USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=20 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.0253 (180deg=-0.152) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 17:sc= 0.437 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -158:sc= -0.195 (180deg=-1.36) USER MOD Single : A 22 THR OG1 : rot -91:sc= 0.999 USER MOD Single : A 30 ASN : amide:sc= -0.873 K(o=-0.87,f=-0.0059) USER MOD Single : A 31 THR OG1 : rot 137:sc= -2.41! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 1.06 (180deg=0.61) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -70:sc= 1.31 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=-0.27) 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= 1.06 K(o=1.1,f=-0.16) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.71) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -153:sc= 1.19 (180deg=0.609) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 88 LYS NZ :NH3+ 146:sc= 1.15 (180deg=0.171) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.833! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.024) USER MOD Single : A 97 HIS : no HD1:sc= -0.73 K(o=-0.73,f=-0.14) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 99 HIS : no HD1:sc= -0.0898 X(o=-0.09,f=-0.018) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.641 17.923 -18.678 1.00 0.00 N ATOM 2 CA MET A 1 20.630 17.092 -17.992 1.00 0.00 C ATOM 3 C MET A 1 21.317 16.041 -17.130 1.00 0.00 C ATOM 4 O MET A 1 22.281 15.407 -17.559 1.00 0.00 O ATOM 5 CB MET A 1 19.698 16.433 -19.013 1.00 0.00 C ATOM 6 CG MET A 1 20.405 15.546 -20.025 1.00 0.00 C ATOM 7 SD MET A 1 19.273 14.842 -21.239 1.00 0.00 S ATOM 8 CE MET A 1 20.407 13.891 -22.249 1.00 0.00 C ATOM 0 H1 MET A 1 21.306 18.158 -19.634 1.00 0.00 H new ATOM 0 H2 MET A 1 21.794 18.799 -18.139 1.00 0.00 H new ATOM 0 H3 MET A 1 22.536 17.397 -18.744 1.00 0.00 H new ATOM 0 HA MET A 1 20.027 17.730 -17.346 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.958 15.837 -18.480 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.155 17.212 -19.547 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.170 16.127 -20.541 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.917 14.739 -19.501 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.855 13.395 -23.047 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.153 14.556 -22.684 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.904 13.143 -21.632 1.00 0.00 H new ATOM 20 N MET A 2 20.832 15.868 -15.907 1.00 0.00 N ATOM 21 CA MET A 2 21.465 14.951 -14.966 1.00 0.00 C ATOM 22 C MET A 2 20.845 13.555 -15.050 1.00 0.00 C ATOM 23 O MET A 2 21.412 12.655 -15.671 1.00 0.00 O ATOM 24 CB MET A 2 21.346 15.499 -13.538 1.00 0.00 C ATOM 25 CG MET A 2 22.451 15.037 -12.593 1.00 0.00 C ATOM 26 SD MET A 2 22.524 13.245 -12.382 1.00 0.00 S ATOM 27 CE MET A 2 23.832 13.103 -11.167 1.00 0.00 C ATOM 0 H MET A 2 20.008 16.347 -15.544 1.00 0.00 H new ATOM 0 HA MET A 2 22.519 14.867 -15.231 1.00 0.00 H new ATOM 0 HB2 MET A 2 21.350 16.588 -13.578 1.00 0.00 H new ATOM 0 HB3 MET A 2 20.383 15.199 -13.126 1.00 0.00 H new ATOM 0 HG2 MET A 2 23.411 15.389 -12.971 1.00 0.00 H new ATOM 0 HG3 MET A 2 22.302 15.503 -11.619 1.00 0.00 H new ATOM 0 HE1 MET A 2 23.997 12.052 -10.931 1.00 0.00 H new ATOM 0 HE2 MET A 2 24.750 13.533 -11.568 1.00 0.00 H new ATOM 0 HE3 MET A 2 23.547 13.638 -10.261 1.00 0.00 H new ATOM 37 N PHE A 3 19.671 13.388 -14.446 1.00 0.00 N ATOM 38 CA PHE A 3 19.040 12.073 -14.346 1.00 0.00 C ATOM 39 C PHE A 3 18.118 11.784 -15.528 1.00 0.00 C ATOM 40 O PHE A 3 17.668 10.653 -15.696 1.00 0.00 O ATOM 41 CB PHE A 3 18.231 11.957 -13.050 1.00 0.00 C ATOM 42 CG PHE A 3 19.056 11.949 -11.791 1.00 0.00 C ATOM 43 CD1 PHE A 3 19.720 10.800 -11.392 1.00 0.00 C ATOM 44 CD2 PHE A 3 19.155 13.083 -11.001 1.00 0.00 C ATOM 45 CE1 PHE A 3 20.468 10.782 -10.230 1.00 0.00 C ATOM 46 CE2 PHE A 3 19.902 13.071 -9.838 1.00 0.00 C ATOM 47 CZ PHE A 3 20.559 11.920 -9.453 1.00 0.00 C ATOM 0 H PHE A 3 19.137 14.145 -14.019 1.00 0.00 H new ATOM 0 HA PHE A 3 19.848 11.341 -14.350 1.00 0.00 H new ATOM 0 HB2 PHE A 3 17.527 12.788 -13.002 1.00 0.00 H new ATOM 0 HB3 PHE A 3 17.641 11.041 -13.087 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.652 9.908 -11.997 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.643 13.986 -11.297 1.00 0.00 H new ATOM 0 HE1 PHE A 3 20.980 9.880 -9.930 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.971 13.962 -9.231 1.00 0.00 H new ATOM 0 HZ PHE A 3 21.144 11.909 -8.545 1.00 0.00 H new ATOM 57 N LEU A 4 17.832 12.814 -16.333 1.00 0.00 N ATOM 58 CA LEU A 4 16.876 12.701 -17.446 1.00 0.00 C ATOM 59 C LEU A 4 15.462 12.470 -16.912 1.00 0.00 C ATOM 60 O LEU A 4 14.555 12.078 -17.647 1.00 0.00 O ATOM 61 CB LEU A 4 17.261 11.578 -18.427 1.00 0.00 C ATOM 62 CG LEU A 4 18.425 11.883 -19.381 1.00 0.00 C ATOM 63 CD1 LEU A 4 19.745 11.981 -18.635 1.00 0.00 C ATOM 64 CD2 LEU A 4 18.509 10.820 -20.463 1.00 0.00 C ATOM 0 H LEU A 4 18.250 13.739 -16.235 1.00 0.00 H new ATOM 0 HA LEU A 4 16.905 13.642 -17.995 1.00 0.00 H new ATOM 0 HB2 LEU A 4 17.515 10.690 -17.849 1.00 0.00 H new ATOM 0 HB3 LEU A 4 16.384 11.329 -19.025 1.00 0.00 H new ATOM 0 HG LEU A 4 18.232 12.850 -19.845 1.00 0.00 H new ATOM 0 HD11 LEU A 4 20.547 12.198 -19.341 1.00 0.00 H new ATOM 0 HD12 LEU A 4 19.687 12.780 -17.896 1.00 0.00 H new ATOM 0 HD13 LEU A 4 19.950 11.036 -18.132 1.00 0.00 H new ATOM 0 HD21 LEU A 4 19.338 11.048 -21.133 1.00 0.00 H new ATOM 0 HD22 LEU A 4 18.671 9.845 -20.003 1.00 0.00 H new ATOM 0 HD23 LEU A 4 17.578 10.804 -21.030 1.00 0.00 H new ATOM 76 N ARG A 5 15.298 12.738 -15.626 1.00 0.00 N ATOM 77 CA ARG A 5 14.032 12.568 -14.927 1.00 0.00 C ATOM 78 C ARG A 5 14.148 13.226 -13.560 1.00 0.00 C ATOM 79 O ARG A 5 15.032 12.877 -12.778 1.00 0.00 O ATOM 80 CB ARG A 5 13.699 11.077 -14.788 1.00 0.00 C ATOM 81 CG ARG A 5 12.403 10.793 -14.045 1.00 0.00 C ATOM 82 CD ARG A 5 12.051 9.312 -14.092 1.00 0.00 C ATOM 83 NE ARG A 5 11.738 8.871 -15.449 1.00 0.00 N ATOM 84 CZ ARG A 5 11.888 7.621 -15.892 1.00 0.00 C ATOM 85 NH1 ARG A 5 12.376 6.674 -15.095 1.00 0.00 N ATOM 86 NH2 ARG A 5 11.551 7.326 -17.139 1.00 0.00 N ATOM 0 H ARG A 5 16.050 13.084 -15.030 1.00 0.00 H new ATOM 0 HA ARG A 5 13.225 13.036 -15.491 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.638 10.636 -15.783 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.519 10.580 -14.269 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.498 11.113 -13.008 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.594 11.375 -14.485 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.885 8.728 -13.703 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.197 9.121 -13.442 1.00 0.00 H new ATOM 0 HE ARG A 5 11.380 9.567 -16.103 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.639 6.900 -14.136 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.487 5.722 -15.443 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.180 8.052 -17.752 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.662 6.373 -17.486 1.00 0.00 H new ATOM 100 N LYS A 6 13.274 14.182 -13.274 1.00 0.00 N ATOM 101 CA LYS A 6 13.405 14.973 -12.058 1.00 0.00 C ATOM 102 C LYS A 6 12.884 14.240 -10.833 1.00 0.00 C ATOM 103 O LYS A 6 11.684 13.992 -10.701 1.00 0.00 O ATOM 104 CB LYS A 6 12.691 16.319 -12.191 1.00 0.00 C ATOM 105 CG LYS A 6 13.453 17.337 -13.020 1.00 0.00 C ATOM 106 CD LYS A 6 12.891 18.736 -12.822 1.00 0.00 C ATOM 107 CE LYS A 6 13.726 19.778 -13.542 1.00 0.00 C ATOM 108 NZ LYS A 6 13.285 21.160 -13.219 1.00 0.00 N ATOM 0 H LYS A 6 12.476 14.427 -13.860 1.00 0.00 H new ATOM 0 HA LYS A 6 14.472 15.145 -11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.712 16.157 -12.641 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.520 16.729 -11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.507 17.322 -12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.399 17.066 -14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.866 18.773 -13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.856 18.968 -11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.774 19.657 -13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.659 19.617 -14.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.880 21.843 -13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.293 21.283 -13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.373 21.322 -12.196 1.00 0.00 H new ATOM 122 N VAL A 7 13.796 13.916 -9.934 1.00 0.00 N ATOM 123 CA VAL A 7 13.437 13.315 -8.666 1.00 0.00 C ATOM 124 C VAL A 7 13.335 14.408 -7.609 1.00 0.00 C ATOM 125 O VAL A 7 14.183 14.526 -6.719 1.00 0.00 O ATOM 126 CB VAL A 7 14.455 12.241 -8.220 1.00 0.00 C ATOM 127 CG1 VAL A 7 13.950 11.490 -6.995 1.00 0.00 C ATOM 128 CG2 VAL A 7 14.751 11.279 -9.360 1.00 0.00 C ATOM 0 H VAL A 7 14.797 14.061 -10.062 1.00 0.00 H new ATOM 0 HA VAL A 7 12.476 12.815 -8.788 1.00 0.00 H new ATOM 0 HB VAL A 7 15.383 12.743 -7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.684 10.740 -6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.799 12.192 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.005 11.000 -7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.470 10.530 -9.027 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.829 10.786 -9.668 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.167 11.831 -10.203 1.00 0.00 H new ATOM 138 N GLU A 8 12.323 15.247 -7.759 1.00 0.00 N ATOM 139 CA GLU A 8 12.048 16.307 -6.798 1.00 0.00 C ATOM 140 C GLU A 8 10.687 16.070 -6.176 1.00 0.00 C ATOM 141 O GLU A 8 10.575 15.738 -4.996 1.00 0.00 O ATOM 142 CB GLU A 8 12.085 17.681 -7.469 1.00 0.00 C ATOM 143 CG GLU A 8 13.366 17.952 -8.237 1.00 0.00 C ATOM 144 CD GLU A 8 13.464 19.383 -8.716 1.00 0.00 C ATOM 145 OE1 GLU A 8 12.761 19.749 -9.677 1.00 0.00 O ATOM 146 OE2 GLU A 8 14.256 20.151 -8.133 1.00 0.00 O ATOM 0 H GLU A 8 11.672 15.215 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 8 12.817 16.291 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.239 17.765 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.959 18.451 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.222 17.726 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.420 17.281 -9.094 1.00 0.00 H new ATOM 153 N GLY A 9 9.659 16.226 -6.990 1.00 0.00 N ATOM 154 CA GLY A 9 8.313 15.920 -6.561 1.00 0.00 C ATOM 155 C GLY A 9 7.623 14.983 -7.530 1.00 0.00 C ATOM 156 O GLY A 9 6.796 15.426 -8.331 1.00 0.00 O ATOM 0 H GLY A 9 9.733 16.563 -7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.340 15.466 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.739 16.842 -6.474 1.00 0.00 H new ATOM 160 N PRO A 10 7.970 13.682 -7.502 1.00 0.00 N ATOM 161 CA PRO A 10 7.367 12.682 -8.387 1.00 0.00 C ATOM 162 C PRO A 10 5.865 12.578 -8.177 1.00 0.00 C ATOM 163 O PRO A 10 5.398 12.272 -7.079 1.00 0.00 O