USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 830 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 12 SER OG : rot 20:sc= 1.26 USER MOD Set 1.2: A 22 THR OG1 : rot -81:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -178:sc=-0.000126 (180deg=-0.00995) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0348 (180deg=-0.299) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 99:sc= 1.21 USER MOD Single : A 21 MET CE :methyl -170:sc= -0.227 (180deg=-0.449) USER MOD Single : A 30 ASN : amide:sc= -1.6! K(o=-1.6!,f=-0.31) USER MOD Single : A 31 THR OG1 : rot 133:sc= -2.27! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0.758) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.688 K(o=-0.69,f=0) USER MOD Single : A 69 SER OG : rot -38:sc= 1.31 USER MOD Single : A 72 SER OG : rot 93:sc= 1.22 USER MOD Single : A 77 HIS : no HE2:sc= -0.239 K(o=-0.24,f=-4.6!) USER MOD Single : A 79 LYS NZ :NH3+ -130:sc= -0.969 (180deg=-3.12!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.24) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0034 USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.118) USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00279) USER MOD Single : A 90 TYR OH : rot 180:sc= 0.277 USER MOD Single : A 92 GLN : amide:sc= -0.0876 K(o=-0.088,f=-0.89) USER MOD Single : A 96 HIS : no HD1:sc= -0.636 K(o=-0.64,f=0.17) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.016) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.577 7.948 -11.104 1.00 0.00 N ATOM 2 CA MET A 1 21.160 7.344 -9.883 1.00 0.00 C ATOM 3 C MET A 1 20.705 8.077 -8.621 1.00 0.00 C ATOM 4 O MET A 1 20.171 7.465 -7.699 1.00 0.00 O ATOM 5 CB MET A 1 22.691 7.362 -9.968 1.00 0.00 C ATOM 6 CG MET A 1 23.388 6.924 -8.690 1.00 0.00 C ATOM 7 SD MET A 1 22.909 5.267 -8.166 1.00 0.00 S ATOM 8 CE MET A 1 23.889 5.097 -6.677 1.00 0.00 C ATOM 0 H1 MET A 1 20.907 7.426 -11.941 1.00 0.00 H new ATOM 0 H2 MET A 1 19.539 7.901 -11.053 1.00 0.00 H new ATOM 0 H3 MET A 1 20.875 8.942 -11.176 1.00 0.00 H new ATOM 0 HA MET A 1 20.808 6.314 -9.821 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.007 6.711 -10.783 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.018 8.370 -10.221 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.467 6.955 -8.841 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.157 7.633 -7.895 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.705 4.120 -6.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.946 5.190 -6.925 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.613 5.878 -5.968 1.00 0.00 H new ATOM 20 N MET A 2 20.911 9.387 -8.585 1.00 0.00 N ATOM 21 CA MET A 2 20.640 10.175 -7.386 1.00 0.00 C ATOM 22 C MET A 2 19.202 10.686 -7.370 1.00 0.00 C ATOM 23 O MET A 2 18.768 11.378 -8.293 1.00 0.00 O ATOM 24 CB MET A 2 21.624 11.345 -7.311 1.00 0.00 C ATOM 25 CG MET A 2 21.460 12.230 -6.084 1.00 0.00 C ATOM 26 SD MET A 2 22.671 13.564 -6.043 1.00 0.00 S ATOM 27 CE MET A 2 22.218 14.394 -4.524 1.00 0.00 C ATOM 0 H MET A 2 21.266 9.929 -9.373 1.00 0.00 H new ATOM 0 HA MET A 2 20.770 9.534 -6.514 1.00 0.00 H new ATOM 0 HB2 MET A 2 22.640 10.950 -7.325 1.00 0.00 H new ATOM 0 HB3 MET A 2 21.508 11.959 -8.204 1.00 0.00 H new ATOM 0 HG2 MET A 2 20.455 12.653 -6.074 1.00 0.00 H new ATOM 0 HG3 MET A 2 21.559 11.623 -5.184 1.00 0.00 H new ATOM 0 HE1 MET A 2 22.857 15.265 -4.381 1.00 0.00 H new ATOM 0 HE2 MET A 2 21.177 14.713 -4.580 1.00 0.00 H new ATOM 0 HE3 MET A 2 22.343 13.710 -3.684 1.00 0.00 H new ATOM 37 N PHE A 3 18.471 10.345 -6.317 1.00 0.00 N ATOM 38 CA PHE A 3 17.080 10.763 -6.175 1.00 0.00 C ATOM 39 C PHE A 3 16.881 11.520 -4.867 1.00 0.00 C ATOM 40 O PHE A 3 16.624 12.724 -4.866 1.00 0.00 O ATOM 41 CB PHE A 3 16.143 9.552 -6.207 1.00 0.00 C ATOM 42 CG PHE A 3 16.155 8.786 -7.500 1.00 0.00 C ATOM 43 CD1 PHE A 3 15.375 9.194 -8.569 1.00 0.00 C ATOM 44 CD2 PHE A 3 16.935 7.650 -7.641 1.00 0.00 C ATOM 45 CE1 PHE A 3 15.376 8.484 -9.756 1.00 0.00 C ATOM 46 CE2 PHE A 3 16.940 6.938 -8.823 1.00 0.00 C ATOM 47 CZ PHE A 3 16.159 7.355 -9.883 1.00 0.00 C ATOM 0 H PHE A 3 18.819 9.777 -5.544 1.00 0.00 H new ATOM 0 HA PHE A 3 16.842 11.420 -7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 3 16.416 8.876 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.126 9.891 -6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 3 14.759 10.076 -8.475 1.00 0.00 H new ATOM 0 HD2 PHE A 3 17.547 7.317 -6.816 1.00 0.00 H new ATOM 0 HE1 PHE A 3 14.764 8.813 -10.583 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.554 6.055 -8.919 1.00 0.00 H new ATOM 0 HZ PHE A 3 16.161 6.799 -10.809 1.00 0.00 H new ATOM 57 N LEU A 4 16.980 10.784 -3.758 1.00 0.00 N ATOM 58 CA LEU A 4 16.834 11.339 -2.404 1.00 0.00 C ATOM 59 C LEU A 4 15.413 11.845 -2.131 1.00 0.00 C ATOM 60 O LEU A 4 15.140 12.367 -1.050 1.00 0.00 O ATOM 61 CB LEU A 4 17.850 12.462 -2.153 1.00 0.00 C ATOM 62 CG LEU A 4 19.312 12.016 -2.077 1.00 0.00 C ATOM 63 CD1 LEU A 4 20.218 13.212 -1.831 1.00 0.00 C ATOM 64 CD2 LEU A 4 19.495 10.973 -0.983 1.00 0.00 C ATOM 0 H LEU A 4 17.165 9.781 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 4 17.032 10.521 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 4 17.754 13.201 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 4 17.591 12.962 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 4 19.587 11.565 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.255 12.879 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 4 20.107 13.927 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 4 19.943 13.689 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 4 20.540 10.667 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 4 19.204 11.398 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 4 18.871 10.106 -1.199 1.00 0.00 H new ATOM 76 N ARG A 5 14.517 11.671 -3.106 1.00 0.00 N ATOM 77 CA ARG A 5 13.117 12.083 -2.975 1.00 0.00 C ATOM 78 C ARG A 5 12.983 13.591 -2.757 1.00 0.00 C ATOM 79 O ARG A 5 12.007 14.057 -2.173 1.00 0.00 O ATOM 80 CB ARG A 5 12.430 11.310 -1.843 1.00 0.00 C ATOM 81 CG ARG A 5 12.135 9.859 -2.191 1.00 0.00 C ATOM 82 CD ARG A 5 11.509 9.110 -1.023 1.00 0.00 C ATOM 83 NE ARG A 5 10.337 9.798 -0.483 1.00 0.00 N ATOM 84 CZ ARG A 5 9.130 9.242 -0.363 1.00 0.00 C ATOM 85 NH1 ARG A 5 8.906 8.011 -0.811 1.00 0.00 N ATOM 86 NH2 ARG A 5 8.136 9.926 0.190 1.00 0.00 N ATOM 0 H ARG A 5 14.740 11.243 -4.004 1.00 0.00 H new ATOM 0 HA ARG A 5 12.619 11.845 -3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.063 11.341 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.497 11.811 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.463 9.821 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.059 9.362 -2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.222 8.110 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.251 8.988 -0.234 1.00 0.00 H new ATOM 0 HE ARG A 5 10.449 10.765 -0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.660 7.483 -1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.980 7.594 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.295 10.877 0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.213 9.501 0.282 1.00 0.00 H new ATOM 100 N LYS A 6 13.955 14.350 -3.245 1.00 0.00 N ATOM 101 CA LYS A 6 13.889 15.804 -3.172 1.00 0.00 C ATOM 102 C LYS A 6 13.883 16.414 -4.566 1.00 0.00 C ATOM 103 O LYS A 6 14.093 17.618 -4.734 1.00 0.00 O ATOM 104 CB LYS A 6 15.050 16.373 -2.351 1.00 0.00 C ATOM 105 CG LYS A 6 14.614 16.914 -0.998 1.00 0.00 C ATOM 106 CD LYS A 6 15.752 17.618 -0.277 1.00 0.00 C ATOM 107 CE LYS A 6 15.275 18.228 1.035 1.00 0.00 C ATOM 108 NZ LYS A 6 14.251 19.287 0.818 1.00 0.00 N ATOM 0 H LYS A 6 14.795 13.985 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 6 12.957 16.067 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.797 15.594 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.531 17.171 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.785 17.609 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.245 16.095 -0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.556 16.909 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.164 18.399 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.858 17.445 1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.126 18.651 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.151 19.856 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.547 19.900 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.338 18.845 0.587 1.00 0.00 H new ATOM 122 N VAL A 7 13.631 15.581 -5.563 1.00 0.00 N ATOM 123 CA VAL A 7 13.547 16.046 -6.937 1.00 0.00 C ATOM 124 C VAL A 7 12.107 16.408 -7.271 1.00 0.00 C ATOM 125 O VAL A 7 11.224 15.549 -7.259 1.00 0.00 O ATOM 126 CB VAL A 7 14.054 14.983 -7.938 1.00 0.00 C ATOM 127 CG1 VAL A 7 14.093 15.549 -9.351 1.00 0.00 C ATOM 128 CG2 VAL A 7 15.426 14.468 -7.530 1.00 0.00 C ATOM 0 H VAL A 7 13.481 14.579 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 7 14.186 16.924 -7.027 1.00 0.00 H new ATOM 0 HB VAL A 7 13.357 14.145 -7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.453 14.784 -10.039 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.091 15.860 -9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 7 14.763 16.408 -9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.763 13.721 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.134 15.296 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.366 14.017 -6.540 1.00 0.00 H new ATOM 138 N GLU A 8 11.867 17.683 -7.539 1.00 0.00 N ATOM 139 CA GLU A 8 10.538 18.142 -7.901 1.00 0.00 C ATOM 140 C GLU A 8 10.249 17.804 -9.358 1.00 0.00 C ATOM 141 O GLU A 8 10.624 18.542 -10.270 1.00 0.00 O ATOM 142 CB GLU A 8 10.403 19.644 -7.653 1.00 0.00 C ATOM 143 CG GLU A 8 10.623 20.033 -6.200 1.00 0.00 C ATOM 144 CD GLU A 8 10.479 21.520 -5.967 1.00 0.00 C ATOM 145 OE1 GLU A 8 11.486 22.247 -6.080 1.00 0.00 O ATOM 146 OE2 GLU A 8 9.353 21.975 -5.673 1.00 0.00 O ATOM 0 H GLU A 8 12.576 18.416 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 8 9.806 17.631 -7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.122 20.175 -8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.410 19.969 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.908 19.500 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.618 19.715 -5.890 1.00 0.00 H new ATOM 153 N GLY A 9 9.608 16.667 -9.564 1.00 0.00 N ATOM 154 CA GLY A 9 9.335 16.186 -10.903 1.00 0.00 C ATOM 155 C GLY A 9 8.815 14.761 -10.890 1.00 0.00 C ATOM 156 O GLY A 9 7.708 14.498 -11.361 1.00 0.00 O ATOM 0 H GLY A 9 9.267 16.060 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.603 16.837 -11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.245 16.236 -11.501 1.00 0.00 H new ATOM 160 N PRO A 10 9.602 13.804 -10.363 1.00 0.00 N ATOM 161 CA PRO A 10 9.167 12.416 -10.199 1.00 0.00 C ATOM 162 C PRO A 10 8.160 12.268 -9.059 1.00 0.00 C ATOM 163 O PRO A 10 8.470 11.729 -7.998 1.00 0.00 O ATOM 164 CB PRO A 10 10.460 11.647 -9.876 1.00 0.00 C ATOM 165 CG PRO A 10 11.579 12.623 -10.063 1.00 0.00 C ATOM 166 CD PRO A 10 10.984 13.989 -9.909 1.00 0.00 C ATOM 0 HA PRO A 10 8.661 12.045 -11.090 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.442 11.265 -8.855 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.578 10.787 -10.536 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.365 12.457 -9.326 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.034 12.507 -11.047 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.026 14.333 -8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.511 14.728 -10.512 1.00 0.00 H new ATOM 174 N ARG A 11 6.951 12.763 -9.287 1.00 0.00 N ATOM 175 CA ARG A 11 5.890 12.693 -8.291 1.00 0.00 C ATOM 176 C ARG A 11 5.041 11.441 -8.522 1.00 0.00 C ATOM 177 O ARG A 11 3.936 11.305 -7.999 1.00 0.00 O ATOM 178 CB ARG A 11 5.028 13.960 -8.360 1.00 0.00 C ATOM 179 CG ARG A 11 4.191 14.214 -7.113 1.00 0.00 C ATOM 180 CD ARG A 11 5.062 14.360 -5.872 1.00 0.00 C ATOM 181 NE ARG A 11 6.087 15.394 -6.035 1.00 0.00 N ATOM 182 CZ ARG A 11 6.715 15.998 -5.025 1.00 0.00 C ATOM 183 NH1 ARG A 11 6.364 15.751 -3.767 1.00 0.00 N ATOM 184 NH2 ARG A 11 7.679 16.875 -5.280 1.00 0.00 N ATOM 0 H ARG A 11 6.680 13.220 -10.158 1.00 0.00 H new ATOM 0 HA ARG A 11 6.330 12.630 -7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.677 14.819 -8.529 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.364 