OH TYR A 29 8.073 1.302 4.577 1.00 0.00 O ATOM 0 H TYR A 29 0.831 4.951 5.370 1.00 0.00 H new ATOM 0 HA TYR A 29 2.948 4.845 3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.549 5.256 5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.727 3.789 6.191 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.637 1.546 5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.803 5.187 4.909 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.706 0.271 5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.872 3.914 4.558 1.00 0.00 H new ATOM 0 HH TYR A 29 8.659 1.791 3.963 1.00 0.00 H new ATOM 420 N CYS A 30 2.450 2.624 2.411 1.00 0.00 N ATOM 421 CA CYS A 30 2.188 1.316 1.823 1.00 0.00 C ATOM 422 C CYS A 30 3.464 0.482 1.760 1.00 0.00 C ATOM 423 O CYS A 30 4.379 0.786 0.997 1.00 0.00 O ATOM 424 CB CYS A 30 1.597 1.472 0.421 1.00 0.00 C ATOM 425 SG CYS A 30 0.406 0.188 -0.026 1.00 0.00 S ATOM 0 H CYS A 30 2.942 3.272 1.796 1.00 0.00 H new ATOM 0 HA CYS A 30 1.468 0.799 2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.110 2.445 0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.409 1.468 -0.306 1.00 0.00 H new ATOM 0 HG CYS A 30 0.143 0.264 -1.297 1.00 0.00 H new ATOM 431 N GLY A 31 3.516 -0.572 2.568 1.00 0.00 N ATOM 432 CA GLY A 31 4.686 -1.432 2.590 1.00 0.00 C ATOM 433 C GLY A 31 4.352 -2.871 2.248 1.00 0.00 C ATOM 434 O GLY A 31 3.330 -3.400 2.683 1.00 0.00 O ATOM 0 H GLY A 31 2.770 -0.846 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.424 -1.055 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.144 -1.393 3.579 1.00 0.00 H new ATOM 438 N GLY A 32 5.218 -3.506 1.463 1.00 0.00 N ATOM 439 CA GLY A 32 4.993 -4.886 1.074 1.00 0.00 C ATOM 440 C GLY A 32 5.533 -5.193 -0.309 1.00 0.00 C ATOM 441 O GLY A 32 6.277 -6.157 -0.490 1.00 0.00 O ATOM 0 H GLY A 32 6.071 -3.089 1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.466 -5.547 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.924 -5.098 1.099 1.00 0.00 H new ATOM 445 N ILE A 33 5.156 -4.375 -1.285 1.00 0.00 N ATOM 446 CA ILE A 33 5.607 -4.566 -2.657 1.00 0.00 C ATOM 447 C ILE A 33 7.120 -4.412 -2.765 1.00 0.00 C ATOM 448 O ILE A 33 7.724 -3.608 -2.057 1.00 0.00 O ATOM 449 CB ILE A 33 4.931 -3.568 -3.617 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.413 -3.589 -3.424 1.00 0.00 C ATOM 451 CG2 ILE A 33 5.292 -3.892 -5.059 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.765 -2.233 -3.584 1.00 0.00 C ATOM 0 H ILE A 33 4.539 -3.574 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 33 5.326 -5.580 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 33 5.293 -2.566 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.973 -4.280 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.187 -3.976 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.807 -3.178 -5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.373 -3.830 -5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.955 -4.900 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.689 -2.324 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.177 -1.543 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.960 -1.852 -4.586 1.00 0.00 H new ATOM 464 N ALA A 34 7.726 -5.188 -3.657 1.00 0.00 N ATOM 465 CA ALA A 34 9.168 -5.135 -3.861 1.00 0.00 C ATOM 466 C ALA A 34 9.515 -5.162 -5.346 1.00 0.00 C ATOM 467 O ALA A 34 10.403 -4.440 -5.799 1.00 0.00 O ATOM 468 CB ALA A 34 9.847 -6.290 -3.138 1.00 0.00 C ATOM 0 H ALA A 34 7.241 -5.861 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 34 9.533 -4.195 -3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.924 -6.238 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.636 -6.225 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.468 -7.235 -3.526 1.00 0.00 H new ATOM 474 N SER A 35 8.810 -5.999 -6.098 1.00 0.00 N ATOM 475 CA SER A 35 9.046 -6.124 -7.532 1.00 0.00 C ATOM 476 C SER A 35 7.840 -5.630 -8.326 1.00 0.00 C ATOM 477 O SER A 35 7.699 -5.928 -9.511 1.00 0.00 O ATOM 478 CB SER A 35 9.350 -7.578 -7.897 1.00 0.00 C ATOM 479 OG SER A 35 10.530 -7.673 -8.675 1.00 0.00 O ATOM 0 H SER A 35 8.070 -6.602 -5.739 1.00 0.00 H new ATOM 0 HA SER A 35 9.906 -5.506 -7.788 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.462 -8.169 -6.988 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.511 -8.000 -8.450 1.00 0.00 H new ATOM 0 HG SER A 35 10.703 -8.613 -8.894 1.00 0.00 H new ATOM 485 N GLY A 36 6.972 -4.872 -7.662 1.00 0.00 N ATOM 486 CA GLY A 36 5.789 -4.349 -8.321 1.00 0.00 C ATOM 487 C GLY A 36 5.375 -2.996 -7.777 1.00 0.00 C ATOM 488 O GLY A 36 4.192 -2.753 -7.534 1.00 0.00 O ATOM 0 H GLY A 36 7.067 -4.611 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.980 -4.264 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.967 -5.054 -8.199 1.00 0.00 H new ATOM 492 N LEU A 37 6.349 -2.114 -7.584 1.00 0.00 N ATOM 493 CA LEU A 37 6.079 -0.778 -7.064 1.00 0.00 C ATOM 494 C LEU A 37 6.159 0.265 -8.174 1.00 0.00 C ATOM 495 O LEU A 37 7.238 0.554 -8.693 1.00 0.00 O ATOM 496 CB LEU A 37 7.070 -0.433 -5.951 1.00 0.00 C ATOM 497 CG LEU A 37 6.459 0.036 -4.630 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.529 0.637 -3.731 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.348 1.044 -4.885 1.00 0.00 C ATOM 0 H LEU A 37 7.333 -2.300 -7.780 1.00 0.00 H new ATOM 0 HA LEU A 37 5.068 -0.771 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.683 -1.312 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.739 0.347 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 37 6.030 -0.828 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.076 0.965 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.291 -0.113 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.987 1.490 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.924 1.367 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.754 1.907 -5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.569 0.581 -5.491 1.00 0.00 H new ATOM 511 N THR A 38 5.010 0.829 -8.533 1.00 0.00 N ATOM 512 CA THR A 38 4.950 1.842 -9.580 1.00 0.00 C ATOM 513 C THR A 38 3.905 2.903 -9.259 1.00 0.00 C ATOM 514 O THR A 38 2.794 2.585 -8.833 1.00 0.00 O ATOM 515 CB THR A 38 4.625 1.214 -10.950 1.00 0.00 C ATOM 516 OG1 THR A 38 3.486 0.355 -10.837 1.00 0.00 O ATOM 517 CG2 THR A 38 5.813 0.424 -11.478 1.00 0.00 C ATOM 0 H THR A 38 4.108 0.601 -8.114 1.00 0.00 H new ATOM 0 HA THR A 38 5.934 2.309 -9.626 1.00 0.00 H new ATOM 0 HB THR A 38 4.404 2.019 -11.651 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.285 -0.039 -11.712 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.560 -0.010 -12.445 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.670 1.088 -11.591 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.061 -0.373 -10.777 1.00 0.00 H new ATOM 525 N ASP A 39 4.266 4.164 -9.469 1.00 0.00 N ATOM 526 CA ASP A 39 3.357 5.274 -9.204 1.00 0.00 C ATOM 527 C ASP A 39 1.954 4.961 -9.714 1.00 0.00 C ATOM 528 O ASP A 39 0.961 5.265 -9.052 1.00 0.00 O ATOM 529 CB ASP A 39 3.877 6.555 -9.859 1.00 0.00 C ATOM 530 CG ASP A 39 3.629 7.782 -9.006 1.00 0.00 C ATOM 531 OD1 ASP A 39 2.453 8.178 -8.861 1.00 0.00 O ATOM 532 OD2 ASP A 39 4.611 8.349 -8.482 1.00 0.00 O ATOM 0 H ASP A 39 5.181 4.443 -9.822 1.00 0.00 H new ATOM 0 HA ASP A 39 3.308 5.421 -8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.946 6.456 -10.046 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.395 6.686 -10.828 1.00 0.00 H new ATOM 537 N GLN A 40 1.880 4.352 -10.893 1.00 0.00 N ATOM 538 CA GLN A 40 0.598 4.001 -11.492 1.00 0.00 C ATOM 539 C GLN A 40 -0.181 3.050 -10.589 1.00 0.00 C ATOM 540 O GLN A 40 -1.392 3.197 -10.412 1.00 0.00 O ATOM 541 CB GLN A 40 0.810 3.361 -12.864 1.00 0.00 C ATOM 542 CG GLN A 40 -0.481 2.932 -13.543 1.00 0.00 C ATOM 543 CD GLN A 40 -0.311 2.705 -15.032 1.00 0.00 C ATOM 544 OE1 GLN A 40 -0.171 3.654 -15.804 1.00 0.00 O ATOM 545 NE2 GLN A 40 -0.321 1.443 -15.444 1.00 0.00 N ATOM 0 H GLN A 40 2.692 4.092 -11.452 1.00 0.00 H new ATOM 0 HA GLN A 40 0.019 4.916 -11.612 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.332 4.068 -13.509 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.459 2.492 -12.754 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.844 2.015 -13.079 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.243 3.694 -13.380 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.440 0.687 -14.769 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.210 1.229 -16.435 1.00 0.00 H new ATOM 554 N LEU A 41 0.519 2.074 -10.021 1.00 0.00 N ATOM 555 CA LEU A 41 -0.107 1.098 -9.137 1.00 0.00 C ATOM 556 C LEU A 41 -0.762 1.786 -7.943 1.00 0.00 C ATOM 557 O LEU A 41 -1.985 1.789 -7.812 1.00 0.00 O ATOM 558 CB LEU A 41 0.929 0.083 -8.650 1.00 0.00 C ATOM 559 CG LEU A 41 0.411 -1.009 -7.714 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.558 -1.925 -8.447 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.569 -1.809 -7.135 1.00 0.00 C ATOM 0 H LEU A 41 1.521 1.938 -10.157 