ATOM 164 CB PRO A 10 8.057 11.369 -7.994 1.00 0.00 C ATOM 165 CG PRO A 10 9.298 11.781 -7.278 1.00 0.00 C ATOM 166 CD PRO A 10 8.973 13.082 -6.605 1.00 0.00 C ATOM 0 HA PRO A 10 7.501 12.936 -9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.416 10.763 -7.354 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.290 10.768 -8.873 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.596 11.028 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.129 11.898 -7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.576 12.928 -5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.855 13.715 -6.505 1.00 0.00 H new ATOM 174 N ARG A 11 5.114 12.844 -9.232 1.00 0.00 N ATOM 175 CA ARG A 11 3.663 12.823 -9.163 1.00 0.00 C ATOM 176 C ARG A 11 3.168 11.406 -9.424 1.00 0.00 C ATOM 177 O ARG A 11 2.079 11.024 -9.002 1.00 0.00 O ATOM 178 CB ARG A 11 3.076 13.813 -10.185 1.00 0.00 C ATOM 179 CG ARG A 11 1.639 14.245 -9.901 1.00 0.00 C ATOM 180 CD ARG A 11 0.614 13.339 -10.568 1.00 0.00 C ATOM 181 NE ARG A 11 -0.749 13.700 -10.182 1.00 0.00 N ATOM 182 CZ ARG A 11 -1.776 13.796 -11.024 1.00 0.00 C ATOM 183 NH1 ARG A 11 -1.621 13.528 -12.317 1.00 0.00 N ATOM 184 NH2 ARG A 11 -2.968 14.154 -10.567 1.00 0.00 N ATOM 0 H ARG A 11 5.488 13.078 -10.152 1.00 0.00 H new ATOM 0 HA ARG A 11 3.334 13.129 -8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.708 14.700 -10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.116 13.359 -11.175 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.470 14.248 -8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.495 15.268 -10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.717 13.406 -11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.809 12.302 -10.293 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.926 13.892 -9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.708 13.245 -12.673 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.415 13.605 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.095 14.354 -9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.758 14.229 -11.208 1.00 0.00 H new ATOM 198 N SER A 12 3.993 10.628 -10.106 1.00 0.00 N ATOM 199 CA SER A 12 3.650 9.259 -10.429 1.00 0.00 C ATOM 200 C SER A 12 4.837 8.336 -10.182 1.00 0.00 C ATOM 201 O SER A 12 5.993 8.723 -10.369 1.00 0.00 O ATOM 202 CB SER A 12 3.206 9.160 -11.891 1.00 0.00 C ATOM 203 OG SER A 12 2.680 7.877 -12.192 1.00 0.00 O ATOM 0 H SER A 12 4.907 10.926 -10.446 1.00 0.00 H new ATOM 0 HA SER A 12 2.828 8.947 -9.784 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.452 9.920 -12.095 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.053 9.369 -12.544 1.00 0.00 H new ATOM 0 HG SER A 12 2.464 7.408 -11.359 1.00 0.00 H new ATOM 209 N VAL A 13 4.538 7.128 -9.744 1.00 0.00 N ATOM 210 CA VAL A 13 5.545 6.099 -9.563 1.00 0.00 C ATOM 211 C VAL A 13 5.266 4.942 -10.507 1.00 0.00 C ATOM 212 O VAL A 13 4.109 4.564 -10.709 1.00 0.00 O ATOM 213 CB VAL A 13 5.597 5.569 -8.108 1.00 0.00 C ATOM 214 CG1 VAL A 13 6.104 6.638 -7.154 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.230 5.056 -7.654 1.00 0.00 C ATOM 0 H VAL A 13 3.592 6.832 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 13 6.512 6.551 -9.784 1.00 0.00 H new ATOM 0 HB VAL A 13 6.296 4.733 -8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.130 6.238 -6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.108 6.943 -7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.438 7.500 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.300 4.691 -6.629 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.503 5.867 -7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.911 4.244 -8.307 1.00 0.00 H new ATOM 225 N THR A 14 6.308 4.394 -11.103 1.00 0.00 N ATOM 226 CA THR A 14 6.147 3.242 -11.969 1.00 0.00 C ATOM 227 C THR A 14 6.369 1.966 -11.179 1.00 0.00 C ATOM 228 O THR A 14 7.492 1.653 -10.788 1.00 0.00 O ATOM 229 CB THR A 14 7.115 3.278 -13.165 1.00 0.00 C ATOM 230 OG1 THR A 14 7.015 4.547 -13.825 1.00 0.00 O ATOM 231 CG2 THR A 14 6.795 2.156 -14.150 1.00 0.00 C ATOM 0 H THR A 14 7.268 4.725 -11.005 1.00 0.00 H new ATOM 0 HA THR A 14 5.130 3.269 -12.360 1.00 0.00 H new ATOM 0 HB THR A 14 8.131 3.136 -12.798 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.633 4.570 -14.585 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.490 2.199 -14.988 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.890 1.193 -13.648 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.776 2.274 -14.518 1.00 0.00 H new ATOM 239 N LEU A 15 5.291 1.250 -10.919 1.00 0.00 N ATOM 240 CA LEU A 15 5.382 -0.001 -10.195 1.00 0.00 C ATOM 241 C LEU A 15 6.061 -1.048 -11.074 1.00 0.00 C ATOM 242 O LEU A 15 5.794 -1.112 -12.275 1.00 0.00 O ATOM 243 CB LEU A 15 3.989 -0.487 -9.781 1.00 0.00 C ATOM 244 CG LEU A 15 3.194 0.472 -8.891 1.00 0.00 C ATOM 245 CD1 LEU A 15 1.827 -0.108 -8.567 1.00 0.00 C ATOM 246 CD2 LEU A 15 3.961 0.773 -7.613 1.00 0.00 C ATOM 0 H LEU A 15 4.346 1.513 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 15 5.973 0.155 -9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.409 -0.683 -10.683 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.095 -1.437 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 15 3.051 1.405 -9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.277 0.588 -7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.273 -0.273 -9.491 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.949 -1.056 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.381 1.456 -6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.136 -0.154 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.917 1.233 -7.862 1.00 0.00 H new ATOM 258 N PRO A 16 6.945 -1.881 -10.492 1.00 0.00 N ATOM 259 CA PRO A 16 7.610 -2.984 -11.214 1.00 0.00 C ATOM 260 C PRO A 16 6.597 -3.980 -11.767 1.00 0.00 C ATOM 261 O PRO A 16 6.939 -4.908 -12.503 1.00 0.00 O ATOM 262 CB PRO A 16 8.487 -3.644 -10.145 1.00 0.00 C ATOM 263 CG PRO A 16 8.669 -2.596 -9.102 1.00 0.00 C ATOM 264 CD PRO A 16 7.393 -1.802 -9.092 1.00 0.00 C ATOM 0 HA PRO A 16 8.177 -2.632 -12.075 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.008 -4.533 -9.734 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.444 -3.961 -10.559 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.858 -3.044 -8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.524 -1.960 -9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.658 -2.227 -8.408 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.561 -0.771 -8.779 1.00 0.00 H new ATOM 272 N ASP A 17 5.349 -3.762 -11.395 1.00 0.00 N ATOM 273 CA ASP A 17 4.229 -4.545 -11.877 1.00 0.00 C ATOM 274 C ASP A 17 3.956 -4.209 -13.341 1.00 0.00 C ATOM 275 O ASP A 17 3.425 -5.025 -14.093 1.00 0.00 O ATOM 276 CB ASP A 17 3.000 -4.227 -11.016 1.00 0.00 C ATOM 277 CG ASP A 17 1.766 -5.017 -11.393 1.00 0.00 C ATOM 278 OD1 ASP A 17 1.017 -4.567 -12.276 1.00 0.00 O ATOM 279 OD2 ASP A 17 1.518 -6.073 -10.773 1.00 0.00 O ATOM 0 H ASP A 17 5.083 -3.026 -10.741 1.00 0.00 H new ATOM 0 HA ASP A 17 4.457 -5.609 -11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.240 -4.424 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.777 -3.163 -11.097 1.00 0.00 H new ATOM 284 N GLY A 18 4.360 -3.005 -13.738 1.00 0.00 N ATOM 285 CA GLY A 18 4.136 -2.544 -15.093 1.00 0.00 C ATOM 286 C GLY A 18 2.940 -1.623 -15.179 1.00 0.00 C ATOM 287 O GLY A 18 2.067 -1.801 -16.030 1.00 0.00 O ATOM 0 H GLY A 18 4.843 -2.337 -13.137 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.024 -2.023 -15.452 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.983 -3.401 -15.749 1.00 0.00 H new ATOM 291 N SER A 19 2.897 -0.644 -14.289 1.00 0.00 N ATOM 292 CA SER A 19 1.800 0.309 -14.247 1.00 0.00 C ATOM 293 C SER A 19 2.241 1.574 -13.520 1.00 0.00 C ATOM 294 O SER A 19 2.912 1.506 -12.484 1.00 0.00 O ATOM 295 CB SER A 19 0.590 -0.319 -13.543 1.00 0.00 C ATOM 296 OG SER A 19 -0.568 0.493 -13.662 1.00 0.00 O ATOM 0 H SER A 19 3.615 -0.488 -13.581 1.00 0.00 H new ATOM 0 HA SER A 19 1.513 0.573 -15.265 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.390 -1.302 -13.970 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.821 -0.471 -12.489 1.00 0.00 H new ATOM 0 HG SER A 19 -1.319 0.061 -13.204 1.00 0.00 H new ATOM 302 N ILE A 20 1.899 2.724 -14.079 1.00 0.00 N ATOM 303 CA ILE A 20 2.206 3.991 -13.434 1.00 0.00 C ATOM 304 C ILE A 20 1.053 4.429 -12.540 1.00 0.00 C ATOM 305 O ILE A 20 -0.103 4.478 -12.964 1.00 0.00 O ATOM 306 CB ILE A 20 2.527 5.109 -14.451 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.387 5.279 -15.462 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.837 4.813 -15.165 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.569 6.457 -16.397 1.00 0.00 C ATOM 0 H ILE A 20 1.412 2.807 -14.972 1.00 0.00 H new ATOM 0 HA ILE A 20 3.098 3.827 -12.830 1.00 0.00 H new ATOM 0 HB ILE A 20 2.632 6.046 -13.905 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.300 4.368 -16.054 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.449 5.399 -14.921 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.050 5.609 -15.878 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.644 4.754 -14.435 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.756 3.863 -15.694 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.723 6.512 -17.082 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.625 7.377 -15.816 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.490 6.331 -16.967 1.00 0.00 H new ATOM 321 N MET A 21 1.371 4.732 -11.295 1.00 0.00 N ATOM 322 CA MET A 21 0.364 5.130 -10.327 1.00 0.00 C ATOM 323 C MET A 21 0.684 6.496 -9.752 1.00 0.00 C ATOM 324 O MET A 21 1.847 6.834 -9.547 1.00 0.00 O ATOM 325 CB MET A 21 0.270 4.106 -9.195 1.00 0.00 C ATOM 326 CG MET A 21 -0.372 2.795 -9.607 1.00 0.00 C ATOM 327 SD MET A 21 -2.128 2.968 -9.975 1.00 0.00 S ATOM 328 CE MET A 21 -2.760 3.438 -8.367 1.00 0.00 C ATOM 0 H MET A 21 2.323 4.710 -10.929 1.00 0.00 H new ATOM 0 HA MET A 21 -0.595 5.179 -10.842 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.272 3.906 -8.815 1.00 0.00 H new ATOM 0 HB3 MET A 21 -0.302 4.538 -8.374 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.142 2.403 -10.484 1.00 0.00 H new ATOM 0 HG3 MET A 21 -0.242 2.064 -8.808 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.824 3.208 -8.313 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.230 2.885 -7.592 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.612 4.507 -8.216 1.00 0.00 H new ATOM 338 N THR A 22 -0.345 7.286 -9.525 1.00 0.00 N ATOM 339 CA THR A 22 -0.189 8.566 -8.859 1.00 0.00 C ATOM 340 C THR A 22 -0.913 8.525 -7.523 1.00 0.00 C ATOM 341 O THR A 22 -1.640 7.572 -7.241 1.00 0.00 O ATOM 342 CB THR A 22 -0.756 9.732 -9.696 1.00 0.00 C ATOM 343 OG1 THR A 22 -2.173 9.591 -9.847 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.108 