13.888 -9.221 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.598 15.118 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.490 13.392 -6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.434 14.605 -5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.542 13.406 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 11 6.337 15.671 -6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.609 15.095 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.850 16.217 -3.001 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.936 17.084 -6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.162 17.340 -4.511 1.00 0.00 H new ATOM 198 N SER A 12 5.583 10.522 -9.307 1.00 0.00 N ATOM 199 CA SER A 12 4.921 9.266 -9.603 1.00 0.00 C ATOM 200 C SER A 12 5.922 8.129 -9.465 1.00 0.00 C ATOM 201 O SER A 12 7.108 8.304 -9.753 1.00 0.00 O ATOM 202 CB SER A 12 4.339 9.295 -11.019 1.00 0.00 C ATOM 203 OG SER A 12 3.539 8.151 -11.276 1.00 0.00 O ATOM 0 H SER A 12 6.493 10.628 -9.755 1.00 0.00 H new ATOM 0 HA SER A 12 4.102 9.113 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.740 10.196 -11.149 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.150 9.344 -11.746 1.00 0.00 H new ATOM 0 HG SER A 12 3.264 7.747 -10.427 1.00 0.00 H new ATOM 209 N VAL A 13 5.457 6.974 -9.022 1.00 0.00 N ATOM 210 CA VAL A 13 6.339 5.833 -8.821 1.00 0.00 C ATOM 211 C VAL A 13 6.047 4.726 -9.822 1.00 0.00 C ATOM 212 O VAL A 13 4.920 4.592 -10.304 1.00 0.00 O ATOM 213 CB VAL A 13 6.222 5.264 -7.392 1.00 0.00 C ATOM 214 CG1 VAL A 13 6.747 6.269 -6.379 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.780 4.887 -7.078 1.00 0.00 C ATOM 0 H VAL A 13 4.478 6.800 -8.795 1.00 0.00 H new ATOM 0 HA VAL A 13 7.355 6.197 -8.972 1.00 0.00 H new ATOM 0 HB VAL A 13 6.829 4.361 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.658 5.854 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.794 6.486 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.166 7.189 -6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.720 4.488 -6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.147 5.771 -7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.439 4.132 -7.786 1.00 0.00 H new ATOM 225 N THR A 14 7.067 3.948 -10.141 1.00 0.00 N ATOM 226 CA THR A 14 6.908 2.800 -11.018 1.00 0.00 C ATOM 227 C THR A 14 7.062 1.514 -10.218 1.00 0.00 C ATOM 228 O THR A 14 8.114 1.266 -9.625 1.00 0.00 O ATOM 229 CB THR A 14 7.940 2.814 -12.163 1.00 0.00 C ATOM 230 OG1 THR A 14 7.926 4.092 -12.815 1.00 0.00 O ATOM 231 CG2 THR A 14 7.638 1.715 -13.178 1.00 0.00 C ATOM 0 H THR A 14 8.019 4.091 -9.804 1.00 0.00 H new ATOM 0 HA THR A 14 5.911 2.852 -11.455 1.00 0.00 H new ATOM 0 HB THR A 14 8.927 2.632 -11.739 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.585 4.096 -13.541 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.379 1.744 -13.977 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.674 0.744 -12.684 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.645 1.871 -13.599 1.00 0.00 H new ATOM 239 N LEU A 15 6.010 0.713 -10.185 1.00 0.00 N ATOM 240 CA LEU A 15 6.029 -0.539 -9.446 1.00 0.00 C ATOM 241 C LEU A 15 6.701 -1.626 -10.277 1.00 0.00 C ATOM 242 O LEU A 15 6.655 -1.582 -11.506 1.00 0.00 O ATOM 243 CB LEU A 15 4.598 -0.971 -9.110 1.00 0.00 C ATOM 244 CG LEU A 15 3.734 0.086 -8.417 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.303 -0.407 -8.288 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.298 0.437 -7.049 1.00 0.00 C ATOM 0 H LEU A 15 5.130 0.908 -10.662 1.00 0.00 H new ATOM 0 HA LEU A 15 6.589 -0.391 -8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.102 -1.272 -10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.644 -1.853 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 15 3.742 0.988 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.699 0.354 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.896 -0.606 -9.279 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.286 -1.324 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.666 1.190 -6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.324 -0.457 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.308 0.830 -7.162 1.00 0.00 H new ATOM 258 N PRO A 16 7.320 -2.627 -9.621 1.00 0.00 N ATOM 259 CA PRO A 16 7.900 -3.796 -10.311 1.00 0.00 C ATOM 260 C PRO A 16 6.821 -4.646 -10.979 1.00 0.00 C ATOM 261 O PRO A 16 7.097 -5.677 -11.593 1.00 0.00 O ATOM 262 CB PRO A 16 8.585 -4.585 -9.188 1.00 0.00 C ATOM 263 CG PRO A 16 8.706 -3.628 -8.052 1.00 0.00 C ATOM 264 CD PRO A 16 7.535 -2.695 -8.169 1.00 0.00 C ATOM 0 HA PRO A 16 8.583 -3.504 -11.109 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.997 -5.458 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.564 -4.948 -9.503 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.693 -4.153 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.647 -3.081 -8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.658 -3.078 -7.647 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.754 -1.715 -7.746 1.00 0.00 H new ATOM 272 N ASP A 17 5.584 -4.202 -10.818 1.00 0.00 N ATOM 273 CA ASP A 17 4.429 -4.805 -11.463 1.00 0.00 C ATOM 274 C ASP A 17 4.381 -4.399 -12.933 1.00 0.00 C ATOM 275 O ASP A 17 3.781 -5.079 -13.766 1.00 0.00 O ATOM 276 CB ASP A 17 3.159 -4.338 -10.740 1.00 0.00 C ATOM 277 CG ASP A 17 1.878 -4.731 -11.449 1.00 0.00 C ATOM 278 OD1 ASP A 17 1.438 -3.983 -12.342 1.00 0.00 O ATOM 279 OD2 ASP A 17 1.287 -5.769 -11.093 1.00 0.00 O ATOM 0 H ASP A 17 5.352 -3.403 -10.228 1.00 0.00 H new ATOM 0 HA ASP A 17 4.500 -5.891 -11.409 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.150 -4.755 -9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.188 -3.253 -10.635 1.00 0.00 H new ATOM 284 N GLY A 18 5.034 -3.286 -13.243 1.00 0.00 N ATOM 285 CA GLY A 18 4.993 -2.751 -14.587 1.00 0.00 C ATOM 286 C GLY A 18 3.984 -1.634 -14.708 1.00 0.00 C ATOM 287 O GLY A 18 3.893 -0.972 -15.742 1.00 0.00 O ATOM 0 H GLY A 18 5.593 -2.744 -12.584 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.981 -2.382 -14.863 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.743 -3.546 -15.289 1.00 0.00 H new ATOM 291 N SER A 19 3.213 -1.442 -13.651 1.00 0.00 N ATOM 292 CA SER A 19 2.252 -0.356 -13.590 1.00 0.00 C ATOM 293 C SER A 19 2.790 0.764 -12.708 1.00 0.00 C ATOM 294 O SER A 19 3.581 0.518 -11.797 1.00 0.00 O ATOM 295 CB SER A 19 0.922 -0.865 -13.036 1.00 0.00 C ATOM 296 OG SER A 19 0.483 -2.019 -13.734 1.00 0.00 O ATOM 0 H SER A 19 3.235 -2.030 -12.818 1.00 0.00 H new ATOM 0 HA SER A 19 2.090 0.031 -14.596 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.031 -1.097 -11.977 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.169 -0.081 -13.114 1.00 0.00 H new ATOM 0 HG SER A 19 0.721 -2.821 -13.223 1.00 0.00 H new ATOM 302 N ILE A 20 2.370 1.987 -12.981 1.00 0.00 N ATOM 303 CA ILE A 20 2.785 3.119 -12.171 1.00 0.00 C ATOM 304 C ILE A 20 1.701 3.473 -11.167 1.00 0.00 C ATOM 305 O ILE A 20 0.565 3.022 -11.292 1.00 0.00 O ATOM 306 CB ILE A 20 3.088 4.366 -13.030 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.831 4.812 -13.786 1.00 0.00 C ATOM 308 CG2 ILE A 20 4.228 4.080 -13.997 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.983 6.145 -14.482 1.00 0.00 C ATOM 0 H ILE A 20 1.745 2.221 -13.753 1.00 0.00 H new ATOM 0 HA ILE A 20 3.698 2.822 -11.656 1.00 0.00 H new ATOM 0 HB ILE A 20 3.396 5.178 -12.371 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.574 4.053 -14.525 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.998 4.870 -13.086 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.429 4.969 -14.595 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.122 3.810 -13.435 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.950 3.256 -14.654 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.055 6.395 -14.995 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.210 6.916 -13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.794 6.086 -15.207 1.00 0.00 H new ATOM 321 N MET A 21 2.059 4.271 -10.173 1.00 0.00 N ATOM 322 CA MET A 21 1.092 4.775 -9.212 1.00 0.00 C ATOM 323 C MET A 21 1.307 6.257 -8.991 1.00 0.00 C ATOM 324 O MET A 21 2.428 6.712 -8.748 1.00 0.00 O ATOM 325 CB MET A 21 1.164 4.019 -7.884 1.00 0.00 C ATOM 326 CG MET A 21 0.441 2.683 -7.905 1.00 0.00 C ATOM 327 SD MET A 21 -1.313 2.832 -8.295 1.00 0.00 S ATOM 328 CE MET A 21 -1.891 3.787 -6.895 1.00 0.00 C ATOM 0 H MET A 21 3.016 4.584 -10.011 1.00 0.00 H new ATOM 0 HA MET A 21 0.096 4.614 -9.624 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.210 3.853 -7.626 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.737 4.641 -7.098 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.916 2.032 -8.639 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.551 2.202 -6.933 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.981 3.811 -6.896 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.539 3.328 -5.971 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.505 4.804 -6.964 1.00 0.00 H new ATOM 338 N THR A 22 0.227 7.004 -9.099 1.00 0.00 N ATOM 339 CA THR A 22 0.272 8.449 -8.980 1.00 0.00 C ATOM 340 C THR A 22 -0.902 8.917 -8.121 1.00 0.00 C ATOM 341 O THR A 22 -1.752 8.106 -7.739 1.00 0.00 O ATOM 342 CB THR A 22 0.193 9.104 -10.378 1.00 0.00 C ATOM 343 OG1 THR A 22 0.791 8.240 -11.355 1.00 0.00 O ATOM 344 CG2 THR A 22 0.907 10.450 -10.398 1.00 0.00 C ATOM 0 H THR A 22 -0.705 6.628 -9.271 1.00 0.00 H new ATOM 0 HA THR A 22 1.211 8.743 -8.511 1.00 0.00 H new ATOM 0 HB THR A 22 -0.859 9.264 -10.614 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.765 8.350 -11.337 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.834 10.886 -11.394 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.442 11.119 -9.674 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.956 10.309 -10.140 1.00 0.00 H new ATOM 352 N ARG A 23 -0.959 10.211 -7.822 1.00 0.00 N ATOM 353 CA ARG A 23 -2.055 10.774 -7.035 1.00 0.00 C ATOM 354 C ARG A 23 -3.334 10.871 -7.867 1.00 0.00 C ATOM 355 O ARG A 23 -3.901 11.949 -8.033 1.00 0.00 O ATOM 356 CB ARG A 23 -1.678 12.161 -6.509 1.00 0.00 C ATOM 357 CG ARG A 23 -0.424 12.172 -5.653 1.00 0.00 C ATOM 358 CD ARG A 23 -0.162 13.551 -5.068 1.00 0.00 C ATOM 359 NE ARG A 23 -1.207 13.953 -4.125 1.00 0.00 N ATOM 360 CZ ARG A 23 -1.098 14.981 -3.283 1.00 0.00 C ATOM 361 NH1 ARG A 23 -0.026 15.763 -3.315 1.00 0.00 N ATOM 362 NH2 ARG A 23 -2.081 15.242 -2.431 1.00 0.00 N ATOM 0 H ARG A 23 -0.258 10.892 -8.113 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.237 10.107 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.535 12.834 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.509 12.556 -5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.526 11.447 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.431 11.862 -6.254 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.803 13.553 -4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.101 14.282 -5.875 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.072 13.413 -4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.720 15.579 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.052 16.548 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.917 14.657 -2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.001 16.028 -1.785 1.00 0.00 H new ATOM 376 N ALA A 24 -3.771 9.734 -8.388 1.00 0.00 N ATOM 377 CA ALA A 24 -4.977 9.659 -9.201 1.00 0.00 C ATOM 378 C ALA A 24 -5.656 8.308 -9.019 1.00 0.00 C ATOM 379 O ALA A 24 -6.880 8.213 -8.971 1.00 0.00 O ATOM 380 CB ALA A 24 -4.642 9.893 -10.667 1.00 0.00 C ATOM 0 H ALA A 24 -3.301 8.838 -8.260 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.666 10.438 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.553 9.834 -11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.195 10.880 -10.785 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.938 9.133 -11.005 1.00 0.00 H new ATOM 386 N ASP A 25 -4.848 7.259 -8.910 1.00 0.00 N ATOM 387 CA ASP A 25 -5.365 5.912 -8.688 1.00 0.00 C ATOM 388 C ASP A 25 -5.420 5.590 -7.207 1.00 0.00 C ATOM 389 O ASP A 25 -5.592 4.437 -6.814 1.00 0.00 O ATOM 390 CB ASP A 25 -4.515 4.874 -9.419 1.00 0.00 C ATOM 391 CG ASP A 25 -4.975 4.671 -10.844 1.00 0.00 C ATOM 392 OD1 ASP A 25 -5.941 3.902 -11.052 1.00 0.00 O ATOM 393 OD2 ASP A 25 -4.396 5.294 -11.759 1.00 0.00 O ATOM 0 H ASP A 25 -3.831 7.315 -8.972 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.378 5.876 -9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.472 5.191 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.561 3.925 -8.884 1.00 0.00 H new ATOM 398 N LEU A 26 -5.274 6.617 -6.392 1.00 0.00 N ATOM 399 CA LEU A 26 -5.367 6.466 -4.953 1.00 0.00 C ATOM 400 C LEU A 26 -6.806 6.684 -4.502 1.00 0.00 C ATOM 401 O LEU A 26 -7.342 7.782 -4.656 1.00 0.00 O ATOM 402 CB LEU A 26 -4.438 7.459 -4.247 1.00 0.00 C ATOM 403 CG LEU A 26 -2.944 7.254 -4.508 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.131 8.379 -3.882 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.493 5.907 -3.964 1.00 0.00 C ATOM 0 H LEU A 26 -5.089 7.570 -6.705 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.058 5.455 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.709 8.468 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.615 7.397 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.777 7.269 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.071 8.215 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.437 9.332 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.302 8.396 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.428 5.775 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.675 5.869 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.052 5.111 -4.455 1.00 0.00 H new ATOM 417 N PRO A 27 -7.453 5.628 -3.972 1.00 0.00 N ATOM 418 CA PRO A 27 -8.823 5.695 -3.435 1.00 0.00 C ATOM 419 C PRO A 27 -9.043 6.905 -2.527 1.00 0.00 C ATOM 420 O PRO A 27 -8.458 6.999 -1.445 1.00 0.00 O ATOM 421 CB PRO A 27 -8.927 4.394 -2.643 1.00 0.00 C ATOM 422 CG PRO A 27 -8.072 3.449 -3.402 1.00 0.00 C ATOM 423 CD PRO A 27 -6.894 4.265 -3.860 1.00 0.00 C ATOM 0 HA PRO A 27 -9.574 5.806 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.574 4.519 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.957 4.043 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.754 2.615 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.610 3.024 -4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.073 4.224 -3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.504 3.910 -4.814 1.00 0.00 H new ATOM 431 N PRO A 28 -9.888 7.852 -2.970 1.00 0.00 N ATOM 432 CA PRO A 28 -10.142 9.109 -2.257 1.00 0.00 C ATOM 433 C PRO A 28 -11.045 8.926 -1.037 1.00 0.00 C ATOM 434 O PRO A 28 -12.095 9.572 -0.933 1.00 0.00 O ATOM 435 CB PRO A 28 -10.842 9.992 -3.306 1.00 0.00 C ATOM 436 CG PRO A 28 -10.778 9.234 -4.594 1.00 0.00 C ATOM 437 CD PRO A 28 -10.651 7.787 -4.221 1.00 0.00 C ATOM 0 HA PRO A 28 -9.218 9.536 -1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.875 10.191 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.345 10.958 -3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.674 9.405 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.928 9.557 -5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.624 7.317 -4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.128 7.214 -4.987 1.00 0.00 H new ATOM 445 N ALA A 29 -10.618 8.050 -0.126 1.00 0.00 N ATOM 446 CA ALA A 29 -11.320 7.776 1.131 1.00 0.00 C ATOM 447 C ALA A 29 -12.597 6.968 0.912 1.00 0.00 C ATOM 448 O ALA A 29 -12.742 5.874 1.457 1.00 0.00 O ATOM 449 CB ALA A 29 -11.618 9.063 1.896 1.00 0.00 C ATOM 0 H ALA A 29 -9.764 7.504 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.649 7.168 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.139 8.823 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.683 9.574 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.245 9.713 1.285 1.00 0.00 H new ATOM 455 N ASN A 30 -13.521 7.496 0.119 1.00 0.00 N ATOM 456 CA ASN A 30 -14.777 6.801 -0.130 1.00 0.00 C ATOM 457 C ASN A 30 -14.568 5.663 -1.114 1.00 0.00 C ATOM 458 O ASN A 30 -14.697 4.500 -0.739 1.00 0.00 O ATOM 459 CB ASN A 30 -15.853 7.750 -0.649 1.00 0.00 C ATOM 460 CG ASN A 30 -17.101 7.739 0.218 1.00 0.00 C ATOM 461 OD1 ASN A 30 -17.851 8.716 0.255 1.00 0.00 O ATOM 462 ND2 ASN A 30 -17.326 6.644 0.933 1.00 0.00 N ATOM 0 H ASN A 30 -13.426 8.393 -0.358 1.00 0.00 H new ATOM 0 HA ASN A 30 -15.120 6.394 0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.452 8.763 -0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.119 7.471 -1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -18.144 6.591 1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.681 5.856 0.875 1.00 0.00 H new ATOM 469 N THR A 31 -14.221 6.008 -2.356 1.00 0.00 N ATOM 470 CA THR A 31 -13.952 5.021 -3.404 1.00 0.00 C ATOM 471 C THR A 31 -15.176 4.145 -3.683 1.00 0.00 C ATOM 472 O THR A 31 -15.457 3.210 -2.934 1.00 0.00 O ATOM 473 CB THR A 31 -12.776 4.120 -3.007 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.756 4.922 -2.405 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.212 3.395 -4.221 1.00 0.00 C ATOM 0 H THR A 31 -14.119 6.975 -2.663 1.00 0.00 H new ATOM 0 HA THR A 31 -13.705 5.576 -4.309 1.00 0.00 H new ATOM 0 HB THR A 31 -13.129 3.371 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.446 4.492 -1.581 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.379 2.763 -3.913 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.990 2.777 -4.670 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.862 4.125 -4.951 1.00 0.00 H new ATOM 483 N ARG A 32 -15.917 4.448 -4.742 1.00 0.00 N ATOM 484 CA ARG A 32 -17.101 3.659 -5.059 1.00 0.00 C ATOM 485 C ARG A 32 -16.719 2.240 -5.471 1.00 0.00 C ATOM 486 O ARG A 32 -16.126 2.020 -6.529 1.00 0.00 O ATOM 487 CB ARG A 32 -17.974 4.321 -6.134 1.00 0.00 C ATOM 488 CG ARG A 32 -17.291 4.563 -7.471 1.00 0.00 C ATOM 489 CD ARG A 32 -18.317 4.873 -8.550 1.00 0.00 C ATOM 490 NE ARG A 32 -17.699 5.283 -9.809 1.00 0.00 N ATOM 491 CZ ARG A 32 -17.571 4.492 -10.873 1.00 0.00 C ATOM 492 NH1 ARG A 32 -17.956 3.222 -10.821 1.00 0.00 N ATOM 493 NH2 ARG A 32 -17.055 4.976 -11.992 1.00 0.00 N ATOM 0 H ARG A 32 -15.725 5.217 -5.384 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.698 3.607 -4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -18.851 3.696 -6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.332 5.276 -5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.588 5.391 -7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.713 3.684 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.935 3.992 -8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.980 5.664 -8.200 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.343 6.236 -9.877 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.354 2.844 -9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.854 2.624 -11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.758 5.951 -12.037 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.955 4.374 -12.809 1.00 0.00 H new ATOM 507 N ARG A 33 -17.053 1.296 -4.597 1.00 0.00 N ATOM 508 CA ARG A 33 -16.810 -0.127 -4.813 1.00 0.00 C ATOM 509 C ARG A 33 -15.314 -0.451 -4.777 1.00 0.00 C ATOM 510 O ARG A 33 -14.614 -0.385 -5.792 1.00 0.00 O ATOM 511 CB ARG A 33 -17.437 -0.594 -6.129 1.00 0.00 C ATOM 512 CG ARG A 33 -17.627 -2.096 -6.209 1.00 0.00 C ATOM 513 CD ARG A 33 -18.274 -2.497 -7.518 1.00 0.00 C ATOM 514 NE ARG A 33 -18.697 -3.894 -7.509 1.00 0.00 N ATOM 515 CZ ARG A 33 -18.202 -4.828 -8.315 1.00 0.00 C ATOM 516 NH1 ARG A 33 -17.263 -4.512 -9.196 1.00 0.00 N ATOM 517 NH2 ARG A 33 -18.652 -6.074 -8.240 1.00 0.00 N ATOM 0 H ARG A 33 -17.506 1.500 -3.706 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.286 -0.670 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -18.404 -0.106 -6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.807 -0.271 -6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.662 -2.593 -6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.245 -2.432 -5.377 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -19.136 -1.858 -7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -17.571 -2.336 -8.335 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.418 -4.171 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.921 -3.553 -9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.883 -5.228 -9.815 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.377 -6.315 -7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.273 -6.791 -8.858 1.00 0.00 H new ATOM 531 N TRP A 34 -14.828 -0.785 -3.586 1.00 0.00 N ATOM 532 CA TRP A 34 -13.434 -1.170 -3.397 1.00 0.00 C ATOM 533 C TRP A 34 -13.165 -2.533 -4.021 1.00 0.00 C ATOM 534 O TRP A 34 -13.363 -3.569 -3.385 1.00 0.00 O ATOM 535 CB TRP A 34 -13.075 -1.218 -1.909 1.00 0.00 C ATOM 536 CG TRP A 34 -12.917 0.130 -1.280 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.906 1.019 -0.982 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.690 0.732 -0.854 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.368 2.143 -0.411 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.011 1.992 -0.319 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.350 0.330 -0.878 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.042 2.852 0.187 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.392 1.186 -0.373 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.742 2.432 0.156 1.00 0.00 C ATOM 0 H TRP A 34 -15.384 -0.797 -2.731 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.816 -0.418 -3.888 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.850 -1.768 -1.376 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.147 -1.776 -1.787 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.958 0.861 -1.168 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -13.895 2.961 -0.104 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.071 -0.631 -1.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.308 3.818 0.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.354 0.888 -0.387 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.969 3.076 0.548 1.00 0.00 H new ATOM 555 N VAL A 35 -12.735 -2.535 -5.271 1.00 0.00 N ATOM 556 CA VAL A 35 -12.399 -3.781 -5.940 1.00 0.00 C ATOM 557 C VAL A 35 -10.978 -4.198 -5.582 1.00 0.00 C ATOM 558 O VAL A 35 -10.212 -3.396 -5.040 1.00 0.00 O ATOM 559 CB VAL A 35 -12.545 -3.676 -7.477 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.996 -3.416 -7.856 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.637 -2.592 -8.040 1.00 0.00 C ATOM 0 H VAL A 35 -12.611 -1.697 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.104 -4.537 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.239 -4.627 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.082 -3.345 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.619 -4.235 -7.496 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.328 -2.482 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.760 -2.540 -9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.901 -1.631 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.599 -2.828 -7.804 1.00 0.00 H new ATOM 571 N ALA A 36 -10.638 -5.448 -5.875 1.00 0.00 N ATOM 572 CA ALA A 36 -9.305 -5.974 -5.589 1.00 0.00 C ATOM 573 C ALA A 36 -8.223 -5.091 -6.201 1.00 0.00 C ATOM 574 O ALA A 36 -7.198 -4.828 -5.575 1.00 0.00 O ATOM 575 CB ALA A 36 -9.179 -7.404 -6.099 1.00 0.00 C ATOM 0 H ALA A 36 -11.269 -6.120 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.166 -5.974 -4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.181 -7.782 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.922 -8.032 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.344 -7.422 -7.176 1.00 0.00 H new ATOM 581 N SER A 37 -8.480 -4.612 -7.414 1.00 0.00 N ATOM 582 CA SER A 37 -7.546 -3.745 -8.119 1.00 0.00 C ATOM 583 C SER A 37 -7.283 -2.466 -7.320 1.00 0.00 C ATOM 584 O SER A 37 -6.164 -1.958 -7.294 1.00 0.00 O ATOM 585 CB SER A 37 -8.101 -3.409 -9.504 1.00 0.00 C ATOM 586 OG SER A 37 -7.187 -2.633 -10.257 1.00 0.00 O ATOM 0 H SER A 37 -9.336 -4.813 -7.932 1.00 0.00 H new ATOM 0 HA SER A 37 -6.597 -4.269 -8.233 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.325 -4.331 -10.041 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.040 -2.866 -9.398 1.00 0.00 H new ATOM 0 HG SER A 37 -7.572 -2.437 -11.137 1.00 0.00 H new ATOM 592 N ARG A 38 -8.314 -1.958 -6.648 1.00 0.00 N ATOM 593 CA ARG A 38 -8.171 -0.756 -5.835 1.00 0.00 C ATOM 594 C ARG A 38 -7.377 -1.063 -4.574 1.00 0.00 C ATOM 595 O ARG A 38 -6.450 -0.340 -4.234 1.00 0.00 O ATOM 596 CB ARG A 38 -9.535 -0.170 -5.456 1.00 0.00 C ATOM 597 CG ARG A 38 -10.334 0.393 -6.625 1.00 