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.880 0.577 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.377 -0.395 -9.521 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.726 0.624 -8.139 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.123 -0.533 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.916 -2.696 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.404 -1.342 -8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.049 -2.394 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.181 -2.582 -6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.131 -2.275 -7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.226 -1.144 -6.574 1.00 0.00 H new ATOM 573 N MET A 42 0.061 2.368 -7.078 1.00 0.00 N ATOM 574 CA MET A 42 -0.439 3.062 -5.896 1.00 0.00 C ATOM 575 C MET A 42 -1.557 4.031 -6.269 1.00 0.00 C ATOM 576 O MET A 42 -2.625 4.026 -5.656 1.00 0.00 O ATOM 577 CB MET A 42 0.697 3.816 -5.203 1.00 0.00 C ATOM 578 CG MET A 42 1.714 2.905 -4.537 1.00 0.00 C ATOM 579 SD MET A 42 0.983 1.861 -3.263 1.00 0.00 S ATOM 580 CE MET A 42 0.766 0.328 -4.164 1.00 0.00 C ATOM 0 H MET A 42 1.077 2.373 -7.172 1.00 0.00 H new ATOM 0 HA MET A 42 -0.842 2.317 -5.209 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.207 4.441 -5.936 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.274 4.484 -4.453 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.181 2.275 -5.294 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.504 3.512 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.543 -0.477 -3.464 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.058 0.434 -4.870 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.681 0.093 -4.708 1.00 0.00 H new ATOM 590 N ARG A 43 -1.304 4.862 -7.273 1.00 0.00 N ATOM 591 CA ARG A 43 -2.288 5.837 -7.725 1.00 0.00 C ATOM 592 C ARG A 43 -3.600 5.153 -8.099 1.00 0.00 C ATOM 593 O ARG A 43 -4.681 5.649 -7.784 1.00 0.00 O ATOM 594 CB ARG A 43 -1.749 6.621 -8.924 1.00 0.00 C ATOM 595 CG ARG A 43 -2.608 7.815 -9.307 1.00 0.00 C ATOM 596 CD ARG A 43 -2.206 8.379 -10.661 1.00 0.00 C ATOM 597 NE ARG A 43 -3.087 9.463 -11.087 1.00 0.00 N ATOM 598 CZ ARG A 43 -3.138 9.923 -12.331 1.00 0.00 C ATOM 599 NH1 ARG A 43 -2.362 9.397 -13.268 1.00 0.00 N ATOM 600 NH2 ARG A 43 -3.966 10.913 -12.640 1.00 0.00 N ATOM 0 H ARG A 43 -0.425 4.880 -7.790 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.480 6.528 -6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.741 6.967 -8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.671 5.951 -9.780 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.656 7.517 -9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.515 8.590 -8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.180 8.744 -10.611 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.225 7.583 -11.405 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.697 9.890 -10.390 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.724 8.637 -13.034 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.403 9.752 -14.223 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.564 11.321 -11.921 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.005 11.266 -13.596 1.00 0.00 H new ATOM 614 N GLN A 44 -3.495 4.013 -8.774 1.00 0.00 N ATOM 615 CA GLN A 44 -4.673 3.262 -9.192 1.00 0.00 C ATOM 616 C GLN A 44 -5.304 2.536 -8.009 1.00 0.00 C ATOM 617 O GLN A 44 -6.499 2.238 -8.014 1.00 0.00 O ATOM 618 CB GLN A 44 -4.302 2.256 -10.284 1.00 0.00 C ATOM 619 CG GLN A 44 -5.448 1.936 -11.230 1.00 0.00 C ATOM 620 CD GLN A 44 -5.011 1.090 -12.409 1.00 0.00 C ATOM 621 OE1 GLN A 44 -4.361 1.580 -13.333 1.00 0.00 O ATOM 622 NE2 GLN A 44 -5.367 -0.189 -12.385 1.00 0.00 N ATOM 0 H GLN A 44 -2.607 3.589 -9.043 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.400 3.969 -9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.465 2.650 -10.860 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.960 1.333 -9.815 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.231 1.412 -10.682 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.883 2.866 -11.596 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.906 -0.554 -11.599 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.102 -0.807 -13.152 1.00 0.00 H new ATOM 631 N THR A 45 -4.494 2.252 -6.994 1.00 0.00 N ATOM 632 CA THR A 45 -4.971 1.560 -5.804 1.00 0.00 C ATOM 633 C THR A 45 -5.750 2.502 -4.895 1.00 0.00 C ATOM 634 O THR A 45 -6.800 2.141 -4.361 1.00 0.00 O ATOM 635 CB THR A 45 -3.806 0.943 -5.007 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.299 -0.208 -5.692 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.256 0.550 -3.608 1.00 0.00 C ATOM 0 H THR A 45 -3.503 2.491 -6.973 1.00 0.00 H new ATOM 0 HA THR A 45 -5.630 0.762 -6.146 1.00 0.00 H new ATOM 0 HB THR A 45 -3.017 1.690 -4.921 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.792 0.078 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.417 0.117 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.614 1.433 -3.079 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.061 -0.182 -3.677 1.00 0.00 H new ATOM 645 N PHE A 46 -5.233 3.714 -4.723 1.00 0.00 N ATOM 646 CA PHE A 46 -5.880 4.710 -3.877 1.00 0.00 C ATOM 647 C PHE A 46 -6.787 5.617 -4.703 1.00 0.00 C ATOM 648 O PHE A 46 -7.655 6.304 -4.163 1.00 0.00 O ATOM 649 CB PHE A 46 -4.831 5.549 -3.144 1.00 0.00 C ATOM 650 CG PHE A 46 -3.970 4.748 -2.209 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.477 4.284 -1.006 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.655 4.461 -2.534 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.687 3.547 -0.143 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.860 3.724 -1.676 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.377 3.268 -0.478 1.00 0.00 C ATOM 0 H PHE A 46 -4.367 4.030 -5.159 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.491 4.185 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.195 6.043 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.335 6.334 -2.579 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.501 4.500 -0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.246 4.817 -3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.094 3.190 0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.836 3.505 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.757 2.694 0.195 1.00 0.00 H new ATOM 665 N SER A 47 -6.579 5.615 -6.016 1.00 0.00 N ATOM 666 CA SER A 47 -7.373 6.442 -6.917 1.00 0.00 C ATOM 667 C SER A 47 -8.818 6.539 -6.433 1.00 0.00 C ATOM 668 O SER A 47 -9.330 7.619 -6.139 1.00 0.00 O ATOM 669 CB SER A 47 -7.337 5.868 -8.335 1.00 0.00 C ATOM 670 OG SER A 47 -8.585 6.031 -8.984 1.00 0.00 O ATOM 0 H SER A 47 -5.867 5.050 -6.479 1.00 0.00 H new ATOM 0 HA SER A 47 -6.942 7.443 -6.926 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.556 6.364 -8.912 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.080 4.809 -8.296 1.00 0.00 H new ATOM 0 HG SER A 47 -8.535 5.657 -9.889 1.00 0.00 H new ATOM 676 N PRO A 48 -9.491 5.382 -6.350 1.00 0.00 N ATOM 677 CA PRO A 48 -10.886 5.309 -5.902 1.00 0.00 C ATOM 678 C PRO A 48 -11.034 5.617 -4.416 1.00 0.00 C ATOM 679 O PRO A 48 -11.878 6.421 -4.020 1.00 0.00 O ATOM 680 CB PRO A 48 -11.274 3.857 -6.188 1.00 0.00 C ATOM 681 CG PRO A 48 -9.987 3.107 -6.161 1.00 0.00 C ATOM 682 CD PRO A 48 -8.944 4.057 -6.684 1.00 0.00 C ATOM 0 HA PRO A 48 -11.516 6.041 -6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.968 3.478 -5.438 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.767 3.762 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.746 2.781 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.044 2.211 -6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.976 3.891 -6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.798 3.942 -7.758 1.00 0.00 H new ATOM 690 N PHE A 49 -10.209 4.972 -3.597 1.00 0.00 N ATOM 691 CA PHE A 49 -10.249 5.178 -2.154 1.00 0.00 C ATOM 692 C PHE A 49 -10.382 6.660 -1.820 1.00 0.00 C ATOM 693 O PHE A 49 -10.918 7.027 -0.774 1.00 0.00 O ATOM 694 CB PHE A 49 -8.989 4.606 -1.501 1.00 0.00 C ATOM 695 CG PHE A 49 -9.135 3.175 -1.068 1.00 0.00 C ATOM 696 CD1 PHE A 49 -10.123 2.806 -0.169 1.00 0.00 C ATOM 697 CD2 PHE A 49 -8.283 2.199 -1.559 1.00 0.00 C ATOM 698 CE1 PHE A 49 -10.260 1.491 0.231 1.00 0.00 C ATOM 699 CE2 PHE A 49 -8.416 0.881 -1.163 1.00 0.00 C ATOM 700 CZ PHE A 49 -9.405 0.527 -0.265 1.00 0.00 C ATOM 0 H PHE A 49 -9.505 4.303 -3.908 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.122 4.656 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.159 4.682 -2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.730 5.215 -0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.794 3.556 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.506 2.471 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.035 1.217 0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.748 0.129 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.509 -0.501 0.048 1.00 