9.786 -11.068 1.00 0.00 C ATOM 0 H THR A 22 -1.304 7.064 -9.793 1.00 0.00 H new ATOM 0 HA THR A 22 0.879 8.738 -8.722 1.00 0.00 H new ATOM 0 HB THR A 22 -0.535 10.659 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.366 9.080 -10.660 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.527 10.617 -11.636 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.967 9.927 -10.957 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.299 8.852 -11.597 1.00 0.00 H new ATOM 352 N ARG A 23 -0.728 9.549 -6.705 1.00 0.00 N ATOM 353 CA ARG A 23 -1.450 9.635 -5.445 1.00 0.00 C ATOM 354 C ARG A 23 -2.928 9.880 -5.735 1.00 0.00 C ATOM 355 O ARG A 23 -3.803 9.418 -5.008 1.00 0.00 O ATOM 356 CB ARG A 23 -0.862 10.748 -4.572 1.00 0.00 C ATOM 357 CG ARG A 23 -1.049 10.540 -3.070 1.00 0.00 C ATOM 358 CD ARG A 23 -2.157 11.408 -2.484 1.00 0.00 C ATOM 359 NE ARG A 23 -3.486 10.979 -2.912 1.00 0.00 N ATOM 360 CZ ARG A 23 -4.608 11.649 -2.672 1.00 0.00 C ATOM 361 NH1 ARG A 23 -4.575 12.776 -1.968 1.00 0.00 N ATOM 362 NH2 ARG A 23 -5.765 11.174 -3.127 1.00 0.00 N ATOM 0 H ARG A 23 -0.091 10.325 -6.888 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.350 8.699 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.204 10.834 -4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.321 11.695 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.277 9.491 -2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.112 10.761 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.101 11.378 -1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.999 12.444 -2.782 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.558 10.104 -3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.687 13.128 -1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.438 13.289 -1.785 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.786 10.302 -3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.631 11.682 -2.947 1.00 0.00 H new ATOM 376 N ALA A 24 -3.192 10.579 -6.835 1.00 0.00 N ATOM 377 CA ALA A 24 -4.555 10.884 -7.248 1.00 0.00 C ATOM 378 C ALA A 24 -5.262 9.633 -7.761 1.00 0.00 C ATOM 379 O ALA A 24 -6.489 9.548 -7.736 1.00 0.00 O ATOM 380 CB ALA A 24 -4.549 11.965 -8.317 1.00 0.00 C ATOM 0 H ALA A 24 -2.474 10.946 -7.459 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.103 11.250 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.573 12.185 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.086 12.868 -7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.983 11.618 -9.182 1.00 0.00 H new ATOM 386 N ASP A 25 -4.483 8.667 -8.242 1.00 0.00 N ATOM 387 CA ASP A 25 -5.039 7.391 -8.687 1.00 0.00 C ATOM 388 C ASP A 25 -5.383 6.518 -7.493 1.00 0.00 C ATOM 389 O ASP A 25 -6.216 5.616 -7.591 1.00 0.00 O ATOM 390 CB ASP A 25 -4.066 6.633 -9.594 1.00 0.00 C ATOM 391 CG ASP A 25 -3.884 7.287 -10.943 1.00 0.00 C ATOM 392 OD1 ASP A 25 -4.898 7.579 -11.610 1.00 0.00 O ATOM 393 OD2 ASP A 25 -2.725 7.517 -11.337 1.00 0.00 O ATOM 0 H ASP A 25 -3.470 8.742 -8.333 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.941 7.616 -9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.098 6.560 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.429 5.615 -9.736 1.00 0.00 H new ATOM 398 N LEU A 26 -4.727 6.790 -6.377 1.00 0.00 N ATOM 399 CA LEU A 26 -4.971 6.050 -5.152 1.00 0.00 C ATOM 400 C LEU A 26 -6.340 6.394 -4.586 1.00 0.00 C ATOM 401 O LEU A 26 -6.705 7.569 -4.501 1.00 0.00 O ATOM 402 CB LEU A 26 -3.883 6.343 -4.114 1.00 0.00 C ATOM 403 CG LEU A 26 -2.478 5.865 -4.485 1.00 0.00 C ATOM 404 CD1 LEU A 26 -1.486 6.256 -3.398 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.467 4.359 -4.702 1.00 0.00 C ATOM 0 H LEU A 26 -4.020 7.520 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.946 4.986 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.849 7.419 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.170 5.878 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.181 6.346 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.490 5.910 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.476 7.340 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.781 5.798 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.460 4.037 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.781 3.857 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.152 4.103 -5.510 1.00 0.00 H new ATOM 417 N PRO A 27 -7.114 5.355 -4.226 1.00 0.00 N ATOM 418 CA PRO A 27 -8.429 5.485 -3.587 1.00 0.00 C ATOM 419 C PRO A 27 -8.497 6.622 -2.569 1.00 0.00 C ATOM 420 O PRO A 27 -7.773 6.627 -1.572 1.00 0.00 O ATOM 421 CB PRO A 27 -8.568 4.136 -2.896 1.00 0.00 C ATOM 422 CG PRO A 27 -7.923 3.193 -3.841 1.00 0.00 C ATOM 423 CD PRO A 27 -6.759 3.939 -4.434 1.00 0.00 C ATOM 0 HA PRO A 27 -9.219 5.725 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.074 4.130 -1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.613 3.879 -2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.589 2.292 -3.327 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.621 2.878 -4.616 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.823 3.683 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.632 3.709 -5.492 1.00 0.00 H new ATOM 431 N PRO A 28 -9.382 7.598 -2.815 1.00 0.00 N ATOM 432 CA PRO A 28 -9.524 8.792 -1.970 1.00 0.00 C ATOM 433 C PRO A 28 -10.268 8.512 -0.664 1.00 0.00 C ATOM 434 O PRO A 28 -11.180 9.254 -0.292 1.00 0.00 O ATOM 435 CB PRO A 28 -10.342 9.730 -2.854 1.00 0.00 C ATOM 436 CG PRO A 28 -11.179 8.818 -3.680 1.00 0.00 C ATOM 437 CD PRO A 28 -10.324 7.615 -3.953 1.00 0.00 C ATOM 0 HA PRO A 28 -8.558 9.189 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.957 10.404 -2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.699 10.353 -3.476 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.091 8.538 -3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.484 9.300 -4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.918 6.702 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.801 7.701 -4.906 1.00 0.00 H new ATOM 445 N ALA A 29 -9.860 7.439 0.018 1.00 0.00 N ATOM 446 CA ALA A 29 -10.461 7.000 1.283 1.00 0.00 C ATOM 447 C ALA A 29 -11.858 6.424 1.075 1.00 0.00 C ATOM 448 O ALA A 29 -12.153 5.317 1.528 1.00 0.00 O ATOM 449 CB ALA A 29 -10.480 8.126 2.311 1.00 0.00 C ATOM 0 H ALA A 29 -9.094 6.843 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.833 6.201 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.932 7.767 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.460 8.455 2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.062 8.962 1.924 1.00 0.00 H new ATOM 455 N ASN A 30 -12.708 7.175 0.388 1.00 0.00 N ATOM 456 CA ASN A 30 -14.057 6.723 0.069 1.00 0.00 C ATOM 457 C ASN A 30 -14.000 5.519 -0.859 1.00 0.00 C ATOM 458 O ASN A 30 -14.163 4.382 -0.420 1.00 0.00 O ATOM 459 CB ASN A 30 -14.864 7.844 -0.593 1.00 0.00 C ATOM 460 CG ASN A 30 -15.087 9.040 0.316 1.00 0.00 C ATOM 461 OD1 ASN A 30 -15.099 10.184 -0.144 1.00 0.00 O ATOM 462 ND2 ASN A 30 -15.270 8.792 1.604 1.00 0.00 N ATOM 0 H ASN A 30 -12.486 8.107 0.038 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.549 6.440 0.999 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.346 8.173 -1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.830 7.450 -0.907 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.428 9.562 2.254 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.253 7.831 1.946 1.00 0.00 H new ATOM 469 N THR A 31 -13.731 5.791 -2.137 1.00 0.00 N ATOM 470 CA THR A 31 -13.604 4.756 -3.167 1.00 0.00 C ATOM 471 C THR A 31 -14.928 4.021 -3.409 1.00 0.00 C ATOM 472 O THR A 31 -15.599 3.588 -2.472 1.00 0.00 O ATOM 473 CB THR A 31 -12.516 3.745 -2.794 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.384 4.452 -2.282 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.099 2.914 -3.999 1.00 0.00 C ATOM 0 H THR A 31 -13.594 6.739 -2.489 1.00 0.00 H new ATOM 0 HA THR A 31 -13.324 5.263 -4.090 1.00 0.00 H new ATOM 0 HB THR A 31 -12.912 3.066 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.034 3.984 -1.495 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.325 2.206 -3.702 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.962 2.370 -4.382 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.710 3.571 -4.777 1.00 0.00 H new ATOM 483 N ARG A 32 -15.296 3.866 -4.667 1.00 0.00 N ATOM 484 CA ARG A 32 -16.567 3.247 -5.004 1.00 0.00 C ATOM 485 C ARG A 32 -16.450 1.728 -5.078 1.00 0.00 C ATOM 486 O ARG A 32 -15.802 1.184 -5.974 1.00 0.00 O ATOM 487 CB ARG A 32 -17.111 3.825 -6.311 1.00 0.00 C ATOM 488 CG ARG A 32 -17.702 5.215 -6.138 1.00 0.00 C ATOM 489 CD ARG A 32 -18.077 5.845 -7.471 1.00 0.00 C ATOM 490 NE ARG A 32 -18.912 7.036 -7.298 1.00 0.00 N ATOM 491 CZ ARG A 32 -18.505 8.283 -7.538 1.00 0.00 C ATOM 492 NH1 ARG A 32 -17.250 8.525 -7.885 1.00 0.00 N ATOM 493 NH2 ARG A 32 -19.350 9.297 -7.404 1.00 0.00 N ATOM 0 H ARG A 32 -14.738 4.158 -5.469 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.274 3.475 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.308 3.865 -7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -17.875 3.157 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -18.586 5.157 -5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.983 5.853 -5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.170 6.113 -8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.609 5.115 -8.081 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.869 6.903 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.587 7.755 -7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.947 9.482 -8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.313 9.124 -7.117 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.036 10.250 -7.588 1.00 0.00 H new ATOM 507 N ARG A 33 -17.048 1.070 -4.083 1.00 0.00 N ATOM 508 CA ARG A 33 -17.195 -0.393 -4.031 1.00 0.00 C ATOM 509 C ARG A 33 -15.898 -1.108 -3.639 1.00 0.00 C ATOM 510 O ARG A 33 -15.947 -2.129 -2.950 1.00 0.00 O ATOM 511 CB ARG A 33 -17.716 -0.949 -5.360 1.00 0.00 C ATOM 512 CG ARG A 33 -18.394 -2.302 -5.218 1.00 0.00 C ATOM 513 CD ARG A 33 -18.834 -2.852 -6.561 1.00 0.00 C ATOM 514 NE ARG A 33 -17.729 -3.468 -7.289 1.00 0.00 N ATOM 515 CZ ARG A 33 -17.623 -3.492 -8.615 1.00 0.00 C ATOM 516 NH1 ARG A 33 -18.499 -2.845 -9.375 1.00 0.00 N ATOM 517 NH2 ARG A 33 -16.623 -4.159 -9.174 1.00 0.00 N ATOM 0 H ARG A 33 -17.452 1.543 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.928 -0.592 -3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -18.422 -0.239 -5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.885 -1.038 -6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.709 -3.005 -4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -19.259 -2.208 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -19.624 -3.588 