0.00 C ATOM 598 CD ARG A 38 -9.739 1.691 -7.166 1.00 0.00 C ATOM 599 NE ARG A 38 -8.441 1.495 -7.825 1.00 0.00 N ATOM 600 CZ ARG A 38 -7.932 2.319 -8.752 1.00 0.00 C ATOM 601 NH1 ARG A 38 -8.603 3.400 -9.137 1.00 0.00 N ATOM 602 NH2 ARG A 38 -6.750 2.061 -9.300 1.00 0.00 N ATOM 0 H ARG A 38 -9.252 -2.359 -6.651 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.635 -0.017 -6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.126 -0.946 -4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.384 0.622 -4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.373 -0.347 -7.425 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.361 0.572 -6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.437 2.137 -7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.621 2.400 -6.346 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.891 0.678 -7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.513 3.608 -8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.208 4.021 -9.843 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.226 1.233 -9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.366 2.691 -10.005 1.00 0.00 H new ATOM 616 N LYS A 39 -7.742 -2.151 -3.903 1.00 0.00 N ATOM 617 CA LYS A 39 -7.107 -2.545 -2.647 1.00 0.00 C ATOM 618 C LYS A 39 -5.601 -2.744 -2.824 1.00 0.00 C ATOM 619 O LYS A 39 -4.790 -2.172 -2.082 1.00 0.00 O ATOM 620 CB LYS A 39 -7.751 -3.830 -2.123 1.00 0.00 C ATOM 621 CG LYS A 39 -9.237 -3.692 -1.818 1.00 0.00 C ATOM 622 CD LYS A 39 -9.839 -5.018 -1.368 1.00 0.00 C ATOM 623 CE LYS A 39 -11.325 -4.891 -1.049 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.582 -3.975 0.095 1.00 0.00 N ATOM 0 H LYS A 39 -8.482 -2.782 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.255 -1.744 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.613 -4.621 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.231 -4.143 -1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.382 -2.942 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.760 -3.336 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.698 -5.764 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.308 -5.377 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.853 -4.525 -1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.731 -5.877 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.537 -4.147 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.880 -4.148 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.509 -2.989 -0.227 1.00 0.00 H new ATOM 638 N ILE A 40 -5.232 -3.537 -3.825 1.00 0.00 N ATOM 639 CA ILE A 40 -3.831 -3.818 -4.108 1.00 0.00 C ATOM 640 C ILE A 40 -3.096 -2.542 -4.524 1.00 0.00 C ATOM 641 O ILE A 40 -1.924 -2.347 -4.192 1.00 0.00 O ATOM 642 CB ILE A 40 -3.689 -4.893 -5.210 1.00 0.00 C ATOM 643 CG1 ILE A 40 -4.379 -6.190 -4.781 1.00 0.00 C ATOM 644 CG2 ILE A 40 -2.221 -5.151 -5.525 1.00 0.00 C ATOM 645 CD1 ILE A 40 -4.355 -7.272 -5.840 1.00 0.00 C ATOM 0 H ILE A 40 -5.888 -3.998 -4.456 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.380 -4.202 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.173 -4.523 -6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.897 -6.566 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.415 -5.971 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.144 -5.911 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.756 -4.228 -5.871 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.712 -5.499 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.862 -8.160 -5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.863 -6.916 -6.736 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.322 -7.520 -6.083 1.00 0.00 H new ATOM 657 N ALA A 41 -3.799 -1.664 -5.230 1.00 0.00 N ATOM 658 CA ALA A 41 -3.226 -0.394 -5.654 1.00 0.00 C ATOM 659 C ALA A 41 -2.887 0.482 -4.453 1.00 0.00 C ATOM 660 O ALA A 41 -1.911 1.228 -4.482 1.00 0.00 O ATOM 661 CB ALA A 41 -4.176 0.338 -6.588 1.00 0.00 C ATOM 0 H ALA A 41 -4.766 -1.809 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.303 -0.607 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.729 1.284 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.364 -0.275 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.117 0.531 -6.072 1.00 0.00 H new ATOM 667 N VAL A 42 -3.692 0.389 -3.396 1.00 0.00 N ATOM 668 CA VAL A 42 -3.462 1.188 -2.198 1.00 0.00 C ATOM 669 C VAL A 42 -2.153 0.791 -1.531 1.00 0.00 C ATOM 670 O VAL A 42 -1.262 1.622 -1.373 1.00 0.00 O ATOM 671 CB VAL A 42 -4.606 1.061 -1.166 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.404 2.040 -0.019 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.954 1.292 -1.814 1.00 0.00 C ATOM 0 H VAL A 42 -4.503 -0.227 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.418 2.226 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.585 0.045 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.219 1.935 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.457 1.829 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.391 3.058 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.739 1.196 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.984 2.293 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.111 0.554 -2.600 1.00 0.00 H new ATOM 683 N VAL A 43 -2.032 -0.485 -1.161 1.00 0.00 N ATOM 684 CA VAL A 43 -0.835 -0.962 -0.460 1.00 0.00 C ATOM 685 C VAL A 43 0.438 -0.706 -1.264 1.00 0.00 C ATOM 686 O VAL A 43 1.450 -0.279 -0.713 1.00 0.00 O ATOM 687 CB VAL A 43 -0.911 -2.461 -0.079 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.325 -2.614 1.373 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.873 -3.219 -0.983 1.00 0.00 C ATOM 0 H VAL A 43 -2.738 -1.201 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.797 -0.384 0.463 1.00 0.00 H new ATOM 0 HB VAL A 43 0.082 -2.890 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.375 -3.673 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.594 -2.121 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.304 -2.159 1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.901 -4.268 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.871 -2.790 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.537 -3.143 -2.017 1.00 0.00 H new ATOM 699 N ARG A 44 0.383 -0.945 -2.565 1.00 0.00 N ATOM 700 CA ARG A 44 1.534 -0.695 -3.427 1.00 0.00 C ATOM 701 C ARG A 44 1.800 0.803 -3.551 1.00 0.00 C ATOM 702 O ARG A 44 2.949 1.248 -3.474 1.00 0.00 O ATOM 703 CB ARG A 44 1.309 -1.298 -4.814 1.00 0.00 C ATOM 704 CG ARG A 44 1.319 -2.819 -4.838 1.00 0.00 C ATOM 705 CD ARG A 44 1.017 -3.346 -6.232 1.00 0.00 C ATOM 706 NE ARG A 44 1.137 -4.803 -6.323 1.00 0.00 N ATOM 707 CZ ARG A 44 0.933 -5.501 -7.445 1.00 0.00 C ATOM 708 NH1 ARG A 44 0.552 -4.888 -8.556 1.00 0.00 N ATOM 709 NH2 ARG A 44 1.099 -6.817 -7.447 1.00 0.00 N ATOM 0 H ARG A 44 -0.439 -1.309 -3.047 1.00 0.00 H new ATOM 0 HA ARG A 44 2.404 -1.170 -2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.353 -0.945 -5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.082 -0.929 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.292 -3.185 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.581 -3.202 -4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.007 -3.050 -6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.698 -2.884 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 44 1.392 -5.316 -5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.413 -3.878 -8.559 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.398 -5.426 -9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.382 -7.297 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.943 -7.349 -8.303 1.00 0.00 H new ATOM 723 N GLY A 45 0.728 1.567 -3.715 1.00 0.00 N ATOM 724 CA GLY A 45 0.838 2.993 -3.949 1.00 0.00 C ATOM 725 C GLY A 45 1.329 3.769 -2.747 1.00 0.00 C ATOM 726 O GLY A 45 2.052 4.750 -2.899 1.00 0.00 O ATOM 0 H GLY A 45 -0.230 1.217 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.518 3.164 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.136 3.380 -4.247 1.00 0.00 H new ATOM 730 N VAL A 46 0.940 3.357 -1.550 1.00 0.00 N ATOM 731 CA VAL A 46 1.373 4.066 -0.354 1.00 0.00 C ATOM 732 C VAL A 46 2.744 3.580 0.117 1.00 0.00 C ATOM 733 O VAL A 46 3.683 4.372 0.194 1.00 0.00 O ATOM 734 CB VAL A 46 0.336 3.986 0.803 1.00 0.00 C ATOM 735 CG1 VAL A 46 -0.953 4.686 0.406 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.042 2.548 1.211 1.00 0.00 C ATOM 0 H VAL A 46 0.337 2.552 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 46 1.455 5.116 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 46 0.774 4.491 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.669 4.622 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.746 5.733 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.370 4.206 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.687 2.542 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.360 2.002 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.962 2.070 1.547 1.00 0.00 H new ATOM 746 N ILE A 47 2.865 2.274 0.357 1.00 0.00 N ATOM 747 CA ILE A 47 4.061 1.689 0.962 1.00 0.00 C ATOM 748 C ILE A 47 5.294 1.886 0.088 1.00 0.00 C ATOM 749 O ILE A 47 6.340 2.325 0.566 1.00 0.00 O ATOM 750 CB ILE A 47 3.864 0.176 1.233 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.727 -0.045 2.236 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.150 -0.465 1.743 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.438 -1.504 2.512 1.00 0.00 C ATOM 0 H ILE A 47 2.138 1.593 0.138 1.00 0.00 H new ATOM 0 HA ILE A 47 4.219 2.209 1.907 1.00 0.00 H new ATOM 0 HB ILE A 47 3.599 -0.301 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.979 0.450 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.822 0.431 1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.981 -1.526 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.937 -0.345 0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.454 0.018 2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.622 -1.584 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.154 -2.001 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.329 -1.980 2.921 1.00 0.00 H new ATOM 765 N TYR A 48 5.169 1.568 -1.191 1.00 0.00 N ATOM 766 CA TYR A 48 6.301 1.649 -2.100 1.00 0.00 C ATOM 767 C TYR A 48 6.268 2.966 -2.867 1.00 0.00 C ATOM 768 O TYR A 48 7.222 3.329 -3.558 1.00 0.00 O ATOM 769 CB TYR A 48 6.269 0.459 -3.068 1.00 0.00 C ATOM 770 CG TYR A 48 7.480 0.351 -3.965 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.720 -0.001 -3.454 1.00 0.00 C ATOM 772 CD2 TYR A 48 7.376 0.600 -5.325 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.828 -0.099 -4.275 1.00 0.00 C ATOM 774 CE2 TYR A 48 8.476 0.502 -6.156 1.00 0.00 C ATOM 775 CZ TYR A 48 9.699 0.152 -5.625 1.00 0.00 C ATOM 776 OH TYR A 48 10.799 0.055 -6.449 1.00 0.00 O ATOM 0 H TYR A 48 4.300 1.253 -1.621 1.00 0.00 H new ATOM 0 HA TYR A 48 7.227 1.612 -1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.177 -0.461 -2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.377 0.536 -3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.822 -0.202 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.419 0.875 -5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.788 -0.370 -3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.378 0.698 -7.214 1.00 0.00 H new ATOM 0 HH TYR A 48 10.537 0.262 -7.370 1.00 0.00 H new ATOM 786 N GLY A 49 5.169 3.684 -2.728 1.00 0.00 N ATOM 787 CA GLY A 49 4.969 4.875 -3.517 1.00 0.00 C ATOM 788 C GLY A 49 5.244 6.169 -2.776 1.00 0.00 C ATOM 789 O GLY A 49 6.283 6.803 -2.979 1.00 0.00 O ATOM 0 H GLY A 49 4.411 3.463 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.615 4.828 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.941 4.889 -3.878 1.00 0.00 H new ATOM 793 N LEU A 50 4.321 6.562 -1.908 1.00 0.00 N ATOM 794 CA LEU A 50 4.322 7.919 -1.373 1.00 0.00 C ATOM 795 C LEU A 50 4.787 7.994 0.077 1.00 0.00 C ATOM 796 O LEU A 50 5.911 8.410 0.355 1.00 0.00 O ATOM 797 CB LEU A 50 2.927 8.553 -1.493 1.00 0.00 C ATOM 798 CG LEU A 50 2.533 9.064 -2.886 1.00 0.00 C ATOM 799 CD1 LEU A 50 2.301 7.914 -3.854 1.00 0.00 C ATOM 800 CD2 LEU A 50 1.286 9.931 -2.792 1.00 0.00 C ATOM 0 H LEU A 50 3.568 5.967 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 50 5.040 8.476 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.188 7.817 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.868 