0.00 H new ATOM 710 N GLY A 50 -9.887 7.510 -2.715 1.00 0.00 N ATOM 711 CA GLY A 50 -9.959 8.943 -2.497 1.00 0.00 C ATOM 712 C GLY A 50 -9.036 9.716 -3.417 1.00 0.00 C ATOM 713 O GLY A 50 -8.629 9.213 -4.464 1.00 0.00 O ATOM 0 H GLY A 50 -9.437 7.231 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.984 9.280 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.702 9.163 -1.461 1.00 0.00 H new ATOM 717 N GLN A 51 -8.707 10.944 -3.027 1.00 0.00 N ATOM 718 CA GLN A 51 -7.828 11.789 -3.828 1.00 0.00 C ATOM 719 C GLN A 51 -6.409 11.781 -3.269 1.00 0.00 C ATOM 720 O GLN A 51 -6.210 11.745 -2.055 1.00 0.00 O ATOM 721 CB GLN A 51 -8.364 13.221 -3.870 1.00 0.00 C ATOM 722 CG GLN A 51 -8.585 13.746 -5.281 1.00 0.00 C ATOM 723 CD GLN A 51 -9.777 14.678 -5.376 1.00 0.00 C ATOM 724 OE1 GLN A 51 -10.181 15.291 -4.387 1.00 0.00 O ATOM 725 NE2 GLN A 51 -10.346 14.791 -6.570 1.00 0.00 N ATOM 0 H GLN A 51 -9.035 11.375 -2.163 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.802 11.388 -4.841 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.306 13.264 -3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.665 13.877 -3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.690 14.272 -5.613 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.731 12.905 -5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.978 14.264 -7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.151 15.405 -6.695 1.00 0.00 H new ATOM 734 N ILE A 52 -5.426 11.814 -4.163 1.00 0.00 N ATOM 735 CA ILE A 52 -4.027 11.811 -3.760 1.00 0.00 C ATOM 736 C ILE A 52 -3.331 13.102 -4.178 1.00 0.00 C ATOM 737 O ILE A 52 -3.622 13.662 -5.235 1.00 0.00 O ATOM 738 CB ILE A 52 -3.269 10.614 -4.364 1.00 0.00 C ATOM 739 CG1 ILE A 52 -4.039 9.316 -4.112 1.00 0.00 C ATOM 740 CG2 ILE A 52 -1.866 10.527 -3.780 1.00 0.00 C ATOM 741 CD1 ILE A 52 -3.752 8.237 -5.133 1.00 0.00 C ATOM 0 H ILE A 52 -5.574 11.843 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.013 11.729 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.185 10.761 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.789 8.942 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.108 9.531 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.342 9.676 -4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.321 11.443 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.929 10.399 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.331 7.345 -4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.028 8.593 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.689 7.994 -5.117 1.00 0.00 H new ATOM 753 N MET A 53 -2.408 13.569 -3.342 1.00 0.00 N ATOM 754 CA MET A 53 -1.669 14.792 -3.627 1.00 0.00 C ATOM 755 C MET A 53 -0.257 14.475 -4.109 1.00 0.00 C ATOM 756 O MET A 53 0.190 14.991 -5.132 1.00 0.00 O ATOM 757 CB MET A 53 -1.608 15.679 -2.382 1.00 0.00 C ATOM 758 CG MET A 53 -2.874 15.633 -1.542 1.00 0.00 C ATOM 759 SD MET A 53 -4.369 15.507 -2.542 1.00 0.00 S ATOM 760 CE MET A 53 -4.537 17.197 -3.114 1.00 0.00 C ATOM 0 H MET A 53 -2.155 13.118 -2.463 1.00 0.00 H new ATOM 0 HA MET A 53 -2.193 15.326 -4.420 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.762 15.371 -1.767 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.422 16.708 -2.688 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.824 14.782 -0.863 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.929 16.530 -0.926 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.420 17.281 -3.747 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.641 17.863 -2.257 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.652 17.477 -3.686 1.00 0.00 H new ATOM 770 N GLU A 54 0.440 13.622 -3.363 1.00 0.00 N ATOM 771 CA GLU A 54 1.802 13.238 -3.715 1.00 0.00 C ATOM 772 C GLU A 54 2.010 11.739 -3.523 1.00 0.00 C ATOM 773 O GLU A 54 1.529 11.154 -2.552 1.00 0.00 O ATOM 774 CB GLU A 54 2.810 14.017 -2.867 1.00 0.00 C ATOM 775 CG GLU A 54 4.203 14.069 -3.473 1.00 0.00 C ATOM 776 CD GLU A 54 4.910 15.382 -3.198 1.00 0.00 C ATOM 777 OE1 GLU A 54 4.580 16.033 -2.185 1.00 0.00 O ATOM 778 OE2 GLU A 54 5.794 15.756 -3.997 1.00 0.00 O ATOM 0 H GLU A 54 0.084 13.185 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 54 1.961 13.478 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.445 15.035 -2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.870 13.561 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.800 13.249 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.133 13.917 -4.550 1.00 0.00 H new ATOM 785 N ILE A 55 2.731 11.123 -4.455 1.00 0.00 N ATOM 786 CA ILE A 55 3.004 9.693 -4.389 1.00 0.00 C ATOM 787 C ILE A 55 4.499 9.414 -4.490 1.00 0.00 C ATOM 788 O ILE A 55 5.155 9.826 -5.446 1.00 0.00 O ATOM 789 CB ILE A 55 2.273 8.928 -5.507 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.759 9.092 -5.363 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.657 7.456 -5.481 1.00 0.00 C ATOM 792 CD1 ILE A 55 -0.037 8.125 -6.211 1.00 0.00 C ATOM 0 H ILE A 55 3.136 11.593 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 55 2.637 9.346 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 55 2.574 9.345 -6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.485 8.956 -4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.485 10.111 -5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.132 6.929 -6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.732 7.358 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.382 7.025 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.102 8.299 -6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.208 8.276 -7.262 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.208 7.102 -5.924 1.00 0.00 H new ATOM 804 N ARG A 56 5.032 8.709 -3.496 1.00 0.00 N ATOM 805 CA ARG A 56 6.451 8.374 -3.474 1.00 0.00 C ATOM 806 C ARG A 56 6.650 6.864 -3.369 1.00 0.00 C ATOM 807 O ARG A 56 6.419 6.268 -2.317 1.00 0.00 O ATOM 808 CB ARG A 56 7.144 9.073 -2.303 1.00 0.00 C ATOM 809 CG ARG A 56 8.334 9.921 -2.718 1.00 0.00 C ATOM 810 CD ARG A 56 9.335 9.116 -3.532 1.00 0.00 C ATOM 811 NE ARG A 56 9.832 9.863 -4.684 1.00 0.00 N ATOM 812 CZ ARG A 56 10.610 10.936 -4.584 1.00 0.00 C ATOM 813 NH1 ARG A 56 10.979 11.382 -3.392 1.00 0.00 N ATOM 814 NH2 ARG A 56 11.021 11.563 -5.678 1.00 0.00 N ATOM 0 H ARG A 56 4.503 8.360 -2.697 1.00 0.00 H new ATOM 0 HA ARG A 56 6.895 8.719 -4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.420 9.705 -1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.476 8.321 -1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.988 10.773 -3.304 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.824 10.322 -1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.173 8.831 -2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.866 8.193 -3.874 1.00 0.00 H new ATOM 0 HE ARG A 56 9.568 9.544 -5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.666 10.902 -2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.576 12.206 -3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.740 11.222 -6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.618 12.386 -5.600 1.00 0.00 H new ATOM 828 N VAL A 57 7.082 6.253 -4.467 1.00 0.00 N ATOM 829 CA VAL A 57 7.314 4.813 -4.499 1.00 0.00 C ATOM 830 C VAL A 57 8.785 4.488 -4.261 1.00 0.00 C ATOM 831 O VAL A 57 9.670 5.075 -4.883 1.00 0.00 O ATOM 832 CB VAL A 57 6.876 4.203 -5.844 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.471 4.661 -6.205 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.864 4.569 -6.941 1.00 0.00 C ATOM 0 H VAL A 57 7.279 6.732 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 57 6.714 4.378 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 57 6.864 3.118 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.178 4.220 -7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.774 4.344 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.452 5.748 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.539 4.130 -7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.910 5.653 -7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.852 4.186 -6.684 1.00 0.00 H new ATOM 844 N PHE A 58 9.038 3.548 -3.355 1.00 0.00 N ATOM 845 CA PHE A 58 10.402 3.145 -3.035 1.00 0.00 C ATOM 846 C PHE A 58 10.621 1.669 -3.354 1.00 0.00 C ATOM 847 O PHE A 58 10.520 0.799 -2.490 1.00 0.00 O ATOM 848 CB PHE A 58 10.700 3.408 -1.557 1.00 0.00 C ATOM 849 CG PHE A 58 10.955 4.855 -1.245 1.00 0.00 C ATOM 850 CD1 PHE A 58 9.919 5.775 -1.266 1.00 0.00 C ATOM 851 CD2 PHE A 58 12.231 5.294 -0.930 1.00 0.00 C ATOM 852 CE1 PHE A 58 10.152 7.106 -0.982 1.00 0.00 C ATOM 853 CE2 PHE A 58 12.469 6.625 -0.644 1.00 0.00 C ATOM 854 CZ PHE A 58 11.429 7.532 -0.668 1.00 0.00 C ATOM 0 H PHE A 58 8.317 3.052 -2.831 1.00 0.00 H new ATOM 0 HA PHE A 58 11.083 3.737 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.860 3.058 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.570 2.822 -1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.919 5.447 