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -19.259 -2.047 -7.161 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.988 -3.910 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.262 -2.323 -8.943 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.409 -2.870 -10.391 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.945 -4.647 -8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.532 -4.184 -10.190 1.00 0.00 H new ATOM 531 N TRP A 34 -14.756 -0.577 -4.080 1.00 0.00 N ATOM 532 CA TRP A 34 -13.444 -1.175 -3.801 1.00 0.00 C ATOM 533 C TRP A 34 -13.259 -2.500 -4.533 1.00 0.00 C ATOM 534 O TRP A 34 -13.751 -3.539 -4.097 1.00 0.00 O ATOM 535 CB TRP A 34 -13.227 -1.404 -2.300 1.00 0.00 C ATOM 536 CG TRP A 34 -12.934 -0.161 -1.521 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.836 0.670 -0.925 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.641 0.384 -1.244 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.182 1.695 -0.291 1.00 0.00 N ATOM 540 CE2 TRP A 34 -11.833 1.544 -0.475 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.338 0.001 -1.576 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -10.770 2.324 -0.030 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.284 0.777 -1.134 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.505 1.928 -0.369 1.00 0.00 C ATOM 0 H TRP A 34 -14.712 0.276 -4.638 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.705 -0.459 -4.162 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.117 -1.877 -1.885 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.402 -2.104 -2.167 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.908 0.540 -0.949 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -13.628 2.448 0.233 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.159 -0.885 -2.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -10.938 3.211 0.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.273 0.491 -1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.660 2.515 -0.040 1.00 0.00 H new ATOM 555 N VAL A 35 -12.543 -2.466 -5.645 1.00 0.00 N ATOM 556 CA VAL A 35 -12.198 -3.695 -6.345 1.00 0.00 C ATOM 557 C VAL A 35 -10.861 -4.219 -5.830 1.00 0.00 C ATOM 558 O VAL A 35 -10.039 -3.443 -5.340 1.00 0.00 O ATOM 559 CB VAL A 35 -12.134 -3.506 -7.878 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.500 -3.129 -8.426 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.105 -2.455 -8.261 1.00 0.00 C ATOM 0 H VAL A 35 -12.192 -1.612 -6.079 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.988 -4.418 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.828 -4.455 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.436 -3.000 -9.506 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.215 -3.919 -8.197 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.831 -2.197 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.084 -2.345 -9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.371 -1.502 -7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.121 -2.764 -7.908 1.00 0.00 H new ATOM 571 N ALA A 36 -10.646 -5.527 -5.944 1.00 0.00 N ATOM 572 CA ALA A 36 -9.460 -6.170 -5.380 1.00 0.00 C ATOM 573 C ALA A 36 -8.185 -5.609 -5.995 1.00 0.00 C ATOM 574 O ALA A 36 -7.197 -5.377 -5.296 1.00 0.00 O ATOM 575 CB ALA A 36 -9.529 -7.675 -5.580 1.00 0.00 C ATOM 0 H ALA A 36 -11.280 -6.166 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.438 -5.959 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.639 -8.140 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.416 -8.068 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.581 -7.898 -6.646 1.00 0.00 H new ATOM 581 N SER A 37 -8.229 -5.378 -7.301 1.00 0.00 N ATOM 582 CA SER A 37 -7.099 -4.807 -8.026 1.00 0.00 C ATOM 583 C SER A 37 -6.713 -3.443 -7.445 1.00 0.00 C ATOM 584 O SER A 37 -5.534 -3.086 -7.379 1.00 0.00 O ATOM 585 CB SER A 37 -7.457 -4.668 -9.512 1.00 0.00 C ATOM 586 OG SER A 37 -6.364 -4.179 -10.267 1.00 0.00 O ATOM 0 H SER A 37 -9.041 -5.579 -7.884 1.00 0.00 H new ATOM 0 HA SER A 37 -6.243 -5.474 -7.922 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.767 -5.637 -9.904 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.306 -3.993 -9.621 1.00 0.00 H new ATOM 0 HG SER A 37 -6.625 -4.104 -11.209 1.00 0.00 H new ATOM 592 N ARG A 38 -7.716 -2.704 -6.990 1.00 0.00 N ATOM 593 CA ARG A 38 -7.507 -1.358 -6.486 1.00 0.00 C ATOM 594 C ARG A 38 -6.990 -1.394 -5.051 1.00 0.00 C ATOM 595 O ARG A 38 -6.245 -0.514 -4.637 1.00 0.00 O ATOM 596 CB ARG A 38 -8.812 -0.565 -6.584 1.00 0.00 C ATOM 597 CG ARG A 38 -8.677 0.900 -6.216 1.00 0.00 C ATOM 598 CD ARG A 38 -9.757 1.731 -6.886 1.00 0.00 C ATOM 599 NE ARG A 38 -9.623 1.706 -8.343 1.00 0.00 N ATOM 600 CZ ARG A 38 -9.278 2.756 -9.092 1.00 0.00 C ATOM 601 NH1 ARG A 38 -9.056 3.939 -8.537 1.00 0.00 N ATOM 602 NH2 ARG A 38 -9.151 2.608 -10.404 1.00 0.00 N ATOM 0 H ARG A 38 -8.686 -3.018 -6.961 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.751 -0.861 -7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.194 -0.639 -7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.554 -1.025 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.744 1.015 -5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.694 1.265 -6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.739 1.351 -6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.699 2.760 -6.531 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.806 0.823 -8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.148 4.054 -7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.793 4.734 -9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.317 1.697 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.888 3.405 -10.984 1.00 0.00 H new ATOM 616 N LYS A 39 -7.376 -2.426 -4.307 1.00 0.00 N ATOM 617 CA LYS A 39 -6.887 -2.621 -2.941 1.00 0.00 C ATOM 618 C LYS A 39 -5.378 -2.881 -2.963 1.00 0.00 C ATOM 619 O LYS A 39 -4.607 -2.268 -2.212 1.00 0.00 O ATOM 620 CB LYS A 39 -7.631 -3.795 -2.284 1.00 0.00 C ATOM 621 CG LYS A 39 -9.145 -3.635 -2.313 1.00 0.00 C ATOM 622 CD LYS A 39 -9.871 -4.940 -2.011 1.00 0.00 C ATOM 623 CE LYS A 39 -9.849 -5.281 -0.531 1.00 0.00 C ATOM 624 NZ LYS A 39 -10.620 -4.297 0.277 1.00 0.00 N ATOM 0 H LYS A 39 -8.027 -3.143 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.075 -1.721 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.360 -4.720 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.302 -3.892 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.442 -2.880 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.451 -3.270 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.904 -4.865 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.409 -5.750 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.264 -6.278 -0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.817 -5.310 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.724 -4.652 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.114 -3.388 0.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.561 -4.162 -0.145 1.00 0.00 H new ATOM 638 N ILE A 40 -4.969 -3.773 -3.858 1.00 0.00 N ATOM 639 CA ILE A 40 -3.560 -4.081 -4.069 1.00 0.00 C ATOM 640 C ILE A 40 -2.809 -2.843 -4.561 1.00 0.00 C ATOM 641 O ILE A 40 -1.626 -2.648 -4.266 1.00 0.00 O ATOM 642 CB ILE A 40 -3.400 -5.229 -5.091 1.00 0.00 C ATOM 643 CG1 ILE A 40 -4.118 -6.488 -4.594 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.931 -5.527 -5.349 1.00 0.00 C ATOM 645 CD1 ILE A 40 -4.094 -7.638 -5.583 1.00 0.00 C ATOM 0 H ILE A 40 -5.603 -4.302 -4.456 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.137 -4.397 -3.116 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.853 -4.913 -6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.657 -6.814 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.154 -6.238 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.846 -6.339 -6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.443 -4.636 -5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.450 -5.820 -4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.622 -8.493 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.582 -7.332 -6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.061 -7.917 -5.792 1.00 0.00 H new ATOM 657 N ALA A 41 -3.508 -2.001 -5.310 1.00 0.00 N ATOM 658 CA ALA A 41 -2.931 -0.764 -5.810 1.00 0.00 C ATOM 659 C ALA A 41 -2.653 0.214 -4.673 1.00 0.00 C ATOM 660 O ALA A 41 -1.695 0.982 -4.735 1.00 0.00 O ATOM 661 CB ALA A 41 -3.846 -0.128 -6.844 1.00 0.00 C ATOM 0 H ALA A 41 -4.478 -2.154 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.981 -1.007 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.398 0.797 -7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.985 -0.815 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.812 0.091 -6.389 1.00 0.00 H new ATOM 667 N VAL A 42 -3.481 0.177 -3.632 1.00 0.00 N ATOM 668 CA VAL A 42 -3.311 1.078 -2.496 1.00 0.00 C ATOM 669 C VAL A 42 -2.039 0.752 -1.734 1.00 0.00 C ATOM 670 O VAL A 42 -1.182 1.615 -1.556 1.00 0.00 O ATOM 671 CB VAL A 42 -4.492 1.030 -1.503 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.344 2.118 -0.448 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.814 1.175 -2.220 1.00 0.00 C ATOM 0 H VAL A 42 -4.271 -0.463 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.260 2.080 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.477 0.057 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.185 2.070 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.414 1.969 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.328 3.094 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.627 1.137 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.840 2.130 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.930 0.363 -2.937 1.00 0.00 H new ATOM 683 N VAL A 43 -1.911 -0.497 -1.293 1.00 0.00 N ATOM 684 CA VAL A 43 -0.745 -0.902 -0.505 1.00 0.00 C ATOM 685 C VAL A 43 0.563 -0.671 -1.260 1.00 0.00 C ATOM 686 O VAL A 43 1.536 -0.193 -0.682 1.00 0.00 O ATOM 687 CB VAL A 43 -0.821 -2.373 -0.035 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.507 -2.457 1.317 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.547 -3.242 -1.049 1.00 0.00 C ATOM 0 H VAL A 43 -2.589 -1.239 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.758 -0.266 0.380 1.00 0.00 H new ATOM 0 HB VAL A 43 0.198 -2.749 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.554 -3.498 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.943 -1.878 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.517 -2.055 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.583 -4.270 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.562 -2.870 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.017 -3.210 -2.001 1.00 0.00 H new ATOM 699 N ARG A 44 0.580 -0.981 -2.548 1.00 