9.386 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 50 3.359 9.663 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.024 8.311 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.215 7.327 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.498 7.279 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.015 10.288 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.465 9.344 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.483 10.783 -2.142 1.00 0.00 H new ATOM 812 N ILE A 51 3.921 7.590 0.995 1.00 0.00 N ATOM 813 CA ILE A 51 4.121 7.880 2.410 1.00 0.00 C ATOM 814 C ILE A 51 4.200 6.606 3.242 1.00 0.00 C ATOM 815 O ILE A 51 4.105 5.502 2.716 1.00 0.00 O ATOM 816 CB ILE A 51 2.987 8.779 2.976 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.639 8.029 3.046 1.00 0.00 C ATOM 818 CG2 ILE A 51 2.848 10.051 2.148 1.00 0.00 C ATOM 819 CD1 ILE A 51 1.004 7.716 1.707 1.00 0.00 C ATOM 0 H ILE A 51 3.074 7.061 0.787 1.00 0.00 H new ATOM 0 HA ILE A 51 5.070 8.411 2.480 1.00 0.00 H new ATOM 0 HB ILE A 51 3.264 9.050 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.789 7.094 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.939 8.626 3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.049 10.668 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.785 10.607 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.610 9.790 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.063 7.189 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.814 8.644 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.677 7.089 1.123 1.00 0.00 H new ATOM 831 N THR A 52 4.366 6.773 4.544 1.00 0.00 N ATOM 832 CA THR A 52 4.423 5.645 5.455 1.00 0.00 C ATOM 833 C THR A 52 3.025 5.100 5.722 1.00 0.00 C ATOM 834 O THR A 52 2.021 5.733 5.380 1.00 0.00 O ATOM 835 CB THR A 52 5.069 6.041 6.798 1.00 0.00 C ATOM 836 OG1 THR A 52 4.259 7.025 7.458 1.00 0.00 O ATOM 837 CG2 THR A 52 6.474 6.587 6.589 1.00 0.00 C ATOM 0 H THR A 52 4.464 7.683 4.994 1.00 0.00 H new ATOM 0 HA THR A 52 5.033 4.877 4.980 1.00 0.00 H new ATOM 0 HB THR A 52 5.137 5.148 7.420 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.674 7.271 8.311 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.906 6.858 7.552 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.093 5.826 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.430 7.469 5.950 1.00 0.00 H new ATOM 845 N LEU A 53 2.963 3.931 6.347 1.00 0.00 N ATOM 846 CA LEU A 53 1.690 3.338 6.711 1.00 0.00 C ATOM 847 C LEU A 53 1.011 4.188 7.775 1.00 0.00 C ATOM 848 O LEU A 53 -0.204 4.340 7.770 1.00 0.00 O ATOM 849 CB LEU A 53 1.880 1.903 7.220 1.00 0.00 C ATOM 850 CG LEU A 53 0.621 1.244 7.787 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.485 1.214 6.745 1.00 0.00 C ATOM 852 CD2 LEU A 53 0.936 -0.158 8.286 1.00 0.00 C ATOM 0 H LEU A 53 3.779 3.379 6.610 1.00 0.00 H new ATOM 0 HA LEU A 53 1.058 3.301 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.255 1.290 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.649 1.907 7.993 1.00 0.00 H new ATOM 0 HG LEU A 53 0.270 1.837 8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.371 0.741 7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.727 2.233 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.151 0.646 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.030 -0.614 8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.312 -0.762 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.692 -0.104 9.069 1.00 0.00 H new ATOM 864 N ALA A 54 1.808 4.760 8.672 1.00 0.00 N ATOM 865 CA ALA A 54 1.278 5.609 9.734 1.00 0.00 C ATOM 866 C ALA A 54 0.544 6.810 9.147 1.00 0.00 C ATOM 867 O ALA A 54 -0.518 7.197 9.632 1.00 0.00 O ATOM 868 CB ALA A 54 2.399 6.066 10.656 1.00 0.00 C ATOM 0 H ALA A 54 2.822 4.651 8.685 1.00 0.00 H new ATOM 0 HA ALA A 54 0.566 5.026 10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.988 6.698 11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.879 5.196 11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.134 6.631 10.083 1.00 0.00 H new ATOM 874 N GLU A 55 1.106 7.378 8.088 1.00 0.00 N ATOM 875 CA GLU A 55 0.500 8.514 7.404 1.00 0.00 C ATOM 876 C GLU A 55 -0.830 8.098 6.770 1.00 0.00 C ATOM 877 O GLU A 55 -1.850 8.779 6.913 1.00 0.00 O ATOM 878 CB GLU A 55 1.455 9.019 6.325 1.00 0.00 C ATOM 879 CG GLU A 55 1.137 10.413 5.817 1.00 0.00 C ATOM 880 CD GLU A 55 1.369 11.475 6.866 1.00 0.00 C ATOM 881 OE1 GLU A 55 2.415 11.425 7.544 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.524 12.382 6.994 1.00 0.00 O ATOM 0 H GLU A 55 1.988 7.068 7.681 1.00 0.00 H new ATOM 0 HA GLU A 55 0.309 9.310 8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.470 9.012 6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.436 8.325 5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.753 10.628 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.098 10.450 5.491 1.00 0.00 H new ATOM 889 N ALA A 56 -0.809 6.953 6.094 1.00 0.00 N ATOM 890 CA ALA A 56 -2.004 6.405 5.457 1.00 0.00 C ATOM 891 C ALA A 56 -2.954 5.817 6.485 1.00 0.00 C ATOM 892 O ALA A 56 -4.020 5.357 6.134 1.00 0.00 O ATOM 893 CB ALA A 56 -1.616 5.355 4.426 1.00 0.00 C ATOM 0 H ALA A 56 0.028 6.383 5.972 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.523 7.220 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.515 4.954 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.983 5.810 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.071 4.548 4.916 1.00 0.00 H new ATOM 899 N LYS A 57 -2.569 5.831 7.748 1.00 0.00 N ATOM 900 CA LYS A 57 -3.479 5.434 8.809 1.00 0.00 C ATOM 901 C LYS A 57 -4.182 6.657 9.376 1.00 0.00 C ATOM 902 O LYS A 57 -5.368 6.606 9.699 1.00 0.00 O ATOM 903 CB LYS A 57 -2.744 4.666 9.909 1.00 0.00 C ATOM 904 CG LYS A 57 -2.450 3.224 9.523 1.00 0.00 C ATOM 905 CD LYS A 57 -1.553 2.528 10.535 1.00 0.00 C ATOM 906 CE LYS A 57 -2.181 2.468 11.920 1.00 0.00 C ATOM 907 NZ LYS A 57 -1.395 1.597 12.833 1.00 0.00 N ATOM 0 H LYS A 57 -1.640 6.110 8.064 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.229 4.764 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.807 5.175 10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.344 4.679 10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.388 2.675 9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.974 3.202 8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.339 1.516 10.192 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.600 3.053 10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.243 3.473 12.337 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.201 2.091 11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.848 1.576 13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.357 0.633 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.429 1.972 12.924 1.00 0.00 H new ATOM 921 N GLN A 58 -3.452 7.762 9.458 1.00 0.00 N ATOM 922 CA GLN A 58 -4.014 9.027 9.922 1.00 0.00 C ATOM 923 C GLN A 58 -5.164 9.465 9.024 1.00 0.00 C ATOM 924 O GLN A 58 -6.194 9.949 9.497 1.00 0.00 O ATOM 925 CB GLN A 58 -2.937 10.110 9.938 1.00 0.00 C ATOM 926 CG GLN A 58 -1.767 9.792 10.851 1.00 0.00 C ATOM 927 CD GLN A 58 -0.665 10.828 10.773 1.00 0.00 C ATOM 928 OE1 GLN A 58 -0.916 12.011 10.533 1.00 0.00 O ATOM 929 NE2 GLN A 58 0.566 10.389 10.969 1.00 0.00 N ATOM 0 H GLN A 58 -2.464 7.809 9.208 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.392 8.880 10.934 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.566 10.256 8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.386 11.052 10.252 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.122 9.723 11.879 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.361 8.815 10.587 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.730 9.402 11.165 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.352 11.038 10.924 1.00 0.00 H new ATOM 938 N THR A 59 -4.982 9.296 7.725 1.00 0.00 N ATOM 939 CA THR A 59 -6.006 9.672 6.769 1.00 0.00 C ATOM 940 C THR A 59 -6.811 8.458 6.295 1.00 0.00 C ATOM 941 O THR A 59 -8.039 8.453 6.363 1.00 0.00 O ATOM 942 CB THR A 59 -5.379 10.373 5.550 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.425 11.352 5.987 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.449 11.049 4.702 1.00 0.00 C ATOM 0 H THR A 59 -4.137 8.902 7.311 1.00 0.00 H new ATOM 0 HA THR A 59 -6.683 10.359 7.278 1.00 0.00 H new ATOM 0 HB THR A 59 -4.879 9.619 4.943 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.028 11.793 5.207 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.981 11.537 3.847 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.160 10.302 4.349 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.973 11.793 5.302 1.00 0.00 H new ATOM 952 N TYR A 60 -6.112 7.424 5.841 1.00 0.00 N ATOM 953 CA TYR A 60 -6.748 6.309 5.153 1.00 0.00 C ATOM 954 C TYR A 60 -6.783 5.054 6.017 1.00 0.00 C ATOM 955 O TYR A 60 -6.918 3.970 5.485 1.00 0.00 O ATOM 956 CB TYR A 60 -6.034 6.007 3.832 1.00 0.00 C ATOM 957 CG TYR A 60 -5.959 7.190 2.892 1.00 0.00 C ATOM 958 CD1 TYR A 60 -7.080 7.617 2.192 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.768 7.880 2.704 1.00 0.00 C ATOM 960 CE1 TYR A 60 -7.019 8.702 1.337 1.00 0.00 C ATOM 961 CE2 TYR A 60 -4.699 8.966 1.852 1.00 0.00 C ATOM 962 CZ TYR A 60 -5.827 9.371 1.169 1.00 0.00 C ATOM 963 OH TYR A 60 -5.763 10.455 0.320 1.00 0.00 O ATOM 0 H TYR A 60 -5.100 7.336 5.938 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.776 6.607 4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.023 5.662 4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.550 5.189 3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.016 7.092 2.318 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.881 7.562 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.902 9.023 0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.766 9.495 1.722 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.851 10.814 0.316 1.00 0.00 H new ATOM 973 N GLY A 61 -6.623 5.225 7.335 1.00 0.00 N ATOM 974 CA GLY A 61 -6.445 4.114 8.279 1.00 0.00 C ATOM 975 C GLY A 61 -7.221 2.839 7.986 1.00 0.00 C ATOM 976 O GLY A 61 -6.721 1.747 8.262 1.00 0.00 O ATOM 0 H GLY A 61 -6.613 6.143 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.384 3.866 8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.726 4.463 9.273 1.00 0.00 H new ATOM 980 N LEU A 62 -8.430 2.970 7.443 1.00 0.00 N ATOM 981 CA LEU A 62 -9.266 1.806 7.125 1.00 0.00 C ATOM 982 C LEU A 62 -9.539 0.986 8.383 1.00 0.00 C ATOM 983 O LEU A 62 -9.611 1.524 9.491 1.00 0.00 O ATOM 984 CB LEU A 62 -8.567 0.907 6.092 1.00 0.00 C ATOM 985 CG LEU A 62 -8.158 1.584 4.787 1.00 0.00 C ATOM 986 CD1 LEU A 62 -6.813 1.053 4.323 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.205 1.364 3.713 1.00 0.00 C ATOM 0 H LEU A 62 -8.855 3.868 7.213 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.207 2.172 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.675 0.482 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.230 0.075 5.855 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.075 2.656 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.530 1.543 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.059 1.257 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.883 -0.023 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.891 1.856 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.321 0.295 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.157 1.782 4.041 1.00 0.00 H new ATOM 999 N SER A 63 -9.705 -0.312 8.193 1.00 0.00 N ATOM 1000 CA SER A 63 -9.815 -1.247 9.295 1.00 0.00 C ATOM 1001 C SER A 63 -8.574 -2.136 9.325 1.00 0.00 C ATOM 1002 O SER A 63 -7.991 -2.418 8.273 1.00 0.00 O ATOM 1003 CB SER A 63 -11.075 -2.102 9.138 1.00 0.00 C ATOM 1004 OG SER A 63 -12.235 -1.293 9.028 1.00 0.00 O ATOM 0 H SER A 63 -9.767 -0.745 7.271 1.00 0.00 H new ATOM 0 HA SER A 63 -9.888 -0.696 10.233 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.982 -2.731 8.253 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.174 -2.769 9.994 1.00 0.00 H new ATOM 0 HG SER A 63 -13.024 -1.865 8.927 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.174 -2.571 10.520 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.993 -3.424 10.682 1.00 0.00 C ATOM 1012 C ASP A 64 -7.093 -4.650 9.784 1.00 0.00 C ATOM 1013 O ASP A 64 -6.185 -4.940 9.005 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.838 -3.878 12.142 1.00 0.00 C ATOM 1015 CG ASP A 64 -6.600 -2.730 13.103 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -7.584 -2.080 13.509 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -5.429 -2.479 13.466 1.00 0.00 O ATOM 0 H ASP A 64 -8.651 -2.347 11.393 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.120 -2.836 10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.736 -4.417 12.445 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.007 -4.579 12.211 1.00 0.00 H new ATOM 1022 N GLU A 65 -8.223 -5.343 9.880 1.00 0.00 N ATOM 1023 CA GLU A 65 -8.450 -6.573 9.127 1.00 0.00 C ATOM 1024 C GLU A 65 -8.368 -6.326 7.623 1.00 0.00 C ATOM 1025 O GLU A 65 -7.815 -7.136 6.879 1.00 0.00 O ATOM 1026 CB GLU A 65 -9.817 -7.151 9.475 1.00 0.00 C ATOM 1027 CG GLU A 65 -9.976 -7.472 10.947 1.00 0.00 C ATOM 1028 CD GLU A 65 -11.418 -7.703 11.328 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -12.126 -6.710 11.611 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -11.856 -8.869 11.348 1.00 0.00 O ATOM 0 H GLU A 65 -9.003 -5.071 10.478 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.669 -7.283 9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.590 -6.441 9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.979 -8.058 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.392 -8.360 11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.572 -6.653 11.541 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.914 -5.197 7.190 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.926 -4.850 5.776 1.00 0.00 C ATOM 1039 C GLU A 66 -7.504 -4.719 5.246 1.00 0.00 C ATOM 1040 O GLU A 66 -7.132 -5.378 4.280 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.686 -3.543 5.550 1.00 0.00 C ATOM 1042 CG GLU A 66 -9.770 -3.137 4.086 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.767 -3.959 3.294 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.971 -3.890 3.599 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.352 -4.666 2.350 1.00 0.00 O ATOM 0 H GLU A 66 -9.354 -4.506 7.798 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.432 -5.650 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.695 -3.645 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.199 -2.746 6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.046 -2.084 4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.784 -3.236 3.631 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.701 -3.891 5.901 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.330 -3.670 5.465 1.00 0.00 C ATOM 1054 C PHE A 67 -4.525 -4.962 5.587 1.00 0.00 C ATOM 1055 O PHE A 67 -3.679 -5.264 4.743 1.00 0.00 O ATOM 1056 CB PHE A 67 -4.669 -2.555 6.284 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.326 -2.149 5.750 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -3.230 -1.215 4.731 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -2.163 -2.710 6.254 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -2.000 -0.847 4.227 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -0.929 -2.346 5.751 1.00 0.00 C ATOM 1062 CZ PHE A 67 -0.846 -1.415 4.734 1.00 0.00 C ATOM 0 H PHE A 67 -6.974 -3.365 6.731 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.349 -3.360 4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.326 -1.685 6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.558 -2.888 7.316 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.128 -0.771 4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.222 -3.439 7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.938 -0.115 3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.030 -2.789 6.153 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.117 -1.132 4.336 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.811 -5.731 6.638 1.00 0.00 N ATOM 1073 CA ASN A 68 -4.160 -7.023 6.856 1.00 0.00 C ATOM 1074 C ASN A 68 -4.410 -7.963 5.685 1.00 0.00 C ATOM 1075 O ASN A 68 -3.497 -8.652 5.229 1.00 0.00 O ATOM 1076 CB ASN A 68 -4.665 -7.683 8.147 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.941 -7.214 9.400 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -3.816 -7.963 10.369 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -3.469 -5.975 9.403 1.00 0.00 N ATOM 0 H ASN A 68 -5.492 -5.480 7.354 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.090 -6.836 6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.730 -7.478 8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.555 -8.764 8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.985 -5.616 10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.590 -5.381 8.583 1.00 0.00 H new ATOM 1086 N SER A 69 -5.644 -7.978 5.194 1.00 0.00 N ATOM 1087 CA SER A 69 -6.036 -8.902 4.142 1.00 0.00 C ATOM 1088 C SER A 69 -5.251 -8.642 2.854 1.00 0.00 C ATOM 1089 O SER A 69 -4.859 -9.582 2.162 1.00 0.00 O ATOM 1090 CB SER A 69 -7.549 -8.811 3.884 1.00 0.00 C ATOM 1091 OG SER A 69 -7.905 -7.599 3.245 1.00 0.00 O ATOM 0 H SER A 69 -6.390 -7.358 5.510 1.00 0.00 H new ATOM 0 HA SER A 69 -5.800 -9.912 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.863 -9.653 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.084 -8.893 4.830 1.00 0.00 H new ATOM 0 HG SER A 69 -7.357 -6.868 3.601 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.997 -7.369 2.552 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.327 -7.005 1.309 1.00 0.00 C ATOM 1099 C TRP A 70 -2.913 -7.563 1.281 1.00 0.00 C ATOM 1100 O TRP A 70 -2.537 -8.296 0.368 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.279 -5.482 1.138 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.615 -4.806 1.226 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.846 -5.401 1.247 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -5.854 -3.396 1.294 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.827 -4.449 1.356 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.244 -3.209 1.376 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.023 -2.274 1.306 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -7.822 -1.947 1.461 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.598 -1.022 1.389 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -6.987 -0.868 1.467 1.00 0.00 C ATOM 0 H TRP A 70 -5.244 -6.579 3.148 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.899 -7.434 0.486 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.623 -5.063 1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.832 -5.251 0.171 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.020 -6.465 1.187 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.828 -4.634 1.413 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.950 -2.384 1.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.893 -1.825 1.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -4.966 -0.147 1.394 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.406 0.125 1.533 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.142 -7.235 2.308 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.742 -7.632 2.365 1.00 0.00 C ATOM 1123 C VAL A 71 -0.604 -9.148 2.485 1.00 0.00 C ATOM 1124 O VAL A 71 0.270 -9.744 1.868 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.009 -6.963 3.543 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.485 -7.247 3.481 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.272 -5.463 3.564 1.00 0.00 C ATOM 0 H VAL A 71 -2.462 -6.696 3.112 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.284 -7.301 1.433 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.398 -7.388 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.982 -6.765 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.653 -8.323 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.891 -6.857 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.256 -5.013 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.081 -5.019 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.342 -5.283 3.669 1.00 0.00 H new ATOM 1137 N SER A 72 -1.481 -9.771 3.261 1.00 0.00 N ATOM 1138 CA SER A 72 -1.413 -11.211 3.477 1.00 0.00 C ATOM 1139 C SER A 72 -1.724 -11.980 2.192 1.00 0.00 C ATOM 1140 O SER A 72 -1.178 -13.062 1.959 1.00 0.00 O ATOM 1141 CB SER A 72 -2.371 -11.619 4.595 1.00 0.00 C ATOM 1142 OG SER A 72 -2.082 -10.906 5.789 1.00 0.00 O ATOM 0 H SER A 72 -2.245 -9.305 3.750 1.00 0.00 H new ATOM 0 HA SER A 72 -0.395 -11.464 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.399 -11.424 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.290 -12.691 4.777 1.00 0.00 H new ATOM 0 HG SER A 72 -2.636 -10.099 5.830 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.581 -11.414 1.349 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.919 -12.040 0.077 1.00 0.00 C ATOM 1150 C ALA A 73 -1.776 -11.857 -0.911 1.00 0.00 C ATOM 1151 O ALA A 73 -1.484 -12.735 -1.724 1.00 0.00 O ATOM 1152 CB ALA A 73 -4.210 -11.456 -0.478 1.00 0.00 C ATOM 0 H ALA A 73 -3.052 -10.526 1.523 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.073 -13.107 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.447 -11.935 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.021 -11.630 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.087 -10.384 -0.633 1.00 0.00 H new ATOM 1158 N LEU A 74 -1.118 -10.713 -0.808 1.00 0.00 N ATOM 1159 CA LEU A 74 0.013 -10.387 -1.663 1.00 0.00 C ATOM 1160 C LEU A 74 1.265 -11.128 -1.206 1.00 0.00 C ATOM 1161 O LEU A 74 2.193 -11.349 -1.982 1.00 0.00 O ATOM 1162 CB LEU A 74 0.254 -8.877 -1.636 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.888 -8.037 -2.207 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.591 -6.558 -2.045 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -1.125 -8.379 -3.671 1.00 0.00 C ATOM 0 H LEU A 74 -1.352 -9.986 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.214 -10.699 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.433 -8.570 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.163 -8.658 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.797 -8.268 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.414 -5.974 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.474 -6.324 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.329 -6.311 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.942 -7.770 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.219 -8.178 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.384 -9.434 -3.761 1.00 0.00 H new ATOM 1177 N ALA A 75 1.273 -11.512 0.062 1.00 0.00 N ATOM 1178 CA ALA A 75 2.405 -12.206 0.652 1.00 0.00 C ATOM 1179 C ALA A 75 2.468 -13.658 0.198 1.00 0.00 C ATOM 1180 O ALA A 75 3.541 -14.267 0.212 1.00 0.00 O ATOM 1181 CB ALA A 75 2.326 -12.139 2.170 1.00 0.00 C ATOM 0 H ALA A 75 0.499 -11.352 0.707 1.00 0.00 H new ATOM 0 HA ALA A 75 3.314 -11.709 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.179 -12.662 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.340 -11.097 2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.403 -12.610 2.507 1.00 0.00 H new ATOM 1187 N GLU A 76 1.306 -14.205 -0.186 1.00 0.00 N ATOM 1188 CA GLU A 76 1.171 -15.610 -0.604 1.00 0.00 C ATOM 1189 C GLU A 76 1.264 -16.543 0.607 1.00 0.00 C ATOM 1190 O GLU A 76 0.482 -17.483 0.742 1.00 0.00 O ATOM 1191 CB GLU A 76 2.223 -15.965 -1.671 1.00 0.00 C ATOM 1192 CG GLU A 76 2.080 -17.358 -2.272 1.00 0.00 C ATOM 1193 CD GLU A 76 2.843 -18.417 -1.503 1.00 0.00 C ATOM 1194 OE1 GLU A 76 4.089 -18.423 -1.578 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.209 -19.251 -0.830 1.00 0.00 O ATOM 0 H GLU A 76 0.429 -13.684 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 76 0.187 -15.745 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.167 -15.231 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.214 -15.876 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.024 -17.628 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.433 -17.341 -3.303 1.00 0.00 H new ATOM 1202 N HIS A 77 2.211 -16.261 1.483 1.00 0.00 N ATOM 1203 CA HIS A 77 2.407 -17.037 2.697 1.00 0.00 C ATOM 1204 C HIS A 77 2.491 -16.116 3.912 1.00 0.00 C ATOM 1205 O HIS A 77 3.377 -15.267 3.998 1.00 0.00 O ATOM 1206 CB HIS A 77 3.667 -17.913 2.587 1.00 0.00 C ATOM 1207 CG HIS A 77 4.838 -17.243 1.926 1.00 0.00 C ATOM 1208 ND1 HIS A 77 5.230 -17.525 0.637 1.00 0.00 N ATOM 1209 CD2 HIS A 77 5.708 -16.311 2.380 1.00 0.00 C ATOM 1210 CE1 HIS A 77 6.289 -16.803 0.332 1.00 0.00 C ATOM 1211 