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 58 13.048 4.588 -0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.337 7.814 -1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.468 6.955 -0.402 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.612 8.572 -0.442 1.00 0.00 H new ATOM 864 N PRO A 59 10.931 1.379 -4.627 1.00 0.00 N ATOM 865 CA PRO A 59 11.171 0.010 -5.091 1.00 0.00 C ATOM 866 C PRO A 59 12.471 -0.568 -4.542 1.00 0.00 C ATOM 867 O PRO A 59 12.776 -1.742 -4.753 1.00 0.00 O ATOM 868 CB PRO A 59 11.254 0.160 -6.613 1.00 0.00 C ATOM 869 CG PRO A 59 11.680 1.571 -6.831 1.00 0.00 C ATOM 870 CD PRO A 59 11.069 2.367 -5.710 1.00 0.00 C ATOM 0 HA PRO A 59 10.391 -0.675 -4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.971 -0.541 -7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.292 -0.040 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.767 1.656 -6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.339 1.936 -7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.706 3.200 -5.415 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.105 2.788 -5.995 1.00 0.00 H new ATOM 878 N GLU A 60 13.232 0.263 -3.837 1.00 0.00 N ATOM 879 CA GLU A 60 14.499 -0.168 -3.257 1.00 0.00 C ATOM 880 C GLU A 60 14.329 -0.531 -1.785 1.00 0.00 C ATOM 881 O GLU A 60 15.083 -1.338 -1.242 1.00 0.00 O ATOM 882 CB GLU A 60 15.553 0.932 -3.404 1.00 0.00 C ATOM 883 CG GLU A 60 16.832 0.656 -2.633 1.00 0.00 C ATOM 884 CD GLU A 60 17.758 -0.298 -3.364 1.00 0.00 C ATOM 885 OE1 GLU A 60 18.171 0.026 -4.496 1.00 0.00 O ATOM 886 OE2 GLU A 60 18.068 -1.370 -2.802 1.00 0.00 O ATOM 0 H GLU A 60 12.994 1.238 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 60 14.832 -1.055 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.794 1.053 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.130 1.877 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.353 1.596 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.581 0.238 -1.658 1.00 0.00 H new ATOM 893 N LYS A 61 13.332 0.071 -1.145 1.00 0.00 N ATOM 894 CA LYS A 61 13.060 -0.188 0.264 1.00 0.00 C ATOM 895 C LYS A 61 11.866 -1.123 0.425 1.00 0.00 C ATOM 896 O LYS A 61 11.768 -1.858 1.408 1.00 0.00 O ATOM 897 CB LYS A 61 12.796 1.125 1.004 1.00 0.00 C ATOM 898 CG LYS A 61 13.957 2.104 0.938 1.00 0.00 C ATOM 899 CD LYS A 61 15.205 1.533 1.588 1.00 0.00 C ATOM 900 CE LYS A 61 16.379 2.495 1.483 1.00 0.00 C ATOM 901 NZ LYS A 61 17.684 1.798 1.645 1.00 0.00 N ATOM 0 H LYS A 61 12.699 0.742 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 61 13.938 -0.670 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.909 1.598 0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.575 0.906 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.168 2.350 -0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.679 3.033 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.003 1.317 2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.464 0.588 1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.353 2.996 0.515 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.284 3.269 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.458 2.488 1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.720 1.341 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.787 1.077 0.903 1.00 0.00 H new ATOM 915 N GLY A 62 10.960 -1.091 -0.547 1.00 0.00 N ATOM 916 CA GLY A 62 9.785 -1.942 -0.495 1.00 0.00 C ATOM 917 C GLY A 62 8.605 -1.259 0.169 1.00 0.00 C ATOM 918 O GLY A 62 7.851 -1.890 0.911 1.00 0.00 O ATOM 0 H GLY A 62 11.018 -0.491 -1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.508 -2.237 -1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.025 -2.856 0.049 1.00 0.00 H new ATOM 922 N TYR A 63 8.444 0.032 -0.097 1.00 0.00 N ATOM 923 CA TYR A 63 7.350 0.802 0.483 1.00 0.00 C ATOM 924 C TYR A 63 7.036 2.028 -0.368 1.00 0.00 C ATOM 925 O TYR A 63 7.797 2.386 -1.266 1.00 0.00 O ATOM 926 CB TYR A 63 7.702 1.233 1.908 1.00 0.00 C ATOM 927 CG TYR A 63 8.627 2.427 1.969 1.00 0.00 C ATOM 928 CD1 TYR A 63 8.142 3.716 1.792 1.00 0.00 C ATOM 929 CD2 TYR A 63 9.987 2.265 2.204 1.00 0.00 C ATOM 930 CE1 TYR A 63 8.984 4.810 1.846 1.00 0.00 C ATOM 931 CE2 TYR A 63 10.836 3.353 2.260 1.00 0.00 C ATOM 932 CZ TYR A 63 10.331 4.623 2.081 1.00 0.00 C ATOM 933 OH TYR A 63 11.173 5.710 2.136 1.00 0.00 O ATOM 0 H TYR A 63 9.057 0.568 -0.711 1.00 0.00 H new ATOM 0 HA TYR A 63 6.466 0.165 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.783 1.468 2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.169 0.396 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.088 3.866 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.387 1.272 2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.590 5.806 1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.891 3.209 2.443 1.00 0.00 H new ATOM 0 HH TYR A 63 11.510 5.909 1.237 1.00 0.00 H new ATOM 943 N SER A 64 5.908 2.668 -0.077 1.00 0.00 N ATOM 944 CA SER A 64 5.489 3.853 -0.816 1.00 0.00 C ATOM 945 C SER A 64 4.869 4.887 0.119 1.00 0.00 C ATOM 946 O SER A 64 4.603 4.603 1.287 1.00 0.00 O ATOM 947 CB SER A 64 4.487 3.472 -1.908 1.00 0.00 C ATOM 948 OG SER A 64 3.812 4.615 -2.403 1.00 0.00 O ATOM 0 H SER A 64 5.268 2.386 0.665 1.00 0.00 H new ATOM 0 HA SER A 64 6.373 4.291 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.007 2.971 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.762 2.762 -1.509 1.00 0.00 H new ATOM 0 HG SER A 64 2.875 4.592 -2.116 1.00 0.00 H new ATOM 954 N PHE A 65 4.643 6.088 -0.403 1.00 0.00 N ATOM 955 CA PHE A 65 4.057 7.166 0.385 1.00 0.00 C ATOM 956 C PHE A 65 2.909 7.828 -0.371 1.00 0.00 C ATOM 957 O PHE A 65 3.061 8.232 -1.524 1.00 0.00 O ATOM 958 CB PHE A 65 5.120 8.208 0.735 1.00 0.00 C ATOM 959 CG PHE A 65 5.840 7.920 2.022 1.00 0.00 C ATOM 960 CD1 PHE A 65 5.134 7.752 3.202 1.00 0.00 C ATOM 961 CD2 PHE A 65 7.222 7.821 2.051 1.00 0.00 C ATOM 962 CE1 PHE A 65 5.794 7.487 4.389 1.00 0.00 C ATOM 963 CE2 PHE A 65 7.886 7.556 3.234 1.00 0.00 C ATOM 964 CZ PHE A 65 7.171 7.390 4.404 1.00 0.00 C ATOM 0 H PHE A 65 4.857 6.339 -1.368 1.00 0.00 H new ATOM 0 HA PHE A 65 3.664 6.737 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.847 8.260 -0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.648 9.188 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.057 7.829 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.786 7.952 1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.233 7.356 5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.963 7.479 3.243 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.689 7.185 5.329 1.00 0.00 H new ATOM 974 N VAL A 66 1.758 7.936 0.288 1.00 0.00 N ATOM 975 CA VAL A 66 0.584 8.550 -0.320 1.00 0.00 C ATOM 976 C VAL A 66 -0.101 9.506 0.649 1.00 0.00 C ATOM 977 O VAL A 66 -0.632 9.088 1.677 1.00 0.00 O ATOM 978 CB VAL A 66 -0.431 7.487 -0.779 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.633 8.145 -1.439 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.228 6.492 -1.723 1.00 0.00 C ATOM 0 H VAL A 66 1.615 7.606 1.242 1.00 0.00 H new ATOM 0 HA VAL A 66 0.933 9.107 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.781 6.943 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.339 7.378 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.119 8.813 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.304 8.717 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.504 5.748 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.609 7.018 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.052 5.996 -1.211 1.00 0.00 H new ATOM 990 N ARG A 67 -0.085 10.792 0.314 1.00 0.00 N ATOM 991 CA ARG A 67 -0.704 11.809 1.156 1.00 0.00 C ATOM 992 C ARG A 67 -2.083 12.189 0.625 1.00 0.00 C ATOM 993 O ARG A 67 -2.244 12.484 -0.560 1.00 0.00 O ATOM 994 CB ARG A 67 0.186 13.051 1.231 1.00 0.00 C ATOM 995 CG ARG A 67 1.296 12.944 2.264 1.00 0.00 C ATOM 996 CD ARG A 67 2.480 12.154 1.731 1.00 0.00 C ATOM 997 NE ARG A 67 3.753 12.692 2.200 1.00 0.00 N ATOM 998 CZ ARG A 67 4.372 13.719 1.629 1.00 0.00 C ATOM 999 NH1 ARG A 67 3.837 14.316 0.572 1.00 0.00 N ATOM 1000 NH2 ARG A 67 5.529 14.152 2.113 1.00 0.00 N ATOM 0 H ARG A 67 0.350 11.154 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.821 11.394 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.629 13.230 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.433 13.918 1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.624 13.943 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.912 12.463 3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.390 11.113 2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.462 12.165 0.641 1.00 0.00 H new ATOM 0 HE ARG A 67 4.191 12.255 3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.948 13.987 0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.315 15.105 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.945 13.696 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.003 14.941 1.673 1.00 