0.00 N ATOM 700 CA ARG A 44 1.770 -0.753 -3.362 1.00 0.00 C ATOM 701 C ARG A 44 1.984 0.739 -3.598 1.00 0.00 C ATOM 702 O ARG A 44 3.115 1.210 -3.655 1.00 0.00 O ATOM 703 CB ARG A 44 1.672 -1.508 -4.694 1.00 0.00 C ATOM 704 CG ARG A 44 1.688 -3.021 -4.523 1.00 0.00 C ATOM 705 CD ARG A 44 1.835 -3.752 -5.852 1.00 0.00 C ATOM 706 NE ARG A 44 0.649 -3.634 -6.702 1.00 0.00 N ATOM 707 CZ ARG A 44 0.478 -4.332 -7.830 1.00 0.00 C ATOM 708 NH1 ARG A 44 1.409 -5.192 -8.227 1.00 0.00 N ATOM 709 NH2 ARG A 44 -0.624 -4.181 -8.558 1.00 0.00 N ATOM 0 H ARG A 44 -0.209 -1.388 -3.051 1.00 0.00 H new ATOM 0 HA ARG A 44 2.633 -1.138 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.755 -1.215 -5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.502 -1.212 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.510 -3.301 -3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.766 -3.339 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.699 -3.355 -6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.035 -4.806 -5.661 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.086 -2.985 -6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.255 -5.320 -7.672 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.278 -5.724 -9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.348 -3.528 -8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.745 -4.718 -9.417 1.00 0.00 H new ATOM 723 N GLY A 45 0.890 1.482 -3.706 1.00 0.00 N ATOM 724 CA GLY A 45 0.981 2.911 -3.929 1.00 0.00 C ATOM 725 C GLY A 45 1.486 3.666 -2.712 1.00 0.00 C ATOM 726 O GLY A 45 2.385 4.497 -2.821 1.00 0.00 O ATOM 0 H GLY A 45 -0.061 1.119 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.647 3.101 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.001 3.294 -4.207 1.00 0.00 H new ATOM 730 N VAL A 46 0.914 3.377 -1.549 1.00 0.00 N ATOM 731 CA VAL A 46 1.280 4.091 -0.330 1.00 0.00 C ATOM 732 C VAL A 46 2.664 3.679 0.176 1.00 0.00 C ATOM 733 O VAL A 46 3.515 4.534 0.402 1.00 0.00 O ATOM 734 CB VAL A 46 0.233 3.916 0.805 1.00 0.00 C ATOM 735 CG1 VAL A 46 -1.094 4.547 0.421 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.030 2.450 1.173 1.00 0.00 C ATOM 0 H VAL A 46 0.200 2.659 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 46 1.304 5.146 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 46 0.627 4.428 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.810 4.411 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.951 5.612 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.475 4.071 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.710 2.374 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.320 1.901 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.975 2.026 1.513 1.00 0.00 H new ATOM 746 N ILE A 47 2.892 2.374 0.303 1.00 0.00 N ATOM 747 CA ILE A 47 4.108 1.854 0.927 1.00 0.00 C ATOM 748 C ILE A 47 5.331 2.044 0.033 1.00 0.00 C ATOM 749 O ILE A 47 6.410 2.402 0.506 1.00 0.00 O ATOM 750 CB ILE A 47 3.944 0.354 1.275 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.803 0.165 2.281 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.237 -0.228 1.833 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.500 -1.287 2.594 1.00 0.00 C ATOM 0 H ILE A 47 2.247 1.653 -0.020 1.00 0.00 H new ATOM 0 HA ILE A 47 4.267 2.423 1.843 1.00 0.00 H new ATOM 0 HB ILE A 47 3.702 -0.180 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.057 0.681 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.903 0.638 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.090 -1.282 2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.030 -0.128 1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.517 0.310 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.682 -1.341 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.214 -1.804 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.386 -1.761 3.016 1.00 0.00 H new ATOM 765 N TYR A 48 5.162 1.816 -1.262 1.00 0.00 N ATOM 766 CA TYR A 48 6.279 1.891 -2.191 1.00 0.00 C ATOM 767 C TYR A 48 6.453 3.310 -2.727 1.00 0.00 C ATOM 768 O TYR A 48 7.557 3.713 -3.100 1.00 0.00 O ATOM 769 CB TYR A 48 6.054 0.911 -3.347 1.00 0.00 C ATOM 770 CG TYR A 48 7.165 0.883 -4.371 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.340 0.188 -4.127 1.00 0.00 C ATOM 772 CD2 TYR A 48 7.035 1.553 -5.581 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.358 0.159 -5.061 1.00 0.00 C ATOM 774 CE2 TYR A 48 8.048 1.529 -6.521 1.00 0.00 C ATOM 775 CZ TYR A 48 9.209 0.831 -6.255 1.00 0.00 C ATOM 776 OH TYR A 48 10.222 0.805 -7.185 1.00 0.00 O ATOM 0 H TYR A 48 4.267 1.579 -1.691 1.00 0.00 H new ATOM 0 HA TYR A 48 7.191 1.620 -1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.929 -0.091 -2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.121 1.169 -3.849 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.461 -0.339 -3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.128 2.101 -5.790 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.266 -0.388 -4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.932 2.053 -7.458 1.00 0.00 H new ATOM 0 HH TYR A 48 9.958 1.327 -7.971 1.00 0.00 H new ATOM 786 N GLY A 49 5.363 4.067 -2.757 1.00 0.00 N ATOM 787 CA GLY A 49 5.392 5.367 -3.391 1.00 0.00 C ATOM 788 C GLY A 49 5.501 6.539 -2.428 1.00 0.00 C ATOM 789 O GLY A 49 6.429 7.344 -2.529 1.00 0.00 O ATOM 0 H GLY A 49 4.464 3.803 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.235 5.401 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.487 5.486 -3.987 1.00 0.00 H new ATOM 793 N LEU A 50 4.560 6.648 -1.498 1.00 0.00 N ATOM 794 CA LEU A 50 4.384 7.891 -0.753 1.00 0.00 C ATOM 795 C LEU A 50 4.885 7.828 0.694 1.00 0.00 C ATOM 796 O LEU A 50 5.940 8.381 1.014 1.00 0.00 O ATOM 797 CB LEU A 50 2.909 8.324 -0.762 1.00 0.00 C ATOM 798 CG LEU A 50 2.367 8.888 -2.085 1.00 0.00 C ATOM 799 CD1 LEU A 50 3.266 9.998 -2.607 1.00 0.00 C ATOM 800 CD2 LEU A 50 2.199 7.797 -3.130 1.00 0.00 C ATOM 0 H LEU A 50 3.914 5.901 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 50 5.001 8.627 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.300 7.465 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.770 9.078 0.013 1.00 0.00 H new ATOM 0 HG LEU A 50 1.381 9.308 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.863 10.382 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.312 10.804 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.268 9.605 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.814 8.233 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.164 7.328 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.499 7.047 -2.763 1.00 0.00 H new ATOM 812 N ILE A 51 4.130 7.169 1.566 1.00 0.00 N ATOM 813 CA ILE A 51 4.327 7.324 3.007 1.00 0.00 C ATOM 814 C ILE A 51 4.308 5.988 3.740 1.00 0.00 C ATOM 815 O ILE A 51 4.238 4.928 3.125 1.00 0.00 O ATOM 816 CB ILE A 51 3.247 8.245 3.643 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.853 7.583 3.653 1.00 0.00 C ATOM 818 CG2 ILE A 51 3.193 9.590 2.936 1.00 0.00 C ATOM 819 CD1 ILE A 51 1.231 7.351 2.290 1.00 0.00 C ATOM 0 H ILE A 51 3.381 6.527 1.306 1.00 0.00 H new ATOM 0 HA ILE A 51 5.311 7.780 3.118 1.00 0.00 H new ATOM 0 HB ILE A 51 3.539 8.408 4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.929 6.624 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.178 8.206 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.430 10.215 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.162 10.082 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.948 9.439 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.255 6.882 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.114 8.305 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.876 6.699 1.702 1.00 0.00 H new ATOM 831 N THR A 52 4.356 6.052 5.068 1.00 0.00 N ATOM 832 CA THR A 52 4.309 4.855 5.892 1.00 0.00 C ATOM 833 C THR A 52 2.864 4.510 6.239 1.00 0.00 C ATOM 834 O THR A 52 1.939 5.249 5.888 1.00 0.00 O ATOM 835 CB THR A 52 5.114 5.027 7.197 1.00 0.00 C ATOM 836 OG1 THR A 52 4.499 6.009 8.042 1.00 0.00 O ATOM 837 CG2 THR A 52 6.552 5.434 6.906 1.00 0.00 C ATOM 0 H THR A 52 4.428 6.923 5.594 1.00 0.00 H new ATOM 0 HA THR A 52 4.757 4.047 5.314 1.00 0.00 H new ATOM 0 HB THR A 52 5.121 4.065 7.709 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.602 6.897 7.640 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.095 5.548 7.844 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.032 4.666 6.300 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.560 6.380 6.365 1.00 0.00 H new ATOM 845 N LEU A 53 2.666 3.406 6.954 1.00 0.00 N ATOM 846 CA LEU A 53 1.328 2.977 7.328 1.00 0.00 C ATOM 847 C LEU A 53 0.736 3.909 8.380 1.00 0.00 C ATOM 848 O LEU A 53 -0.474 3.963 8.554 1.00 0.00 O ATOM 849 CB LEU A 53 1.345 1.533 7.845 1.00 0.00 C ATOM 850 CG LEU A 53 0.001 1.003 8.358 1.00 0.00 C ATOM 851 CD1 LEU A 53 -1.076 1.116 7.285 1.00 0.00 C ATOM 852 CD2 LEU A 53 0.141 -0.438 8.824 1.00 0.00 C ATOM 0 H LEU A 53 3.414 2.796 7.284 1.00 0.00 H new ATOM 0 HA LEU A 53 0.700 3.018 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.691 0.882 7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.076 1.462 8.651 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.303 1.615 9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.019 0.733 7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.198 2.161 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.782 0.534 6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.822 -0.799 9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.472 -1.059 7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.873 -0.490 9.630 1.00 0.00 H new ATOM 864 N ALA A 54 1.586 4.655 9.069 1.00 0.00 N ATOM 865 CA ALA A 54 1.111 5.591 10.074 1.00 0.00 C ATOM 866 C ALA A 54 0.267 6.681 9.416 1.00 0.00 C ATOM 867 O ALA A 54 -0.865 6.944 9.834 1.00 0.00 O ATOM 868 CB ALA A 54 2.279 6.188 10.842 1.00 0.00 C ATOM 0 H ALA A 54 2.599 4.631 8.952 1.00 0.00 H new ATOM 0 HA ALA A 54 0.484 5.057 10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.904 6.886 11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.835 5.391 11.336 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.937 6.715 10.151 1.00 0.00 H new ATOM 874 N GLU A 55 0.810 7.287 8.363 1.00 0.00 N ATOM 875 CA GLU A 55 0.090 8.307 7.607 1.00 0.00 C ATOM 876 C GLU A 55 -1.044 7.669 6.814 1.00 0.00 C ATOM 877 O GLU A 55 -2.145 8.220 6.718 1.00 0.00 O ATOM 878 CB GLU A 55 1.026 9.045 6.643 1.00 0.00 C ATOM 879 CG GLU A 55 2.101 9.888 7.313 1.00 0.00 C ATOM 880 CD GLU A 55 3.183 9.056 7.968 1.00 0.00 C ATOM 881 OE1 GLU A 55 3.994 8.448 7.235 1.00 0.00 O ATOM 882 OE2 GLU A 55 3.220 9.001 9.213 1.00 0.00 O ATOM 0 H GLU A 55 1.748 7.089 8.014 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.316 9.025 8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.510 