NE2 HIS A 77 6.599 -16.054 1.371 1.00 0.00 N ATOM 0 H HIS A 77 2.867 -15.488 1.374 1.00 0.00 H new ATOM 0 HA HIS A 77 1.548 -17.696 2.826 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.963 -18.229 3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.419 -18.816 2.029 1.00 0.00 H new ATOM 0 HD1 HIS A 77 4.771 -18.190 0.014 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.701 -15.854 3.358 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.815 -16.822 -0.611 1.00 0.00 H new ATOM 1220 N GLY A 78 1.554 -16.285 4.838 1.00 0.00 N ATOM 1221 CA GLY A 78 1.526 -15.469 6.041 1.00 0.00 C ATOM 1222 C GLY A 78 2.619 -15.847 7.020 1.00 0.00 C ATOM 1223 O GLY A 78 2.859 -15.148 8.007 1.00 0.00 O ATOM 0 H GLY A 78 0.807 -16.977 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.634 -14.419 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.555 -15.574 6.526 1.00 0.00 H new ATOM 1227 N LYS A 79 3.270 -16.971 6.749 1.00 0.00 N ATOM 1228 CA LYS A 79 4.407 -17.423 7.542 1.00 0.00 C ATOM 1229 C LYS A 79 5.552 -16.425 7.459 1.00 0.00 C ATOM 1230 O LYS A 79 5.859 -15.718 8.418 1.00 0.00 O ATOM 1231 CB LYS A 79 4.896 -18.782 7.034 1.00 0.00 C ATOM 1232 CG LYS A 79 3.960 -19.941 7.327 1.00 0.00 C ATOM 1233 CD LYS A 79 4.367 -21.210 6.579 1.00 0.00 C ATOM 1234 CE LYS A 79 5.759 -21.714 6.959 1.00 0.00 C ATOM 1235 NZ LYS A 79 6.853 -20.941 6.299 1.00 0.00 N ATOM 0 H LYS A 79 3.027 -17.592 5.978 1.00 0.00 H new ATOM 0 HA LYS A 79 4.081 -17.510 8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.048 -18.719 5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.867 -18.994 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.953 -20.139 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.943 -19.665 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.637 -21.993 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.338 -21.017 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.879 -21.654 8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.847 -22.766 6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.522 -21.599 5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.447 -20.314 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.353 -20.370 7.010 1.00 0.00 H new ATOM 1249 N ASP A 80 6.162 -16.366 6.286 1.00 0.00 N ATOM 1250 CA ASP A 80 7.340 -15.546 6.059 1.00 0.00 C ATOM 1251 C ASP A 80 6.939 -14.120 5.715 1.00 0.00 C ATOM 1252 O ASP A 80 7.267 -13.613 4.643 1.00 0.00 O ATOM 1253 CB ASP A 80 8.173 -16.131 4.919 1.00 0.00 C ATOM 1254 CG ASP A 80 8.536 -17.585 5.138 1.00 0.00 C ATOM 1255 OD1 ASP A 80 7.660 -18.458 4.948 1.00 0.00 O ATOM 1256 OD2 ASP A 80 9.697 -17.862 5.494 1.00 0.00 O ATOM 0 H ASP A 80 5.854 -16.886 5.464 1.00 0.00 H new ATOM 0 HA ASP A 80 7.933 -15.536 6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.618 -16.037 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.086 -15.547 4.807 1.00 0.00 H new ATOM 1261 N ALA A 81 6.237 -13.476 6.631 1.00 0.00 N ATOM 1262 CA ALA A 81 5.773 -12.113 6.427 1.00 0.00 C ATOM 1263 C ALA A 81 6.941 -11.130 6.366 1.00 0.00 C ATOM 1264 O ALA A 81 6.828 -10.055 5.785 1.00 0.00 O ATOM 1265 CB ALA A 81 4.798 -11.727 7.526 1.00 0.00 C ATOM 0 H ALA A 81 5.974 -13.878 7.531 1.00 0.00 H new ATOM 0 HA ALA A 81 5.258 -12.067 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.455 -10.705 7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.943 -12.403 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.295 -11.796 8.494 1.00 0.00 H new ATOM 1271 N LEU A 82 8.070 -11.518 6.956 1.00 0.00 N ATOM 1272 CA LEU A 82 9.272 -10.685 6.944 1.00 0.00 C ATOM 1273 C LEU A 82 10.100 -10.972 5.693 1.00 0.00 C ATOM 1274 O LEU A 82 11.087 -10.293 5.406 1.00 0.00 O ATOM 1275 CB LEU A 82 10.108 -10.942 8.205 1.00 0.00 C ATOM 1276 CG LEU A 82 11.354 -10.065 8.360 1.00 0.00 C ATOM 1277 CD1 LEU A 82 10.966 -8.605 8.542 1.00 0.00 C ATOM 1278 CD2 LEU A 82 12.201 -10.552 9.527 1.00 0.00 C ATOM 0 H LEU A 82 8.178 -12.404 7.449 1.00 0.00 H new ATOM 0 HA LEU A 82 8.972 -9.637 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.471 -10.796 9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.418 -11.987 8.208 1.00 0.00 H new ATOM 0 HG LEU A 82 11.948 -10.143 7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.866 -8.000 8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.404 -8.267 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.349 -8.501 9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.083 -9.919 9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.616 -10.505 10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.511 -11.581 9.347 1.00 0.00 H new ATOM 1290 N LYS A 83 9.682 -11.982 4.949 1.00 0.00 N ATOM 1291 CA LYS A 83 10.374 -12.383 3.735 1.00 0.00 C ATOM 1292 C LYS A 83 9.644 -11.817 2.519 1.00 0.00 C ATOM 1293 O LYS A 83 10.042 -12.021 1.373 1.00 0.00 O ATOM 1294 CB LYS A 83 10.453 -13.913 3.684 1.00 0.00 C ATOM 1295 CG LYS A 83 11.278 -14.482 2.542 1.00 0.00 C ATOM 1296 CD LYS A 83 11.397 -15.994 2.667 1.00 0.00 C ATOM 1297 CE LYS A 83 12.206 -16.388 3.897 1.00 0.00 C ATOM 1298 NZ LYS A 83 12.046 -17.827 4.234 1.00 0.00 N ATOM 0 H LYS A 83 8.859 -12.544 5.167 1.00 0.00 H new ATOM 0 HA LYS A 83 11.390 -11.987 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.870 -14.271 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.441 -14.311 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.815 -14.226 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.271 -14.032 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.402 -16.435 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.871 -16.398 1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.260 -16.172 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.893 -15.780 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.613 -18.051 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.044 -18.029 4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.369 -18.409 3.435 1.00 0.00 H new ATOM 1312 N VAL A 84 8.564 -11.094 2.784 1.00 0.00 N ATOM 1313 CA VAL A 84 7.799 -10.446 1.730 1.00 0.00 C ATOM 1314 C VAL A 84 8.452 -9.121 1.365 1.00 0.00 C ATOM 1315 O VAL A 84 8.634 -8.267 2.224 1.00 0.00 O ATOM 1316 CB VAL A 84 6.340 -10.199 2.164 1.00 0.00 C ATOM 1317 CG1 VAL A 84 5.525 -9.615 1.017 1.00 0.00 C ATOM 1318 CG2 VAL A 84 5.714 -11.486 2.677 1.00 0.00 C ATOM 0 H VAL A 84 8.198 -10.942 3.724 1.00 0.00 H new ATOM 0 HA VAL A 84 7.789 -11.108 0.864 1.00 0.00 H new ATOM 0 HB VAL A 84 6.341 -9.472 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.499 -9.449 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.963 -8.667 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.528 -10.310 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.684 -11.295 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.727 -12.237 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.282 -11.851 3.533 1.00 0.00 H new ATOM 1328 N THR A 85 8.792 -8.959 0.094 1.00 0.00 N ATOM 1329 CA THR A 85 9.541 -7.798 -0.380 1.00 0.00 C ATOM 1330 C THR A 85 8.932 -6.465 0.071 1.00 0.00 C ATOM 1331 O THR A 85 9.645 -5.589 0.550 1.00 0.00 O ATOM 1332 CB THR A 85 9.648 -7.823 -1.916 1.00 0.00 C ATOM 1333 OG1 THR A 85 8.376 -8.179 -2.482 1.00 0.00 O ATOM 1334 CG2 THR A 85 10.714 -8.812 -2.367 1.00 0.00 C ATOM 0 H THR A 85 8.557 -9.628 -0.640 1.00 0.00 H new ATOM 0 HA THR A 85 10.533 -7.867 0.067 1.00 0.00 H new ATOM 0 HB THR A 85 9.935 -6.830 -2.262 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.445 -8.193 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.772 -8.813 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.679 -8.521 -1.952 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.455 -9.811 -2.017 1.00 0.00 H new ATOM 1342 N ALA A 86 7.615 -6.331 -0.061 1.00 0.00 N ATOM 1343 CA ALA A 86 6.922 -5.093 0.302 1.00 0.00 C ATOM 1344 C ALA A 86 7.064 -4.777 1.793 1.00 0.00 C ATOM 1345 O ALA A 86 7.223 -3.621 2.183 1.00 0.00 O ATOM 1346 CB ALA A 86 5.450 -5.189 -0.076 1.00 0.00 C ATOM 0 H ALA A 86 7.003 -7.065 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 86 7.387 -4.278 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.943 -4.264 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.360 -5.348 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.992 -6.024 0.454 1.00 0.00 H new ATOM 1352 N LEU A 87 7.041 -5.813 2.615 1.00 0.00 N ATOM 1353 CA LEU A 87 7.059 -5.638 4.059 1.00 0.00 C ATOM 1354 C LEU A 87 8.498 -5.554 4.534 1.00 0.00 C ATOM 1355 O LEU A 87 8.833 -4.750 5.401 1.00 0.00 O ATOM 1356 CB LEU A 87 6.310 -6.793 4.744 1.00 0.00 C ATOM 1357 CG LEU A 87 6.012 -6.622 6.244 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.253 -6.872 7.088 1.00 0.00 C ATOM 1359 CD2 LEU A 87 5.454 -5.233 6.528 1.00 0.00 C ATOM 0 H LEU A 87 7.010 -6.785 2.307 1.00 0.00 H new ATOM 0 HA LEU A 87 6.550 -4.712 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.364 -6.943 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.894 -7.704 4.614 1.00 0.00 H new ATOM 0 HG LEU A 87 5.262 -7.364 6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.008 -6.743 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.609 -7.889 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.033 -6.164 6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.250 -5.134 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.182 -4.480 6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.530 -5.090 5.967 1.00 0.00 H new ATOM 1371 N LYS A 88 9.344 -6.385 3.944 1.00 0.00 N ATOM 1372 CA LYS A 88 10.768 -6.362 4.225 1.00 0.00 C ATOM 1373 C LYS A 88 11.327 -4.981 3.913 1.00 0.00 C ATOM 1374 O LYS A 88 12.184 -4.475 4.634 1.00 0.00 O ATOM 1375 CB LYS A 88 11.493 -7.432 3.403 1.00 0.00 C ATOM 1376 CG LYS A 88 12.993 -7.479 3.640 1.00 0.00 C ATOM 1377 CD LYS A 88 13.656 -8.545 2.781 1.00 0.00 C ATOM 1378 CE LYS A 88 15.164 -8.565 2.976 1.00 0.00 C ATOM 1379 NZ LYS A 88 15.542 -8.928 4.366 1.00 0.00 N ATOM 0 H LYS A 88 9.063 -7.089 3.262 1.00 0.00 H new ATOM 0 HA LYS A 88 10.927 -6.580 5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.067 -8.407 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.308 -7.250 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.429 -6.506 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.191 -7.682 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.244 -9.523 3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.427 -8.361 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.610 -9.277 2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.574 -7.584 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.570 -9.079 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.272 -8.159 5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.049 -9.801 4.643 1.00 0.00 H new ATOM 1393 N LYS A 89 10.815 -4.363 2.852 1.00 0.00 N ATOM 1394 CA LYS A 89 11.214 -3.005 2.506 1.00 0.00 C ATOM 1395 C LYS A 89 10.772 -2.029 3.582 1.00 0.00 C ATOM 1396 O LYS A 89 11.575 -1.247 4.069 1.00 0.00 O ATOM 1397 CB LYS A 89 10.648 -2.578 1.150 1.00 0.00 C ATOM 1398 CG LYS A 89 11.450 -3.084 -0.038 1.00 0.00 C ATOM 1399 CD LYS A 89 10.903 -2.531 -1.344 1.00 0.00 C ATOM 1400 CE LYS A 89 11.826 -2.833 -2.515 1.00 0.00 C ATOM 1401 NZ LYS A 89 11.964 -4.293 -2.770 1.00 0.00 N ATOM 0 H LYS A 89 10.128 -4.778 2.222 1.00 0.00 H new ATOM 0 HA LYS A 89 12.302 -2.993 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.623 -2.939 1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.606 -1.489 1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.495 -2.793 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.423 -4.173 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.919 -2.959 -1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.769 -1.453 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.442 -2.346 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.810 -2.407 -2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.589 -4.445 -3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.371 -4.755 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.028 -4.701 -2.969 1.00 0.00 H new ATOM 1415 N TYR A 90 9.505 -2.096 3.968 1.00 0.00 N ATOM 1416 CA TYR A 90 8.976 -1.185 4.975 1.00 0.00 C ATOM 1417 C TYR A 90 9.716 -1.358 6.301 1.00 0.00 C ATOM 1418 O TYR A 90 10.106 -0.383 6.939 1.00 0.00 O ATOM 1419 CB TYR A 90 7.477 -1.422 5.179 1.00 0.00 C ATOM 1420 CG TYR A 90 6.798 -0.323 5.965 