0.00 H new ATOM 1014 N PHE A 68 -3.075 12.179 1.509 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.441 12.521 1.128 1.00 0.00 C ATOM 1016 C PHE A 68 -4.801 13.927 1.600 1.00 0.00 C ATOM 1017 O PHE A 68 -4.288 14.404 2.613 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.425 11.507 1.714 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.349 10.154 1.065 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.291 9.301 1.336 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.334 9.737 0.186 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.218 8.056 0.741 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.266 8.492 -0.412 1.00 0.00 C ATOM 1024 CZ PHE A 68 -5.207 7.651 -0.134 1.00 0.00 C ATOM 0 H PHE A 68 -2.959 11.938 2.493 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.506 12.494 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.232 11.400 2.781 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.439 11.894 1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.515 9.613 2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.164 10.391 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.388 7.400 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.041 8.178 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.152 6.678 -0.600 1.00 0.00 H new ATOM 1034 N SER A 69 -5.686 14.585 0.858 1.00 0.00 N ATOM 1035 CA SER A 69 -6.113 15.938 1.198 1.00 0.00 C ATOM 1036 C SER A 69 -6.893 15.949 2.508 1.00 0.00 C ATOM 1037 O SER A 69 -6.991 16.978 3.178 1.00 0.00 O ATOM 1038 CB SER A 69 -6.970 16.522 0.074 1.00 0.00 C ATOM 1039 OG SER A 69 -8.320 16.105 0.194 1.00 0.00 O ATOM 0 H SER A 69 -6.121 14.204 0.018 1.00 0.00 H new ATOM 0 HA SER A 69 -5.222 16.553 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.918 17.610 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.573 16.208 -0.891 1.00 0.00 H new ATOM 0 HG SER A 69 -8.848 16.493 -0.535 1.00 0.00 H new ATOM 1045 N THR A 70 -7.450 14.797 2.868 1.00 0.00 N ATOM 1046 CA THR A 70 -8.223 14.672 4.097 1.00 0.00 C ATOM 1047 C THR A 70 -7.762 13.474 4.918 1.00 0.00 C ATOM 1048 O THR A 70 -7.170 12.534 4.386 1.00 0.00 O ATOM 1049 CB THR A 70 -9.728 14.529 3.801 1.00 0.00 C ATOM 1050 OG1 THR A 70 -9.956 13.391 2.961 1.00 0.00 O ATOM 1051 CG2 THR A 70 -10.269 15.780 3.124 1.00 0.00 C ATOM 0 H THR A 70 -7.380 13.936 2.325 1.00 0.00 H new ATOM 0 HA THR A 70 -8.057 15.585 4.669 1.00 0.00 H new ATOM 0 HB THR A 70 -10.250 14.393 4.748 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.915 13.306 2.779 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.333 15.655 2.925 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.121 16.640 3.777 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.741 15.942 2.184 1.00 0.00 H new ATOM 1059 N HIS A 71 -8.037 13.513 6.218 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.650 12.428 7.114 1.00 0.00 C ATOM 1061 C HIS A 71 -8.614 11.252 6.989 1.00 0.00 C ATOM 1062 O HIS A 71 -8.245 10.106 7.245 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.614 12.921 8.561 1.00 0.00 C ATOM 1064 CG HIS A 71 -6.889 11.998 9.490 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -5.523 12.038 9.677 1.00 0.00 N ATOM 1066 CD2 HIS A 71 -7.347 11.006 10.289 1.00 0.00 C ATOM 1067 CE1 HIS A 71 -5.173 11.111 10.549 1.00 0.00 C ATOM 1068 NE2 HIS A 71 -6.262 10.470 10.937 1.00 0.00 N ATOM 0 H HIS A 71 -8.526 14.283 6.674 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.653 12.091 6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.138 13.901 8.591 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.636 13.053 8.917 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -4.883 12.683 9.214 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.375 10.694 10.397 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.167 10.910 10.888 1.00 0.00 H new ATOM 1076 N GLU A 72 -9.849 11.544 6.594 1.00 0.00 N ATOM 1077 CA GLU A 72 -10.865 10.509 6.436 1.00 0.00 C ATOM 1078 C GLU A 72 -10.536 9.598 5.257 1.00 0.00 C ATOM 1079 O GLU A 72 -10.337 8.395 5.424 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.243 11.142 6.238 1.00 0.00 C ATOM 1081 CG GLU A 72 -12.885 11.622 7.529 1.00 0.00 C ATOM 1082 CD GLU A 72 -13.985 12.639 7.291 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -13.754 13.594 6.521 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -15.077 12.478 7.875 1.00 0.00 O ATOM 0 H GLU A 72 -10.170 12.488 6.378 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.878 9.907 7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.151 11.985 5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.902 10.415 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.296 10.767 8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.120 12.063 8.169 1.00 0.00 H new ATOM 1091 N SER A 73 -10.483 10.181 4.065 1.00 0.00 N ATOM 1092 CA SER A 73 -10.183 9.424 2.855 1.00 0.00 C ATOM 1093 C SER A 73 -9.017 8.468 3.088 1.00 0.00 C ATOM 1094 O SER A 73 -9.031 7.328 2.625 1.00 0.00 O ATOM 1095 CB SER A 73 -9.856 10.372 1.700 1.00 0.00 C ATOM 1096 OG SER A 73 -8.871 11.317 2.079 1.00 0.00 O ATOM 0 H SER A 73 -10.644 11.176 3.910 1.00 0.00 H new ATOM 0 HA SER A 73 -11.065 8.839 2.595 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.503 9.798 0.843 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.761 10.892 1.385 1.00 0.00 H new ATOM 0 HG SER A 73 -9.275 12.208 2.130 1.00 0.00 H new ATOM 1102 N ALA A 74 -8.007 8.942 3.811 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.833 8.131 4.108 1.00 0.00 C ATOM 1104 C ALA A 74 -7.179 6.993 5.063 1.00 0.00 C ATOM 1105 O ALA A 74 -6.788 5.847 4.846 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.727 8.997 4.695 1.00 0.00 C ATOM 0 H ALA A 74 -7.979 9.884 4.202 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.480 7.693 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.857 8.378 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.452 9.771 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.079 9.463 5.615 1.00 0.00 H new ATOM 1112 N ALA A 75 -7.915 7.318 6.122 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.315 6.323 7.109 1.00 0.00 C ATOM 1114 C ALA A 75 -9.065 5.169 6.452 1.00 0.00 C ATOM 1115 O ALA A 75 -8.907 4.011 6.842 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.172 6.966 8.189 1.00 0.00 C ATOM 0 H ALA A 75 -8.246 8.263 6.318 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.413 5.920 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.464 6.211 8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.602 7.751 8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.065 7.397 7.736 1.00 0.00 H new ATOM 1122 N HIS A 76 -9.880 5.491 5.454 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.655 4.480 4.743 1.00 0.00 C ATOM 1124 C HIS A 76 -9.738 3.543 3.961 1.00 0.00 C ATOM 1125 O HIS A 76 -9.888 2.323 4.018 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.652 5.145 3.793 1.00 0.00 C ATOM 1127 CG HIS A 76 -12.954 5.498 4.444 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -13.707 4.592 5.161 1.00 0.00 N ATOM 1129 CD2 HIS A 76 -13.636 6.667 4.485 1.00 0.00 C ATOM 1130 CE1 HIS A 76 -14.796 5.188 5.612 1.00 0.00 C ATOM 1131 NE2 HIS A 76 -14.777 6.448 5.217 1.00 0.00 N ATOM 0 H HIS A 76 -10.021 6.444 5.119 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.203 3.893 5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.203 6.050 3.383 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -11.844 4.476 2.954 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.338 7.599 4.027 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.571 4.723 6.204 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.493 7.145 5.422 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.791 4.123 3.232 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.850 3.340 2.440 1.00 0.00 C ATOM 1141 C ALA A 77 -6.970 2.473 3.334 1.00 0.00 C ATOM 1142 O ALA A 77 -6.571 1.373 2.949 1.00 0.00 O ATOM 1143 CB ALA A 77 -6.993 4.257 1.580 1.00 0.00 C ATOM 0 H ALA A 77 -8.655 5.132 3.173 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.422 2.680 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.295 3.659 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.633 4.829 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.436 4.941 2.221 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.668 2.976 4.526 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.834 2.247 5.473 1.00 0.00 C ATOM 1151 C ILE A 78 -6.581 1.052 6.058 1.00 0.00 C ATOM 1152 O ILE A 78 -6.198 -0.098 5.845 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.363 3.155 6.625 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.350 4.181 6.111 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.758 2.321 7.745 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -3.950 5.207 7.149 1.00 0.00 C ATOM 0 H ILE A 78 -6.988 3.885 4.859 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.964 1.894 4.919 