8.312 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.427 9.690 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.555 10.545 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.638 10.528 8.064 1.00 0.00 H new ATOM 889 N ALA A 56 -0.769 6.488 6.269 1.00 0.00 N ATOM 890 CA ALA A 56 -1.748 5.750 5.479 1.00 0.00 C ATOM 891 C ALA A 56 -2.844 5.169 6.358 1.00 0.00 C ATOM 892 O ALA A 56 -3.802 4.620 5.854 1.00 0.00 O ATOM 893 CB ALA A 56 -1.068 4.646 4.682 1.00 0.00 C ATOM 0 H ALA A 56 0.132 6.019 6.362 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.211 6.451 4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.814 4.106 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.330 5.084 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.573 3.956 5.365 1.00 0.00 H new ATOM 899 N LYS A 57 -2.697 5.283 7.665 1.00 0.00 N ATOM 900 CA LYS A 57 -3.751 4.872 8.578 1.00 0.00 C ATOM 901 C LYS A 57 -4.634 6.068 8.896 1.00 0.00 C ATOM 902 O LYS A 57 -5.861 5.961 8.938 1.00 0.00 O ATOM 903 CB LYS A 57 -3.159 4.291 9.860 1.00 0.00 C ATOM 904 CG LYS A 57 -4.176 3.561 10.724 1.00 0.00 C ATOM 905 CD LYS A 57 -3.518 2.898 11.925 1.00 0.00 C ATOM 906 CE LYS A 57 -2.440 1.911 11.499 1.00 0.00 C ATOM 907 NZ LYS A 57 -1.925 1.120 12.646 1.00 0.00 N ATOM 0 H LYS A 57 -1.862 5.655 8.118 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.351 4.095 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.355 3.603 9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.712 5.097 10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.935 4.264 11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.687 2.807 10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.080 3.661 12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.274 2.380 12.515 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.844 1.235 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.617 2.452 11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.193 0.461 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.516 1.762 13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.705 0.583 13.075 1.00 0.00 H new ATOM 921 N GLN A 58 -3.995 7.214 9.094 1.00 0.00 N ATOM 922 CA GLN A 58 -4.702 8.464 9.330 1.00 0.00 C ATOM 923 C GLN A 58 -5.627 8.770 8.158 1.00 0.00 C ATOM 924 O GLN A 58 -6.787 9.142 8.339 1.00 0.00 O ATOM 925 CB GLN A 58 -3.698 9.607 9.498 1.00 0.00 C ATOM 926 CG GLN A 58 -2.734 9.424 10.659 1.00 0.00 C ATOM 927 CD GLN A 58 -1.562 10.380 10.587 1.00 0.00 C ATOM 928 OE1 GLN A 58 -1.678 11.489 10.064 1.00 0.00 O ATOM 929 NE2 GLN A 58 -0.422 9.956 11.105 1.00 0.00 N ATOM 0 H GLN A 58 -2.979 7.302 9.095 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.294 8.366 10.240 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.124 9.710 8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.246 10.539 9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.266 9.575 11.598 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.364 8.399 10.664 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.368 9.030 11.529 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.403 10.555 11.080 1.00 0.00 H new ATOM 938 N THR A 59 -5.105 8.587 6.955 1.00 0.00 N ATOM 939 CA THR A 59 -5.840 8.914 5.750 1.00 0.00 C ATOM 940 C THR A 59 -6.533 7.684 5.151 1.00 0.00 C ATOM 941 O THR A 59 -7.740 7.697 4.916 1.00 0.00 O ATOM 942 CB THR A 59 -4.899 9.535 4.700 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.084 10.544 5.316 1.00 0.00 O ATOM 944 CG2 THR A 59 -5.694 10.147 3.557 1.00 0.00 C ATOM 0 H THR A 59 -4.171 8.212 6.790 1.00 0.00 H new ATOM 0 HA THR A 59 -6.609 9.635 6.027 1.00 0.00 H new ATOM 0 HB THR A 59 -4.263 8.747 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.486 10.935 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.009 10.579 2.828 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.295 9.374 3.077 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.349 10.926 3.946 1.00 0.00 H new ATOM 952 N TYR A 60 -5.772 6.622 4.918 1.00 0.00 N ATOM 953 CA TYR A 60 -6.280 5.463 4.192 1.00 0.00 C ATOM 954 C TYR A 60 -6.522 4.277 5.122 1.00 0.00 C ATOM 955 O TYR A 60 -6.633 3.150 4.662 1.00 0.00 O ATOM 956 CB TYR A 60 -5.297 5.046 3.092 1.00 0.00 C ATOM 957 CG TYR A 60 -4.846 6.182 2.199 1.00 0.00 C ATOM 958 CD1 TYR A 60 -5.678 6.690 1.207 1.00 0.00 C ATOM 959 CD2 TYR A 60 -3.584 6.745 2.346 1.00 0.00 C ATOM 960 CE1 TYR A 60 -5.263 7.723 0.386 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.163 7.777 1.529 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.007 8.264 0.554 1.00 0.00 C ATOM 963 OH TYR A 60 -3.592 9.292 -0.262 1.00 0.00 O ATOM 0 H TYR A 60 -4.802 6.538 5.221 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.231 5.754 3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.421 4.594 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.764 4.278 2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.665 6.271 1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.921 6.370 3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.920 8.103 -0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.177 8.200 1.654 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.683 9.561 -0.013 1.00 0.00 H new ATOM 973 N GLY A 61 -6.578 4.544 6.428 1.00 0.00 N ATOM 974 CA GLY A 61 -6.614 3.477 7.419 1.00 0.00 C ATOM 975 C GLY A 61 -7.744 2.484 7.236 1.00 0.00 C ATOM 976 O GLY A 61 -7.544 1.291 7.453 1.00 0.00 O ATOM 0 H GLY A 61 -6.599 5.486 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.667 2.939 7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.696 3.922 8.410 1.00 0.00 H new ATOM 980 N LEU A 62 -8.914 2.980 6.825 1.00 0.00 N ATOM 981 CA LEU A 62 -10.138 2.165 6.707 1.00 0.00 C ATOM 982 C LEU A 62 -10.391 1.374 7.991 1.00 0.00 C ATOM 983 O LEU A 62 -11.024 1.856 8.933 1.00 0.00 O ATOM 984 CB LEU A 62 -10.072 1.175 5.528 1.00 0.00 C ATOM 985 CG LEU A 62 -9.036 1.472 4.443 1.00 0.00 C ATOM 986 CD1 LEU A 62 -7.966 0.391 4.422 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.698 1.573 3.086 1.00 0.00 C ATOM 0 H LEU A 62 -9.045 3.957 6.563 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.954 2.866 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.871 0.181 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.055 1.137 5.059 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.566 2.428 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.236 0.617 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.466 0.355 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.428 -0.575 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.944 1.785 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.193 0.631 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.434 2.376 3.099 1.00 0.00 H new ATOM 999 N SER A 63 -9.878 0.155 8.002 1.00 0.00 N ATOM 1000 CA SER A 63 -9.932 -0.718 9.155 1.00 0.00 C ATOM 1001 C SER A 63 -8.626 -1.499 9.220 1.00 0.00 C ATOM 1002 O SER A 63 -8.040 -1.808 8.182 1.00 0.00 O ATOM 1003 CB SER A 63 -11.125 -1.669 9.049 1.00 0.00 C ATOM 1004 OG SER A 63 -12.338 -0.951 8.864 1.00 0.00 O ATOM 0 H SER A 63 -9.407 -0.259 7.198 1.00 0.00 H new ATOM 0 HA SER A 63 -10.059 -0.131 10.065 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.974 -2.355 8.215 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.192 -2.275 9.952 1.00 0.00 H new ATOM 0 HG SER A 63 -13.085 -1.582 8.798 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.164 -1.812 10.423 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.865 -2.456 10.582 1.00 0.00 C ATOM 1012 C ASP A 64 -6.841 -3.805 9.877 1.00 0.00 C ATOM 1013 O ASP A 64 -5.924 -4.098 9.109 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.517 -2.632 12.059 1.00 0.00 C ATOM 1015 CG ASP A 64 -5.068 -3.038 12.253 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -4.176 -2.256 11.864 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -4.814 -4.123 12.812 1.00 0.00 O ATOM 0 H ASP A 64 -8.662 -1.633 11.295 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.117 -1.808 10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.707 -1.700 12.591 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.168 -3.388 12.498 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.869 -4.606 10.123 1.00 0.00 N ATOM 1023 CA GLU A 65 -8.003 -5.915 9.493 1.00 0.00 C ATOM 1024 C GLU A 65 -8.040 -5.779 7.969 1.00 0.00 C ATOM 1025 O GLU A 65 -7.456 -6.589 7.249 1.00 0.00 O ATOM 1026 CB GLU A 65 -9.275 -6.604 9.997 1.00 0.00 C ATOM 1027 CG GLU A 65 -9.489 -8.007 9.452 1.00 0.00 C ATOM 1028 CD GLU A 65 -10.802 -8.608 9.910 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -11.829 -8.383 9.237 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -10.819 -9.304 10.949 1.00 0.00 O ATOM 0 H GLU A 65 -8.630 -4.370 10.760 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.138 -6.523 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.240 -6.652 11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.135 -5.990 9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.465 -7.979 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.667 -8.648 9.772 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.706 -4.728 7.497 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.835 -4.459 6.068 1.00 0.00 C ATOM 1039 C GLU A 66 -7.462 -4.292 5.418 1.00 0.00 C ATOM 1040 O GLU A 66 -7.078 -5.081 4.561 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.673 -3.192 5.856 1.00 0.00 C ATOM 1042 CG GLU A 66 -9.859 -2.799 4.398 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.731 -3.763 3.619 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.969 -3.698 3.761 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.191 -4.566 2.831 1.00 0.00 O ATOM 0 H GLU A 66 -9.170 -4.041 8.092 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.333 -5.308 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.654 -3.340 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.200 -2.365 6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.300 -1.803 4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.882 -2.737 3.919 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.721 -3.285 5.864 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.445 -2.931 5.250 1.00 0.00 C ATOM 1054 C PHE A 67 -4.461 -4.099 5.326 1.00 0.00 C ATOM 1055 O PHE A 67 -3.761 -4.402 4.357 1.00 0.00 O ATOM 1056 CB PHE A 67 -4.852 -1.698 5.940 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.720 -1.063 5.178 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.426 -1.554 5.278 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -3.955 0.029 4.355 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.391 -0.970 4.576 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -2.920 0.619 3.651 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.637 0.117 3.760 1.00 0.00 C ATOM 