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.452 0.873 5.353 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.507 -0.479 7.315 1.00 0.00 C ATOM 1423 CE1 TYR A 90 5.839 1.886 6.063 1.00 0.00 C ATOM 1424 CE2 TYR A 90 5.890 0.528 8.032 1.00 0.00 C ATOM 1425 CZ TYR A 90 5.559 1.708 7.401 1.00 0.00 C ATOM 1426 OH TYR A 90 4.949 2.717 8.112 1.00 0.00 O ATOM 0 H TYR A 90 8.828 -2.766 3.603 1.00 0.00 H new ATOM 0 HA TYR A 90 9.126 -0.165 4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.995 -1.514 4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.334 -2.371 5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.666 1.014 4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.767 -1.402 7.812 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.580 2.813 5.573 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.668 0.392 9.080 1.00 0.00 H new ATOM 0 HH TYR A 90 4.821 2.432 9.041 1.00 0.00 H new ATOM 1436 N ARG A 91 9.923 -2.608 6.696 1.00 0.00 N ATOM 1437 CA ARG A 91 10.582 -2.922 7.959 1.00 0.00 C ATOM 1438 C ARG A 91 12.046 -2.478 7.945 1.00 0.00 C ATOM 1439 O ARG A 91 12.560 -1.978 8.949 1.00 0.00 O ATOM 1440 CB ARG A 91 10.493 -4.426 8.236 1.00 0.00 C ATOM 1441 CG ARG A 91 11.158 -4.855 9.537 1.00 0.00 C ATOM 1442 CD ARG A 91 10.437 -4.294 10.752 1.00 0.00 C ATOM 1443 NE ARG A 91 9.140 -4.934 10.971 1.00 0.00 N ATOM 1444 CZ ARG A 91 8.561 -5.048 12.167 1.00 0.00 C ATOM 1445 NH1 ARG A 91 9.178 -4.611 13.255 1.00 0.00 N ATOM 1446 NH2 ARG A 91 7.374 -5.623 12.276 1.00 0.00 N ATOM 0 H ARG A 91 9.642 -3.426 6.156 1.00 0.00 H new ATOM 0 HA ARG A 91 10.071 -2.377 8.753 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.443 -4.719 8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.954 -4.966 7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.175 -5.943 9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.195 -4.519 9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.060 -4.429 11.636 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.293 -3.221 10.624 1.00 0.00 H new ATOM 0 HE ARG A 91 8.650 -5.315 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.101 -4.184 13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.729 -4.701 14.167 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.902 -5.979 11.445 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.932 -5.710 13.191 1.00 0.00 H new ATOM 1460 N GLN A 92 12.707 -2.657 6.809 1.00 0.00 N ATOM 1461 CA GLN A 92 14.123 -2.333 6.698 1.00 0.00 C ATOM 1462 C GLN A 92 14.327 -0.838 6.479 1.00 0.00 C ATOM 1463 O GLN A 92 15.305 -0.263 6.952 1.00 0.00 O ATOM 1464 CB GLN A 92 14.762 -3.112 5.547 1.00 0.00 C ATOM 1465 CG GLN A 92 16.281 -3.063 5.545 1.00 0.00 C ATOM 1466 CD GLN A 92 16.889 -3.823 6.710 1.00 0.00 C ATOM 1467 OE1 GLN A 92 16.327 -4.815 7.183 1.00 0.00 O ATOM 1468 NE2 GLN A 92 18.032 -3.361 7.188 1.00 0.00 N ATOM 0 H GLN A 92 12.287 -3.023 5.954 1.00 0.00 H new ATOM 0 HA GLN A 92 14.603 -2.617 7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.441 -4.152 5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.393 -2.714 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.653 -3.480 4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.608 -2.024 5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.465 -2.538 6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.481 -3.828 7.976 1.00 0.00 H new ATOM 1477 N LEU A 93 13.396 -0.213 5.762 1.00 0.00 N ATOM 1478 CA LEU A 93 13.494 1.208 5.438 1.00 0.00 C ATOM 1479 C LEU A 93 13.438 2.070 6.697 1.00 0.00 C ATOM 1480 O LEU A 93 13.976 3.180 6.727 1.00 0.00 O ATOM 1481 CB LEU A 93 12.376 1.604 4.469 1.00 0.00 C ATOM 1482 CG LEU A 93 12.367 3.072 4.042 1.00 0.00 C ATOM 1483 CD1 LEU A 93 13.626 3.403 3.259 1.00 0.00 C ATOM 1484 CD2 LEU A 93 11.127 3.381 3.218 1.00 0.00 C ATOM 0 H LEU A 93 12.562 -0.670 5.393 1.00 0.00 H new ATOM 0 HA LEU A 93 14.458 1.381 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.456 0.984 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.417 1.372 4.933 1.00 0.00 H new ATOM 0 HG LEU A 93 12.345 3.693 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.605 4.452 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.501 3.220 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.677 2.775 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.138 4.430 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.117 2.754 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.236 3.181 3.813 1.00 0.00 H new ATOM 1496 N LEU A 94 12.775 1.565 7.730 1.00 0.00 N ATOM 1497 CA LEU A 94 12.748 2.248 9.016 1.00 0.00 C ATOM 1498 C LEU A 94 14.147 2.296 9.616 1.00 0.00 C ATOM 1499 O LEU A 94 14.541 3.308 10.196 1.00 0.00 O ATOM 1500 CB LEU A 94 11.775 1.566 9.986 1.00 0.00 C ATOM 1501 CG LEU A 94 10.363 2.158 10.024 1.00 0.00 C ATOM 1502 CD1 LEU A 94 9.721 2.139 8.645 1.00 0.00 C ATOM 1503 CD2 LEU A 94 9.503 1.398 11.020 1.00 0.00 C ATOM 0 H LEU A 94 12.252 0.690 7.703 1.00 0.00 H new ATOM 0 HA LEU A 94 12.398 3.267 8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.702 0.512 9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.197 1.612 10.990 1.00 0.00 H new ATOM 0 HG LEU A 94 10.439 3.197 10.343 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.720 2.565 8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.326 2.727 7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.657 1.111 8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.501 1.828 11.038 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.443 0.351 10.724 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.947 1.470 12.013 1.00 0.00 H new ATOM 1515 N GLU A 95 14.884 1.188 9.461 1.00 0.00 N ATOM 1516 CA GLU A 95 16.287 1.071 9.885 1.00 0.00 C ATOM 1517 C GLU A 95 16.440 1.040 11.411 1.00 0.00 C ATOM 1518 O GLU A 95 17.187 0.218 11.946 1.00 0.00 O ATOM 1519 CB GLU A 95 17.129 2.208 9.291 1.00 0.00 C ATOM 1520 CG GLU A 95 18.608 2.128 9.644 1.00 0.00 C ATOM 1521 CD GLU A 95 19.289 0.909 9.060 1.00 0.00 C ATOM 1522 OE1 GLU A 95 19.218 -0.176 9.676 1.00 0.00 O ATOM 1523 OE2 GLU A 95 19.923 1.033 7.991 1.00 0.00 O ATOM 0 H GLU A 95 14.519 0.337 9.033 1.00 0.00 H new ATOM 0 HA GLU A 95 16.651 0.117 9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 95 17.023 2.197 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.733 3.161 9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 95 19.111 3.026 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 95 18.717 2.114 10.728 1.00 0.00 H new ATOM 1530 N HIS A 96 15.736 1.940 12.094 1.00 0.00 N ATOM 1531 CA HIS A 96 15.821 2.081 13.547 1.00 0.00 C ATOM 1532 C HIS A 96 15.709 0.739 14.256 1.00 0.00 C ATOM 1533 O HIS A 96 14.661 0.090 14.224 1.00 0.00 O ATOM 1534 CB HIS A 96 14.731 3.027 14.069 1.00 0.00 C ATOM 1535 CG HIS A 96 15.005 4.474 13.799 1.00 0.00 C ATOM 1536 ND1 HIS A 96 15.419 5.359 14.772 1.00 0.00 N ATOM 1537 CD2 HIS A 96 14.923 5.192 12.656 1.00 0.00 C ATOM 1538 CE1 HIS A 96 15.578 6.556 14.236 1.00 0.00 C ATOM 1539 NE2 HIS A 96 15.283 6.479 12.954 1.00 0.00 N ATOM 0 H HIS A 96 15.088 2.594 11.655 1.00 0.00 H new ATOM 0 HA HIS A 96 16.802 2.503 13.766 1.00 0.00 H new ATOM 0 HB2 HIS A 96 13.779 2.756 13.612 1.00 0.00 H new ATOM 0 HB3 HIS A 96 14.622 2.882 15.144 1.00 0.00 H new ATOM 0 HD2 HIS A 96 14.628 4.819 11.686 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.896 7.446 14.759 1.00 0.00 H new ATOM 0 HE2 HIS A 96 15.317 7.253 12.291 1.00 0.00 H new ATOM 1548 N HIS A 97 16.810 0.331 14.876 1.00 0.00 N ATOM 1549 CA HIS A 97 16.848 -0.889 15.667 1.00 0.00 C ATOM 1550 C HIS A 97 15.823 -0.785 16.788 1.00 0.00 C ATOM 1551 O HIS A 97 15.810 0.204 17.526 1.00 0.00 O ATOM 1552 CB HIS A 97 18.263 -1.085 16.231 1.00 0.00 C ATOM 1553 CG HIS A 97 18.479 -2.391 16.937 1.00 0.00 C ATOM 1554 ND1 HIS A 97 19.342 -2.534 17.997 1.00 0.00 N ATOM 1555 CD2 HIS A 97 17.962 -3.618 16.711 1.00 0.00 C ATOM 1556 CE1 HIS A 97 19.346 -3.793 18.393 1.00 0.00 C ATOM 1557 NE2 HIS A 97 18.516 -4.474 17.628 1.00 0.00 N ATOM 0 H HIS A 97 17.696 0.835 14.844 1.00 0.00 H new ATOM 0 HA HIS A 97 16.602 -1.752 15.048 1.00 0.00 H new ATOM 0 HB2 HIS A 97 18.980 -1.006 15.414 1.00 0.00 H new ATOM 0 HB3 HIS A 97 18.479 -0.272 16.924 1.00 0.00 H new ATOM 0 HD2 HIS A 97 17.244 -3.878 15.948 1.00 0.00 H new ATOM 0 HE1 HIS A 97 19.930 -4.197 19.206 1.00 0.00 H new ATOM 0 HE2 HIS A 97 18.319 -5.472 17.705 1.00 0.00 H new ATOM 1566 N HIS A 98 14.954 -1.786 16.900 1.00 0.00 N ATOM 1567 CA HIS A 98 13.863 -1.741 17.863 1.00 0.00 C ATOM 1568 C HIS A 98 14.360 -1.829 19.294 1.00 0.00 C ATOM 1569 O HIS A 98 14.484 -2.910 19.872 1.00 0.00 O ATOM 1570 CB HIS A 98 12.826 -2.824 17.579 1.00 0.00 C ATOM 1571 CG HIS A 98 11.655 -2.313 16.796 1.00 0.00 C ATOM 1572 ND1 HIS A 98 10.349 -2.528 17.170 1.00 0.00 N ATOM 1573 CD2 HIS A 98 11.602 -1.573 15.664 1.00 0.00 C ATOM 1574 CE1 HIS A 98 9.542 -1.945 16.305 1.00 0.00 C ATOM 1575 NE2 HIS A 98 10.275 -1.350 15.378 1.00 0.00 N ATOM 0 H HIS A 98 14.986 -2.635 16.336 1.00 0.00 H new ATOM 0 HA HIS A 98 13.380 -0.771 17.747 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.298 -3.638 17.029 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.473 -3.240 18.523 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.447 -1.222 15.090 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.463 -1.952 16.346 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.917 -0.817 14.586 1.00 0.00 H new ATOM 1584 N HIS A 99 14.676 -0.665 19.826 1.00 0.00 N ATOM 1585 CA HIS A 99 15.093 -0.494 21.204 1.00 0.00 C ATOM 1586 C HIS A 99 15.150 1.005 21.460 1.00 0.00 C ATOM 1587 O HIS A 99 16.027 1.505 22.160 1.00 0.00 O ATOM 1588 CB HIS A 99 16.463 -1.143 21.449 1.00 0.00 C ATOM 1589 CG HIS A 99 16.702 -1.533 22.875 1.00 0.00 C ATOM 1590 ND1 HIS A 99 17.784 -2.282 23.277 1.00 0.00 N ATOM 1591 CD2 HIS A 99 15.980 -1.293 23.996 1.00 0.00 C ATOM 1592 CE1 HIS A 99 17.717 -2.486 24.578 1.00 0.00 C ATOM 1593 NE2 HIS A 99 16.632 -1.897 25.040 1.00 0.00 N ATOM 0 H HIS A 99 14.649 0.209 19.300 1.00 0.00 H new ATOM 0 HA HIS A 99 14.392 -0.979 21.884 1.00 0.00 H new ATOM 0 HB2 HIS A 99 16.552 -2.029 20.820 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.244 -0.450 21.136 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.060 -0.730 24.056 1.00 0.00 H new ATOM 0 HE1 HIS A 99 18.431 -3.042 25.167 1.00 0.00 H new ATOM 0 HE2 HIS A 99 16.328 -1.891 26.014 1.00 0.00 H new ATOM 1602 N HIS A 100 14.175 1.697 20.865 1.00 0.00 N ATOM 1603 CA HIS A 100 14.114 3.159 20.843 1.00 0.00 C ATOM 1604 C HIS A 100 14.252 3.747 22.244 1.00 0.00 C ATOM 1605 O HIS A 100 14.929 4.752 22.445 1.00 0.00 O ATOM 1606 CB HIS A 100 12.780 3.594 20.224 1.00 0.00 C ATOM 1607 CG HIS A 100 12.730 5.024 19.765 1.00 0.00 C ATOM 1608 ND1 HIS A 100 12.319 5.386 18.501 1.00 0.00 N ATOM 1609 CD2 HIS A 100 13.006 6.182 20.413 1.00 0.00 C ATOM 1610 CE1 HIS A 100 12.343 6.702 18.391 1.00 0.00 C ATOM 1611 NE2 HIS A 100 12.756 7.207 19.537 1.00 0.00 N ATOM 0 H HIS A 100 13.397 1.251 20.379 1.00 0.00 H new ATOM 0 HA HIS A 100 14.946 3.531 20.245 1.00 0.00 H new ATOM 0 HB2 HIS A 100 12.563 2.947 19.374 1.00 0.00 H new ATOM 0 HB3 HIS A 100 11.988 3.435 20.956 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.357 6.279 21.430 1.00 0.00 H new ATOM 0 HE1 HIS A 100 12.071 7.268 17.512 1.00 0.00 H new ATOM 0 HE2 HIS A 100 12.871 8.200 19.739 1.00 0.00 H new ATOM 1620 N HIS A 101 13.602 3.115 23.206 1.00 0.00 N ATOM 1621 CA HIS A 101 13.644 3.579 24.578 1.00 0.00 C ATOM 1622 C HIS A 101 14.121 2.451 25.481 1.00 0.00 C ATOM 1623 O HIS A 101 15.331 2.405 25.786 1.00 0.00 O ATOM 1624 CB HIS A 101 12.262 4.074 25.013 1.00 0.00 C ATOM 1625 CG HIS A 101 12.277 4.843 26.297 1.00 0.00 C ATOM 1626 ND1 HIS A 101 11.840 4.321 27.491 1.00 0.00 N ATOM 1627 CD2 HIS A 101 12.668 6.111 26.563 1.00 0.00 C ATOM 1628 CE1 HIS A 101 11.959 5.232 28.437 1.00 0.00 C ATOM 1629 NE2 HIS A 101 12.461 6.328 27.903 1.00 0.00 N ATOM 1630 OXT HIS A 101 13.292 1.596 25.852 1.00 0.00 O ATOM 0 H HIS A 101 13.038 2.278 23.060 1.00 0.00 H new ATOM 0 HA HIS A 101 14.342 4.413 24.656 1.00 0.00 H new ATOM 0 HB2 HIS A 101 11.847 4.705 24.227 1.00 0.00 H new ATOM 0 HB3 HIS A 101 11.596 3.218 25.120 1.00 0.00 H new ATOM 0 HD2 HIS A 101 13.068 6.820 25.854 1.00 0.00 H new ATOM 0 HE1 HIS A 101 11.690 5.102 29.475 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.662 7.194 28.403 1.00 0.00 H new TER 1639 HIS A 101