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.226 3.690 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.458 3.658 5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.772 4.695 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.430 2.977 8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.506 1.625 8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.904 1.762 7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.230 5.902 6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.833 5.756 7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.498 4.703 8.004 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.652 1.334 6.794 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.456 0.283 7.406 1.00 0.00 C ATOM 1170 C VAL A 79 -8.736 -0.843 6.417 1.00 0.00 C ATOM 1171 O VAL A 79 -8.819 -2.011 6.796 1.00 0.00 O ATOM 1172 CB VAL A 79 -9.795 0.834 7.930 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -9.565 1.759 9.115 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.546 1.553 6.820 1.00 0.00 C ATOM 0 H VAL A 79 -7.982 2.281 6.981 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.879 -0.108 8.244 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.406 -0.004 8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.523 2.139 9.472 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.072 1.208 9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.935 2.594 8.808 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.490 1.936 7.208 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.943 2.382 6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.745 0.857 6.005 1.00 0.00 H new ATOM 1184 N SER A 80 -8.877 -0.484 5.144 1.00 0.00 N ATOM 1185 CA SER A 80 -9.151 -1.464 4.099 1.00 0.00 C ATOM 1186 C SER A 80 -7.855 -2.080 3.580 1.00 0.00 C ATOM 1187 O SER A 80 -7.565 -3.249 3.831 1.00 0.00 O ATOM 1188 CB SER A 80 -9.917 -0.812 2.947 1.00 0.00 C ATOM 1189 OG SER A 80 -10.510 -1.790 2.110 1.00 0.00 O ATOM 0 H SER A 80 -8.806 0.478 4.812 1.00 0.00 H new ATOM 0 HA SER A 80 -9.763 -2.257 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.689 -0.154 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.240 -0.190 2.362 1.00 0.00 H new ATOM 0 HG SER A 80 -10.995 -1.347 1.382 1.00 0.00 H new ATOM 1195 N VAL A 81 -7.077 -1.282 2.853 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.812 -1.746 2.298 1.00 0.00 C ATOM 1197 C VAL A 81 -4.958 -2.419 3.367 1.00 0.00 C ATOM 1198 O VAL A 81 -4.023 -3.155 3.056 1.00 0.00 O ATOM 1199 CB VAL A 81 -5.014 -0.586 1.674 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.682 -1.085 1.134 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.824 0.088 0.576 1.00 0.00 C ATOM 0 H VAL A 81 -7.302 -0.311 2.635 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.054 -2.470 1.520 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.812 0.152 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.132 -0.252 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.099 -1.518 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.860 -1.843 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.245 0.905 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.058 -0.639 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.750 0.481 0.996 1.00 0.00 H new ATOM 1211 N ASN A 82 -5.286 -2.162 4.628 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.548 -2.742 5.745 1.00 0.00 C ATOM 1213 C ASN A 82 -4.820 -4.239 5.856 1.00 0.00 C ATOM 1214 O ASN A 82 -5.710 -4.666 6.591 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.929 -2.045 7.052 1.00 0.00 C ATOM 1216 CG ASN A 82 -4.467 -2.816 8.274 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -5.211 -3.622 8.831 1.00 0.00 O ATOM 1218 ND2 ASN A 82 -3.231 -2.571 8.696 1.00 0.00 N ATOM 0 H ASN A 82 -6.059 -1.555 4.903 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.484 -2.596 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.492 -1.047 7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.011 -1.920 7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.865 -3.060 9.513 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.649 -1.894 8.203 1.00 0.00 H new ATOM 1225 N GLY A 83 -4.047 -5.032 5.120 1.00 0.00 N ATOM 1226 CA GLY A 83 -4.220 -6.473 5.151 1.00 0.00 C ATOM 1227 C GLY A 83 -4.529 -7.049 3.784 1.00 0.00 C ATOM 1228 O GLY A 83 -4.808 -8.241 3.652 1.00 0.00 O ATOM 0 H GLY A 83 -3.304 -4.703 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.314 -6.936 5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.027 -6.724 5.839 1.00 0.00 H new ATOM 1232 N THR A 84 -4.482 -6.201 2.762 1.00 0.00 N ATOM 1233 CA THR A 84 -4.763 -6.631 1.398 1.00 0.00 C ATOM 1234 C THR A 84 -3.521 -7.221 0.741 1.00 0.00 C ATOM 1235 O THR A 84 -2.448 -7.267 1.344 1.00 0.00 O ATOM 1236 CB THR A 84 -5.281 -5.465 0.536 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.356 -4.373 0.583 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.647 -5.000 1.018 1.00 0.00 C ATOM 0 H THR A 84 -4.252 -5.211 2.853 1.00 0.00 H new ATOM 0 HA THR A 84 -5.536 -7.397 1.461 1.00 0.00 H new ATOM 0 HB THR A 84 -5.376 -5.816 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.421 -3.927 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.992 -4.176 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.356 -5.825 0.954 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.573 -4.665 2.053 1.00 0.00 H new ATOM 1246 N THR A 85 -3.670 -7.671 -0.501 1.00 0.00 N ATOM 1247 CA THR A 85 -2.560 -8.259 -1.240 1.00 0.00 C ATOM 1248 C THR A 85 -2.525 -7.750 -2.677 1.00 0.00 C ATOM 1249 O THR A 85 -3.445 -8.000 -3.456 1.00 0.00 O ATOM 1250 CB THR A 85 -2.645 -9.796 -1.253 1.00 0.00 C ATOM 1251 OG1 THR A 85 -2.656 -10.299 0.087 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.474 -10.397 -2.015 1.00 0.00 C ATOM 0 H THR A 85 -4.550 -7.639 -1.016 1.00 0.00 H new ATOM 0 HA THR A 85 -1.645 -7.958 -0.729 1.00 0.00 H new ATOM 0 HB THR A 85 -3.570 -10.081 -1.755 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.712 -11.277 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.556 -11.484 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.486 -10.037 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.539 -10.102 -1.538 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.459 -7.036 -3.021 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.304 -6.494 -4.366 1.00 0.00 C ATOM 1262 C ILE A 86 -0.219 -7.237 -5.136 1.00 0.00 C ATOM 1263 O ILE A 86 0.956 -7.192 -4.771 1.00 0.00 O ATOM 1264 CB ILE A 86 -0.959 -4.994 -4.331 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -2.141 -4.189 -3.787 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -0.575 -4.507 -5.721 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -1.743 -2.849 -3.207 1.00 0.00 C ATOM 0 H ILE A 86 -0.690 -6.819 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.260 -6.627 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.107 -4.847 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.861 -4.029 -4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.645 -4.774 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.334 -3.445 -5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.293 -5.063 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.409 -4.664 -6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.630 -2.333 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.046 -3.002 -2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.266 -2.246 -3.979 1.00 0.00 H new ATOM 1279 N GLU A 87 -0.620 -7.919 -6.205 1.00 0.00 N ATOM 1280 CA GLU A 87 0.321 -8.670 -7.028 1.00 0.00 C ATOM 1281 C GLU A 87 0.973 -9.791 -6.223 1.00 0.00 C ATOM 1282 O GLU A 87 2.176 -10.025 -6.326 1.00 0.00 O ATOM 1283 CB GLU A 87 1.398 -7.740 -7.591 1.00 0.00 C ATOM 1284 CG GLU A 87 0.837 -6.507 -8.279 1.00 0.00 C ATOM 1285 CD GLU A 87 1.076 -6.515 -9.777 1.00 0.00 C ATOM 1286 OE1 GLU A 87 0.306 -7.185 -10.497 1.00 0.00 O ATOM 1287 OE2 GLU A 87 2.033 -5.853 -10.228 1.00 0.00 O ATOM 0 H GLU A 87 -1.589 -7.967 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.234 -9.113 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.055 -7.426 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.011 -8.295 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.234 -6.444 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.292 -5.616 -7.847 1.00 0.00 H new ATOM 1294 N GLY A 88 0.168 -10.482 -5.421 1.00 0.00 N ATOM 1295 CA GLY A 88 0.683 -11.569 -4.610 1.00 0.00 C ATOM 1296 C GLY A 88 1.584 -11.082 -3.493 1.00 0.00 C ATOM 1297 O GLY A 88 2.275 -11.875 -2.852 1.00 0.00 O ATOM 0 H GLY A 88 -0.832 -10.308 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.151 -12.126 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.237 -12.261 -5.244 1.00 0.00 H new ATOM 1301 N HIS A 89 1.580 -9.774 -3.258 1.00 0.00 N ATOM 1302 CA HIS A 89 2.404 -9.182 -2.211 1.00 0.00 C ATOM 1303 C HIS A 89 1.537 -8.491 -1.162 1.00 0.00 C ATOM 1304 O HIS A 89 0.781 -7.571 -1.474 1.00 0.00 O ATOM 1305 CB HIS A 89 3.390 -8.180 -2.813 1.00 0.00 C ATOM 1306 CG HIS A 89 4.352 -8.796 -3.783 1.00 0.00 C ATOM 1307 ND1 HIS A 89 4.380 -8.776 -5.135 1.00 0.00 N flip ATOM 1308 CD2 HIS A 89 5.444 -9.541 -3.389 1.00 0.00 C flip ATOM 1309 CE1 HIS A 89 5.478 -9.500 -5.531 1.00 0.00 C flip ATOM 1310 NE2 HIS A 89 6.103 -9.950 -4.458 1.00 0.00 N flip ATOM 0 H HIS A 89 1.015 -9.104 -3.779 1.00 0.00 H new ATOM 0 HA HIS A 89 2.962 -9.983 -1.726 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.832 -7.392 -3.318 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.952 -7.707 -2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.717 -9.756 -2.367 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.781 -9.673 -6.553 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.951 -10.517 -4.455 1.00 0.00 H new ATOM 1318 N VAL A 90 1.651 -8.943 0.084 1.00 0.00 N ATOM 1319 CA VAL A 90 0.879 -8.369 1.178 1.00 0.00 C ATOM 1320 C VAL A 90 1.315 -6.938 1.468 1.00 0.00 C ATOM 1321 O VAL A 90 2.442 -6.696 1.901 1.00 0.00 O ATOM 1322 CB VAL A 90 1.019 -9.206 2.464 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.456 -9.186 2.960 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.068 -8.698 3.537 1.00 0.00 C ATOM 0 H VAL A 90 2.271 -9.705 0.359 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.164 -8.371 0.863 1.00 0.00 H new ATOM 0 HB VAL A 90 0.753 -10.238 2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.536 -9.782 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.111 -9.602 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.753 -8.159 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.181 -9.301 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.299 -7.658 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.958 -8.771 3.178 1.00 0.00 H new ATOM 1334 N VAL A 91 0.414 -5.990 1.226 1.00 0.00 N ATOM 1335 CA VAL A 91 0.706 -4.581 1.462 1.00 0.00 C ATOM 1336 C VAL A 91 0.451 -4.203 2.916 1.00 0.00 C ATOM 1337 O VAL A 91 -0.226 -4.926 3.648 1.00 0.00 O ATOM 1338 CB VAL A 91 -0.141 -3.672 0.551 1.00 0.00 C ATOM 1339 CG1 VAL A 91 0.177 -3.938 -0.913 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.624 -3.874 0.828 1.00 0.00 C ATOM 0 H VAL A 91 -0.523 -6.172 0.867 1.00 0.00 H new ATOM 0 HA VAL A 91 1.761 -4.434 1.231 1.00 0.00 H new ATOM 0 HB VAL A 91 0.108 -2.634 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.431 -3.287 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.233 -3.739 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.043 -4.979 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.208 -3.224 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.891 -4.914 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.836 -3.629 1.869 1.00 0.00 H new ATOM 1350 N LYS A 92 0.998 -3.065 3.331 1.00 0.00 N ATOM 1351 CA LYS A 92 0.829 -2.588 4.698 1.00 0.00 C ATOM 1352 C LYS A 92 0.513 -1.096 4.719 1.00 0.00 C ATOM 1353 O LYS A 92 1.352 -0.269 4.359 1.00 0.00 O ATOM 1354 CB LYS A 92 2.093 -2.864 5.516 1.00 0.00 C ATOM 1355 CG LYS A 92 2.000 -4.112 6.376 1.00 0.00 C ATOM 1356 CD LYS A 92 3.375 -4.599 6.802 1.00 0.00 C ATOM 1357 CE LYS A 92 3.645 -6.011 6.302 1.00 0.00 C ATOM 1358 NZ LYS A 92 4.457 -6.796 7.272 1.00 0.00 N ATOM 0 H LYS A 92 1.563 -2.456 2.739 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.009 -3.125 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.940 -2.963 4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.296 -2.006 6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.397 -3.902 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.489 -4.900 5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.138 -3.923 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.450 -4.576 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.698 -6.521 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.166 -5.964 5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.619 -7.752 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.371 -6.323 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.949 -6.862 8.177 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.699 -0.759 5.144 1.00 0.00 N ATOM 1373 CA CYS A 93 -1.125 0.635 5.213 1.00 0.00 C ATOM 1374 C CYS A 93 -0.939 1.191 6.620 1.00 0.00 C ATOM 1375 O CYS A 93 -1.506 0.675 7.583 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.590 0.764 4.790 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.832 1.638 3.226 1.00 0.00 S ATOM 0 H CYS A 93 -1.404 -1.431 5.446 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.504 1.213 4.528 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -3.022 -0.233 4.707 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.139 1.285 5.574 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.568 2.690 3.426 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.141 2.248 6.732 1.00 0.00 N ATOM 1384 CA TYR A 94 0.125 2.872 8.022 1.00 0.00 C ATOM 1385 C TYR A 94 0.040 4.392 7.919 1.00 0.00 C ATOM 1386 O TYR A 94 -0.272 4.937 6.861 1.00 0.00 O ATOM 1387 CB TYR A 94 1.504 2.460 8.538 1.00 0.00 C ATOM 1388 CG TYR A 94 1.656 0.968 8.734 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.746 0.252 9.502 1.00 0.00 C ATOM 1390 CD2 TYR A 94 2.710 0.275 8.150 1.00 0.00 C ATOM 1391 CE1 TYR A 94 0.883 -1.111 9.683 1.00 0.00 C ATOM 1392 CE2 TYR A 94 2.853 -1.088 8.326 1.00 0.00 C ATOM 1393 CZ TYR A 94 1.936 -1.776 9.093 1.00 0.00 C ATOM 1394 OH TYR A 94 2.075 -3.133 9.271 1.00 0.00 O ATOM 0 H TYR A 94 0.333 2.690 5.944 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.634 2.530 8.726 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.263 2.805 7.836 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.693 2.964 9.486 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.082 0.769 9.965 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.429 0.811 7.549 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.168 -1.653 10.284 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.678 -1.612 7.866 1.00 0.00 H new ATOM 0 HH TYR A 94 1.189 -3.550 9.313 1.00 0.00 H new ATOM 1404 N TRP A 95 0.323 5.070 9.026 1.00 0.00 N ATOM 1405 CA TRP A 95 0.282 6.528 9.061 1.00 0.00 C ATOM 1406 C TRP A 95 1.677 7.116 8.884 1.00 0.00 C ATOM 1407 O TRP A 95 2.504 7.061 9.793 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.326 7.009 10.380 1.00 0.00 C ATOM 1409 CG TRP A 95 -1.823 6.977 10.391 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.623 6.239 11.217 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -2.702 7.715 9.534 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -3.944 6.473 10.925 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.020 7.376 9.898 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.504 8.631 8.497 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.132 7.919 9.259 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.608 9.170 7.864 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -4.908 8.814 8.247 1.00 0.00 C ATOM 0 H TRP A 95 0.583 4.634 9.911 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.342 6.870 8.235 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.049 6.387 11.193 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.010 8.027 10.576 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.268 5.570 11.987 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.740 6.044 11.397 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.506 8.913 8.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.135 7.644 9.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.466 9.878 7.060 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.750 9.254 7.734 1.00 0.00 H new ATOM 1428 N GLY A 96 1.932 7.681 7.708 1.00 0.00 N ATOM 1429 CA GLY A 96 3.229 8.272 7.435 1.00 0.00 C ATOM 1430 C GLY A 96 3.844 8.914 8.662 1.00 0.00 C ATOM 1431 O GLY A 96 4.577 8.267 9.410 1.00 0.00 O ATOM 0 H GLY A 96 1.264 7.740 6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.902 7.503 7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.125 9.021 6.650 1.00 0.00 H new ATOM 1435 N LYS A 97 3.547 10.192 8.870 1.00 0.00 N ATOM 1436 CA LYS A 97 4.076 10.924 10.016 1.00 0.00 C ATOM 1437 C LYS A 97 3.529 10.358 11.322 1.00 0.00 C ATOM 1438 O LYS A 97 2.566 9.592 11.323 1.00 0.00 O ATOM 1439 CB LYS A 97 3.724 12.410 9.905 1.00 0.00 C ATOM 1440 CG LYS A 97 4.795 13.331 10.462 1.00 0.00 C ATOM 1441 CD LYS A 97 4.449 14.793 10.229 1.00 0.00 C ATOM 1442 CE LYS A 97 5.458 15.717 10.893 1.00 0.00 C ATOM 1443 NZ LYS A 97 4.891 17.071 11.141 1.00 0.00 N ATOM 0 H LYS A 97 2.943 10.743 8.260 1.00 0.00 H new ATOM 0 HA LYS A 97 5.160 10.813 10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.553 12.657 8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.788 12.594 10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.913 13.150 11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.752 13.103 9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.419 14.995 