0 H PHE A 67 -6.983 -2.695 6.654 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.623 -2.701 4.200 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.640 -0.959 6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.497 -1.983 6.930 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.226 -2.404 5.913 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.956 0.423 4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.389 -1.363 4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.115 1.471 3.017 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.829 0.574 3.208 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.422 -4.766 6.477 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.510 -5.892 6.675 1.00 0.00 C ATOM 1074 C ASN A 68 -3.872 -7.053 5.760 1.00 0.00 C ATOM 1075 O ASN A 68 -2.998 -7.807 5.326 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.509 -6.362 8.135 1.00 0.00 C ATOM 1077 CG ASN A 68 -2.691 -5.464 9.045 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -1.478 -5.634 9.177 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -3.347 -4.517 9.690 1.00 0.00 N ATOM 0 H ASN A 68 -5.008 -4.549 7.283 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.508 -5.544 6.424 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.536 -6.401 8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.114 -7.377 8.184 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.849 -3.893 10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.352 -4.409 9.553 1.00 0.00 H new ATOM 1086 N SER A 69 -5.156 -7.179 5.449 1.00 0.00 N ATOM 1087 CA SER A 69 -5.631 -8.246 4.579 1.00 0.00 C ATOM 1088 C SER A 69 -5.027 -8.115 3.181 1.00 0.00 C ATOM 1089 O SER A 69 -4.764 -9.120 2.520 1.00 0.00 O ATOM 1090 CB SER A 69 -7.164 -8.232 4.504 1.00 0.00 C ATOM 1091 OG SER A 69 -7.664 -9.302 3.713 1.00 0.00 O ATOM 0 H SER A 69 -5.888 -6.554 5.787 1.00 0.00 H new ATOM 0 HA SER A 69 -5.311 -9.199 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.578 -8.300 5.510 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.499 -7.283 4.085 1.00 0.00 H new ATOM 0 HG SER A 69 -8.643 -9.262 3.689 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.787 -6.882 2.744 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.248 -6.643 1.410 1.00 0.00 C ATOM 1099 C TRP A 70 -2.810 -7.139 1.333 1.00 0.00 C ATOM 1100 O TRP A 70 -2.439 -7.878 0.419 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.298 -5.152 1.056 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.635 -4.510 1.277 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.811 -5.132 1.577 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -5.934 -3.110 1.210 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.810 -4.210 1.729 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.301 -2.962 1.496 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.179 -1.969 0.936 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -7.927 -1.722 1.526 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.802 -0.737 0.963 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.164 -0.623 1.253 1.00 0.00 C ATOM 0 H TRP A 70 -4.956 -6.038 3.291 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.861 -7.189 0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.552 -4.624 1.650 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.017 -5.029 0.010 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.936 -6.200 1.680 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.777 -4.419 1.976 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.127 -2.048 0.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.978 -1.631 1.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.227 0.153 0.756 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.623 0.355 1.261 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.010 -6.742 2.313 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.612 -7.144 2.370 1.00 0.00 C ATOM 1123 C VAL A 71 -0.497 -8.653 2.556 1.00 0.00 C ATOM 1124 O VAL A 71 0.365 -9.300 1.965 1.00 0.00 O ATOM 1125 CB VAL A 71 0.137 -6.437 3.518 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.623 -6.750 3.473 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.093 -4.933 3.472 1.00 0.00 C ATOM 0 H VAL A 71 -2.307 -6.140 3.081 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.155 -6.852 1.424 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.262 -6.816 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.127 -6.239 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.771 -7.826 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.038 -6.410 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.446 -4.457 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.269 -4.538 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.159 -4.725 3.569 1.00 0.00 H new ATOM 1137 N SER A 72 -1.390 -9.209 3.367 1.00 0.00 N ATOM 1138 CA SER A 72 -1.390 -10.637 3.648 1.00 0.00 C ATOM 1139 C SER A 72 -1.635 -11.443 2.376 1.00 0.00 C ATOM 1140 O SER A 72 -1.086 -12.532 2.207 1.00 0.00 O ATOM 1141 CB SER A 72 -2.451 -10.967 4.698 1.00 0.00 C ATOM 1142 OG SER A 72 -2.408 -12.335 5.065 1.00 0.00 O ATOM 0 H SER A 72 -2.126 -8.688 3.843 1.00 0.00 H new ATOM 0 HA SER A 72 -0.409 -10.909 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.296 -10.347 5.581 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.439 -10.725 4.307 1.00 0.00 H new ATOM 0 HG SER A 72 -3.097 -12.515 5.739 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.448 -10.901 1.476 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.738 -11.571 0.216 1.00 0.00 C ATOM 1150 C ALA A 73 -1.533 -11.494 -0.712 1.00 0.00 C ATOM 1151 O ALA A 73 -1.260 -12.416 -1.479 1.00 0.00 O ATOM 1152 CB ALA A 73 -3.962 -10.957 -0.443 1.00 0.00 C ATOM 0 H ALA A 73 -2.916 -10.003 1.596 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.950 -12.620 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.165 -11.470 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.822 -11.060 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.779 -9.900 -0.638 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.800 -10.394 -0.605 1.00 0.00 N ATOM 1159 CA LEU A 74 0.390 -10.168 -1.413 1.00 0.00 C ATOM 1160 C LEU A 74 1.578 -10.933 -0.845 1.00 0.00 C ATOM 1161 O LEU A 74 2.628 -11.045 -1.479 1.00 0.00 O ATOM 1162 CB LEU A 74 0.695 -8.673 -1.471 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.366 -7.844 -2.198 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.061 -6.362 -2.077 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.451 -8.262 -3.660 1.00 0.00 C ATOM 0 H LEU A 74 -1.013 -9.635 0.043 1.00 0.00 H new ATOM 0 HA LEU A 74 0.205 -10.533 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.801 -8.296 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.655 -8.528 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.333 -8.029 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.827 -5.789 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.051 -6.077 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.913 -6.154 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.210 -7.665 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.515 -8.104 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.719 -9.317 -3.722 1.00 0.00 H new ATOM 1177 N ALA A 75 1.392 -11.462 0.356 1.00 0.00 N ATOM 1178 CA ALA A 75 2.418 -12.241 1.027 1.00 0.00 C ATOM 1179 C ALA A 75 2.185 -13.734 0.821 1.00 0.00 C ATOM 1180 O ALA A 75 2.863 -14.561 1.441 1.00 0.00 O ATOM 1181 CB ALA A 75 2.444 -11.907 2.512 1.00 0.00 C ATOM 0 H ALA A 75 0.528 -11.363 0.889 1.00 0.00 H new ATOM 0 HA ALA A 75 3.384 -11.985 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.217 -12.497 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.659 -10.846 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.475 -12.138 2.954 1.00 0.00 H new ATOM 1187 N GLU A 76 1.209 -14.066 -0.030 1.00 0.00 N ATOM 1188 CA GLU A 76 0.813 -15.453 -0.281 1.00 0.00 C ATOM 1189 C GLU A 76 0.109 -16.021 0.951 1.00 0.00 C ATOM 1190 O GLU A 76 -1.119 -16.026 1.025 1.00 0.00 O ATOM 1191 CB GLU A 76 2.026 -16.314 -0.689 1.00 0.00 C ATOM 1192 CG GLU A 76 1.735 -17.802 -0.833 1.00 0.00 C ATOM 1193 CD GLU A 76 0.743 -18.120 -1.935 1.00 0.00 C ATOM 1194 OE1 GLU A 76 -0.471 -17.970 -1.710 1.00 0.00 O ATOM 1195 OE2 GLU A 76 1.181 -18.554 -3.023 1.00 0.00 O ATOM 0 H GLU A 76 0.673 -13.381 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 76 0.114 -15.474 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.416 -15.941 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.813 -16.182 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.668 -18.329 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.349 -18.182 0.113 1.00 0.00 H new ATOM 1202 N HIS A 77 0.887 -16.471 1.925 1.00 0.00 N ATOM 1203 CA HIS A 77 0.331 -16.970 3.178 1.00 0.00 C ATOM 1204 C HIS A 77 1.112 -16.413 4.362 1.00 0.00 C ATOM 1205 O HIS A 77 0.766 -16.664 5.514 1.00 0.00 O ATOM 1206 CB HIS A 77 0.353 -18.506 3.227 1.00 0.00 C ATOM 1207 CG HIS A 77 -0.366 -19.169 2.089 1.00 0.00 C ATOM 1208 ND1 HIS A 77 -1.698 -18.965 1.816 1.00 0.00 N ATOM 1209 CD2 HIS A 77 0.084 -20.014 1.133 1.00 0.00 C ATOM 1210 CE1 HIS A 77 -2.037 -19.654 0.743 1.00 0.00 C ATOM 1211 NE2 HIS A 77 -0.971 -20.300 0.304 1.00 0.00 N ATOM 0 H HIS A 77 1.905 -16.502 1.873 1.00 0.00 H new ATOM 0 HA HIS A 77 -0.705 -16.637 3.235 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.390 -18.843 3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -0.094 -18.835 4.165 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.091 -20.394 1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.021 -19.685 0.298 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.938 -20.909 -0.514 1.00 0.00 H new ATOM 1220 N GLY A 78 2.159 -15.646 4.071 1.00 0.00 N ATOM 1221 CA GLY A 78 3.024 -15.130 5.113 1.00 0.00 C ATOM 1222 C GLY A 78 3.892 -16.211 5.723 1.00 0.00 C ATOM 1223 O GLY A 78 5.057 -16.359 5.347 1.00 0.00 O ATOM 0 H GLY A 78 2.423 -15.372 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.659 -14.346 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.417 -14.671 5.893 1.00 0.00 H new ATOM 1227 N LYS A 79 3.305 -16.953 6.664 1.00 0.00 N ATOM 1228 CA LYS A 79 3.938 -18.088 7.341 1.00 0.00 C ATOM 1229 C LYS A 79 5.051 -17.632 8.277 1.00 0.00 C ATOM 1230 O LYS A 79 4.940 -17.747 9.500 1.00 0.00 O ATOM 1231 CB LYS A 79 4.483 -19.104 6.330 1.00 0.00 C ATOM 1232 CG LYS A 79 4.938 -20.406 6.971 1.00 0.00 C ATOM 1233 CD LYS A 79 5.619 -21.325 5.969 1.00 0.00 C ATOM 1234 CE LYS A 79 5.911 -22.684 6.582 1.00 0.00 C ATOM 1235 NZ LYS A 79 6.770 -23.520 5.706 1.00 0.00 N ATOM 0 H LYS A 79 2.353 -16.777 6.985 1.00 0.00 H new ATOM 0 HA LYS A 79 3.167 -18.573 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.711 -19.321 