9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.453 14.999 10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.783 15.281 11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.342 15.804 10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.610 17.671 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.604 17.498 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.063 16.992 11.765 1.00 0.00 H new ATOM 1457 N GLU A 98 4.150 10.741 12.434 1.00 0.00 N ATOM 1458 CA GLU A 98 3.724 10.271 13.747 1.00 0.00 C ATOM 1459 C GLU A 98 3.998 11.324 14.817 1.00 0.00 C ATOM 1460 O GLU A 98 5.149 11.586 15.165 1.00 0.00 O ATOM 1461 CB GLU A 98 4.440 8.968 14.103 1.00 0.00 C ATOM 1462 CG GLU A 98 3.760 7.727 13.547 1.00 0.00 C ATOM 1463 CD GLU A 98 4.001 6.498 14.401 1.00 0.00 C ATOM 1464 OE1 GLU A 98 5.007 6.475 15.141 1.00 0.00 O ATOM 1465 OE2 GLU A 98 3.182 5.557 14.329 1.00 0.00 O ATOM 0 H GLU A 98 4.949 11.375 12.451 1.00 0.00 H new ATOM 0 HA GLU A 98 2.650 10.088 13.709 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.462 9.011 13.727 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.502 8.882 15.188 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.688 7.908 13.471 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.124 7.540 12.537 1.00 0.00 H new ATOM 1472 N SER A 99 2.932 11.926 15.334 1.00 0.00 N ATOM 1473 CA SER A 99 3.056 12.953 16.361 1.00 0.00 C ATOM 1474 C SER A 99 1.884 12.892 17.336 1.00 0.00 C ATOM 1475 O SER A 99 0.750 12.589 16.965 1.00 0.00 O ATOM 1476 CB SER A 99 3.128 14.340 15.719 1.00 0.00 C ATOM 1477 OG SER A 99 4.331 15.003 16.068 1.00 0.00 O ATOM 0 H SER A 99 1.972 11.720 15.058 1.00 0.00 H new ATOM 0 HA SER A 99 3.976 12.768 16.915 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.062 14.246 14.635 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.274 14.937 16.039 1.00 0.00 H new ATOM 0 HG SER A 99 4.353 15.886 15.644 1.00 0.00 H new ATOM 1483 N PRO A 100 2.164 13.186 18.614 1.00 0.00 N ATOM 1484 CA PRO A 100 1.146 13.173 19.671 1.00 0.00 C ATOM 1485 C PRO A 100 0.144 14.313 19.524 1.00 0.00 C ATOM 1486 O PRO A 100 -1.066 14.102 19.610 1.00 0.00 O ATOM 1487 CB PRO A 100 1.965 13.341 20.953 1.00 0.00 C ATOM 1488 CG PRO A 100 3.206 14.043 20.521 1.00 0.00 C ATOM 1489 CD PRO A 100 3.493 13.556 19.128 1.00 0.00 C ATOM 0 HA PRO A 100 0.546 12.263 19.649 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.420 13.922 21.697 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.193 12.376 21.406 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.068 15.124 20.536 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.035 13.818 21.192 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.957 14.332 18.519 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.173 12.704 19.132 1.00 0.00 H new ATOM 1497 N ASP A 101 0.655 15.518 19.303 1.00 0.00 N ATOM 1498 CA ASP A 101 -0.197 16.692 19.143 1.00 0.00 C ATOM 1499 C ASP A 101 0.625 17.907 18.724 1.00 0.00 C ATOM 1500 O ASP A 101 0.317 18.564 17.730 1.00 0.00 O ATOM 1501 CB ASP A 101 -0.941 16.990 20.446 1.00 0.00 C ATOM 1502 CG ASP A 101 -2.418 17.249 20.222 1.00 0.00 C ATOM 1503 OD1 ASP A 101 -2.761 17.892 19.207 1.00 0.00 O ATOM 1504 OD2 ASP A 101 -3.231 16.810 21.061 1.00 0.00 O ATOM 0 H ASP A 101 1.654 15.709 19.230 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.923 16.479 18.359 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.822 16.149 21.130 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.492 17.859 20.927 1.00 0.00 H new ATOM 1509 N MET A 102 1.672 18.199 19.489 1.00 0.00 N ATOM 1510 CA MET A 102 2.539 19.335 19.196 1.00 0.00 C ATOM 1511 C MET A 102 1.746 20.639 19.198 1.00 0.00 C ATOM 1512 O MET A 102 1.300 21.108 18.151 1.00 0.00 O ATOM 1513 CB MET A 102 3.226 19.144 17.843 1.00 0.00 C ATOM 1514 CG MET A 102 4.727 18.928 17.949 1.00 0.00 C ATOM 1515 SD MET A 102 5.151 17.435 18.868 1.00 0.00 S ATOM 1516 CE MET A 102 6.154 18.122 20.184 1.00 0.00 C ATOM 0 H MET A 102 1.941 17.665 20.316 1.00 0.00 H new ATOM 0 HA MET A 102 3.299 19.391 19.976 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.779 18.289 17.335 1.00 0.00 H new ATOM 0 HB3 MET A 102 3.036 20.019 17.221 1.00 0.00 H new ATOM 0 HG2 MET A 102 5.153 18.867 16.948 1.00 0.00 H new ATOM 0 HG3 MET A 102 5.181 19.791 18.436 1.00 0.00 H new ATOM 0 HE1 MET A 102 6.493 17.320 20.839 1.00 0.00 H new ATOM 0 HE2 MET A 102 7.018 18.630 19.756 1.00 0.00 H new ATOM 0 HE3 MET A 102 5.562 18.834 20.759 1.00 0.00 H new ATOM 1526 N THR A 103 1.572 21.219 20.382 1.00 0.00 N ATOM 1527 CA THR A 103 0.832 22.466 20.519 1.00 0.00 C ATOM 1528 C THR A 103 1.732 23.670 20.268 1.00 0.00 C ATOM 1529 O THR A 103 2.888 23.693 20.692 1.00 0.00 O ATOM 1530 CB THR A 103 0.202 22.594 21.919 1.00 0.00 C ATOM 1531 OG1 THR A 103 -0.460 23.858 22.045 1.00 0.00 O ATOM 1532 CG2 THR A 103 1.261 22.461 23.003 1.00 0.00 C ATOM 0 H THR A 103 1.934 20.844 21.259 1.00 0.00 H new ATOM 0 HA THR A 103 0.039 22.447 19.772 1.00 0.00 H new ATOM 0 HB THR A 103 -0.524 21.790 22.041 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.859 23.931 22.937 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.793 22.555 23.983 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.743 21.487 22.923 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.007 23.246 22.881 1.00 0.00 H new ATOM 1540 N SER A 104 1.196 24.671 19.578 1.00 0.00 N ATOM 1541 CA SER A 104 1.953 25.879 19.267 1.00 0.00 C ATOM 1542 C SER A 104 1.016 27.044 18.966 1.00 0.00 C ATOM 1543 O SER A 104 -0.191 26.863 18.813 1.00 0.00 O ATOM 1544 CB SER A 104 2.880 25.632 18.075 1.00 0.00 C ATOM 1545 OG SER A 104 4.075 26.384 18.196 1.00 0.00 O ATOM 0 H SER A 104 0.240 24.670 19.223 1.00 0.00 H new ATOM 0 HA SER A 104 2.555 26.136 20.138 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.119 24.571 18.010 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.369 25.901 17.151 1.00 0.00 H new ATOM 0 HG SER A 104 4.652 26.208 17.424 1.00 0.00 H new ATOM 1551 N GLY A 105 1.583 28.244 18.881 1.00 0.00 N ATOM 1552 CA GLY A 105 0.786 29.423 18.597 1.00 0.00 C ATOM 1553 C GLY A 105 1.593 30.703 18.681 1.00 0.00 C ATOM 1554 O GLY A 105 1.394 31.531 19.572 1.00 0.00 O ATOM 0 H GLY A 105 2.580 28.420 19.004 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.354 29.334 17.600 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.045 29.474 19.301 1.00 0.00 H new ATOM 1558 N PRO A 106 2.531 30.879 17.738 1.00 0.00 N ATOM 1559 CA PRO A 106 3.390 32.065 17.689 1.00 0.00 C ATOM 1560 C PRO A 106 2.622 33.324 17.299 1.00 0.00 C ATOM 1561 O PRO A 106 1.425 33.267 17.012 1.00 0.00 O ATOM 1562 CB PRO A 106 4.421 31.712 16.613 1.00 0.00 C ATOM 1563 CG PRO A 106 3.733 30.717 15.742 1.00 0.00 C ATOM 1564 CD PRO A 106 2.823 29.934 16.648 1.00 0.00 C ATOM 0 HA PRO A 106 3.828 32.291 18.661 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.720 32.594 16.047 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.326 31.294 17.054 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.167 31.213 14.954 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.454 30.062 15.252 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.915 29.622 16.133 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.306 29.030 17.019 1.00 0.00 H new ATOM 1572 N SER A 107 3.316 34.456 17.288 1.00 0.00 N ATOM 1573 CA SER A 107 2.698 35.729 16.935 1.00 0.00 C ATOM 1574 C SER A 107 3.709 36.661 16.276 1.00 0.00 C ATOM 1575 O SER A 107 4.894 36.646 16.612 1.00 0.00 O ATOM 1576 CB SER A 107 2.107 36.396 18.179 1.00 0.00 C ATOM 1577 OG SER A 107 3.125 36.965 18.984 1.00 0.00 O ATOM 0 H SER A 107 4.307 34.519 17.520 1.00 0.00 H new ATOM 0 HA SER A 107 1.897 35.530 16.223 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.400 37.170 17.880 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.548 35.661 18.759 1.00 0.00 H new ATOM 0 HG SER A 107 2.722 37.386 19.772 1.00 0.00 H new ATOM 1583 N SER A 108 3.234 37.470 15.335 1.00 0.00 N ATOM 1584 CA SER A 108 4.098 38.408 14.626 1.00 0.00 C ATOM 1585 C SER A 108 3.270 39.404 13.819 1.00 0.00 C ATOM 1586 O SER A 108 2.475 39.019 12.965 1.00 0.00 O ATOM 1587 CB SER A 108 5.053 37.652 13.699 1.00 0.00 C ATOM 1588 OG SER A 108 6.206 37.218 14.399 1.00 0.00 O ATOM 0 H SER A 108 2.256 37.495 15.045 1.00 0.00 H new ATOM 0 HA SER A 108 4.680 38.959 15.365 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.541 36.792 13.267 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.348 38.297 12.871 1.00 0.00 H new ATOM 0 HG SER A 108 5.990 37.108 15.348 1.00 0.00 H new ATOM 1594 N GLY A 109 3.466 40.689 14.099 1.00 0.00 N ATOM 1595 CA GLY A 109 2.731 41.723 13.392 1.00 0.00 C ATOM 1596 C GLY A 109 3.646 42.739 12.739 1.00 0.00 C ATOM 1597 O GLY A 109 4.601 42.376 12.053 1.00 0.00 O ATOM 0 H GLY A 109 4.120 41.033 14.802 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.103 41.262 12.630 1.00 0.00 H new ATOM 0 HA3 GLY A 109 2.065 42.233 14.089 1.00 0.00 H new TER 1601 GLY A 109