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.321 -18.659 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.625 -20.187 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.078 -20.916 7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.983 -21.447 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.548 -20.870 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.401 -22.548 7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.972 -23.205 6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.944 -24.438 6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.293 -23.672 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.677 -23.036 5.545 1.00 0.00 H new ATOM 1249 N ASP A 80 6.103 -17.097 7.693 1.00 0.00 N ATOM 1250 CA ASP A 80 7.295 -16.718 8.443 1.00 0.00 C ATOM 1251 C ASP A 80 7.311 -15.228 8.743 1.00 0.00 C ATOM 1252 O ASP A 80 7.763 -14.817 9.815 1.00 0.00 O ATOM 1253 CB ASP A 80 8.571 -17.117 7.687 1.00 0.00 C ATOM 1254 CG ASP A 80 8.618 -16.591 6.263 1.00 0.00 C ATOM 1255 OD1 ASP A 80 8.958 -15.403 6.066 1.00 0.00 O ATOM 1256 OD2 ASP A 80 8.308 -17.364 5.337 1.00 0.00 O ATOM 0 H ASP A 80 6.162 -16.911 6.692 1.00 0.00 H new ATOM 0 HA ASP A 80 7.267 -17.257 9.390 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.439 -16.746 8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.648 -18.204 7.668 1.00 0.00 H new ATOM 1261 N ALA A 81 6.819 -14.429 7.792 1.00 0.00 N ATOM 1262 CA ALA A 81 6.800 -12.970 7.915 1.00 0.00 C ATOM 1263 C ALA A 81 8.221 -12.407 7.968 1.00 0.00 C ATOM 1264 O ALA A 81 8.442 -11.278 8.409 1.00 0.00 O ATOM 1265 CB ALA A 81 5.996 -12.535 9.137 1.00 0.00 C ATOM 0 H ALA A 81 6.424 -14.775 6.918 1.00 0.00 H new ATOM 0 HA ALA A 81 6.310 -12.565 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.998 -11.447 9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.970 -12.891 9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.445 -12.956 10.037 1.00 0.00 H new ATOM 1271 N LEU A 82 9.179 -13.194 7.494 1.00 0.00 N ATOM 1272 CA LEU A 82 10.580 -12.800 7.502 1.00 0.00 C ATOM 1273 C LEU A 82 11.058 -12.499 6.089 1.00 0.00 C ATOM 1274 O LEU A 82 11.913 -11.638 5.879 1.00 0.00 O ATOM 1275 CB LEU A 82 11.440 -13.912 8.112 1.00 0.00 C ATOM 1276 CG LEU A 82 11.129 -14.259 9.570 1.00 0.00 C ATOM 1277 CD1 LEU A 82 11.940 -15.471 10.004 1.00 0.00 C ATOM 1278 CD2 LEU A 82 11.418 -13.068 10.473 1.00 0.00 C ATOM 0 H LEU A 82 9.007 -14.117 7.096 1.00 0.00 H new ATOM 0 HA LEU A 82 10.679 -11.899 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.321 -14.812 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.487 -13.618 8.042 1.00 0.00 H new ATOM 0 HG LEU A 82 10.070 -14.502 9.655 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.711 -15.709 11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.688 -16.323 9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.003 -15.251 9.908 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.192 -13.331 11.506 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.470 -12.795 10.390 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.799 -12.223 10.170 1.00 0.00 H new ATOM 1290 N LYS A 83 10.510 -13.223 5.121 1.00 0.00 N ATOM 1291 CA LYS A 83 10.898 -13.051 3.727 1.00 0.00 C ATOM 1292 C LYS A 83 9.834 -12.278 2.952 1.00 0.00 C ATOM 1293 O LYS A 83 9.931 -12.120 1.737 1.00 0.00 O ATOM 1294 CB LYS A 83 11.134 -14.417 3.072 1.00 0.00 C ATOM 1295 CG LYS A 83 9.861 -15.214 2.819 1.00 0.00 C ATOM 1296 CD LYS A 83 10.171 -16.608 2.300 1.00 0.00 C ATOM 1297 CE LYS A 83 8.917 -17.321 1.818 1.00 0.00 C ATOM 1298 NZ LYS A 83 7.835 -17.317 2.837 1.00 0.00 N ATOM 0 H LYS A 83 9.796 -13.935 5.276 1.00 0.00 H new ATOM 0 HA LYS A 83 11.824 -12.476 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.651 -14.269 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.797 -15.003 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.287 -15.288 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.237 -14.686 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.888 -16.541 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.642 -17.194 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.557 -16.841 0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.165 -18.350 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.220 -18.143 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.254 -17.358 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.273 -16.447 2.743 1.00 0.00 H new ATOM 1312 N VAL A 84 8.822 -11.796 3.665 1.00 0.00 N ATOM 1313 CA VAL A 84 7.735 -11.045 3.041 1.00 0.00 C ATOM 1314 C VAL A 84 8.250 -9.714 2.506 1.00 0.00 C ATOM 1315 O VAL A 84 8.519 -8.797 3.279 1.00 0.00 O ATOM 1316 CB VAL A 84 6.579 -10.794 4.033 1.00 0.00 C ATOM 1317 CG1 VAL A 84 5.469 -9.982 3.380 1.00 0.00 C ATOM 1318 CG2 VAL A 84 6.036 -12.113 4.568 1.00 0.00 C ATOM 0 H VAL A 84 8.730 -11.911 4.674 1.00 0.00 H new ATOM 0 HA VAL A 84 7.352 -11.645 2.215 1.00 0.00 H new ATOM 0 HB VAL A 84 6.971 -10.218 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.666 -9.819 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.865 -9.020 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.079 -10.525 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.222 -11.915 5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.665 -12.717 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.832 -12.652 5.082 1.00 0.00 H new ATOM 1328 N THR A 85 8.383 -9.632 1.185 1.00 0.00 N ATOM 1329 CA THR A 85 8.968 -8.478 0.506 1.00 0.00 C ATOM 1330 C THR A 85 8.440 -7.143 1.039 1.00 0.00 C ATOM 1331 O THR A 85 9.209 -6.327 1.546 1.00 0.00 O ATOM 1332 CB THR A 85 8.695 -8.557 -1.010 1.00 0.00 C ATOM 1333 OG1 THR A 85 8.898 -9.903 -1.467 1.00 0.00 O ATOM 1334 CG2 THR A 85 9.611 -7.610 -1.772 1.00 0.00 C ATOM 0 H THR A 85 8.085 -10.372 0.549 1.00 0.00 H new ATOM 0 HA THR A 85 10.039 -8.514 0.704 1.00 0.00 H new ATOM 0 HB THR A 85 7.662 -8.261 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.722 -9.952 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.402 -7.682 -2.839 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.438 -6.588 -1.436 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.650 -7.882 -1.587 1.00 0.00 H new ATOM 1342 N ALA A 86 7.130 -6.941 0.947 1.00 0.00 N ATOM 1343 CA ALA A 86 6.511 -5.666 1.314 1.00 0.00 C ATOM 1344 C ALA A 86 6.804 -5.274 2.764 1.00 0.00 C ATOM 1345 O ALA A 86 6.971 -4.096 3.075 1.00 0.00 O ATOM 1346 CB ALA A 86 5.009 -5.734 1.083 1.00 0.00 C ATOM 0 H ALA A 86 6.470 -7.647 0.620 1.00 0.00 H new ATOM 0 HA ALA A 86 6.947 -4.896 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.555 -4.782 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.812 -5.939 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.583 -6.529 1.694 1.00 0.00 H new ATOM 1352 N LEU A 87 6.906 -6.265 3.637 1.00 0.00 N ATOM 1353 CA LEU A 87 7.059 -6.008 5.062 1.00 0.00 C ATOM 1354 C LEU A 87 8.537 -5.905 5.402 1.00 0.00 C ATOM 1355 O LEU A 87 8.958 -5.023 6.152 1.00 0.00 O ATOM 1356 CB LEU A 87 6.380 -7.130 5.874 1.00 0.00 C ATOM 1357 CG LEU A 87 6.171 -6.866 7.376 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.473 -7.002 8.152 1.00 0.00 C ATOM 1359 CD2 LEU A 87 5.563 -5.487 7.596 1.00 0.00 C ATOM 0 H LEU A 87 6.886 -7.253 3.385 1.00 0.00 H new ATOM 0 HA LEU A 87 6.577 -5.065 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.408 -7.334 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.976 -8.036 5.767 1.00 0.00 H new ATOM 0 HG LEU A 87 5.479 -7.619 7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.289 -6.809 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.865 -8.012 8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.199 -6.283 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.422 -5.318 8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.231 -4.726 7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.600 -5.429 7.089 1.00 0.00 H new ATOM 1371 N LYS A 88 9.318 -6.803 4.823 1.00 0.00 N ATOM 1372 CA LYS A 88 10.754 -6.822 5.026 1.00 0.00 C ATOM 1373 C LYS A 88 11.360 -5.513 4.548 1.00 0.00 C ATOM 1374 O LYS A 88 12.265 -4.975 5.176 1.00 0.00 O ATOM 1375 CB LYS A 88 11.379 -7.996 4.274 1.00 0.00 C ATOM 1376 CG LYS A 88 12.834 -8.244 4.631 1.00 0.00 C ATOM 1377 CD LYS A 88 13.407 -9.382 3.804 1.00 0.00 C ATOM 1378 CE LYS A 88 14.726 -9.878 4.367 1.00 0.00 C ATOM 1379 NZ LYS A 88 14.540 -10.570 5.671 1.00 0.00 N ATOM 0 H LYS A 88 8.974 -7.535 4.202 1.00 0.00 H new ATOM 0 HA LYS A 88 10.959 -6.941 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.804 -8.898 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.303 -7.811 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.414 -7.337 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.917 -8.482 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.693 -10.205 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.553 -9.048 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.192 -10.560 3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.407 -9.037 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.230 -11.344 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.684 -9.893 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.576 -10.958 5.724 1.00 0.00 H new ATOM 1393 N LYS A 89 10.833 -4.991 3.445 1.00 0.00 N ATOM 1394 CA LYS A 89 11.312 -3.723 2.909 1.00 0.00 C ATOM 1395 C LYS A 89 10.815 -2.564 3.760 1.00 0.00 C ATOM 1396 O LYS A 89 11.548 -1.613 4.000 1.00 0.00 O ATOM 1397 CB LYS A 89 10.874 -3.536 1.453 1.00 0.00 C ATOM 1398 CG LYS A 89 11.507 -4.524 0.483 1.00 0.00 C ATOM 1399 CD LYS A 89 13.024 -4.426 0.487 1.00 0.00 C ATOM 1400 CE LYS A 89 13.636 -5.313 -0.586 1.00 0.00 C ATOM 1401 NZ LYS A 89 15.123 -5.277 -0.568 1.00 0.00 N ATOM 0 H LYS A 89 10.080 -5.423 2.909 1.00 0.00 H new ATOM 0 HA LYS A 89 12.402 -3.739 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.790 -3.631 1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.123 -2.523 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.208 -5.538 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.133 -4.335 -0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.324 -3.391 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.407 -4.717 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.298 -6.339 -0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.279 -4.994 -1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.494 -5.896 -1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.449 -4.303 -0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.467 -5.606 0.356 1.00 0.00 H new ATOM 1415 N TYR A 90 9.577 -2.660 4.233 1.00 0.00 N ATOM 1416 CA TYR A 90 9.003 -1.638 5.102 1.00 0.00 C ATOM 1417 C TYR A 90 9.801 -1.521 6.397 1.00 0.00 C ATOM 1418 O TYR A 90 9.898 -0.449 6.985 1.00 0.00 O ATOM 1419 CB TYR A 90 7.543 -1.975 5.412 1.00 0.00 C ATOM 1420 CG TYR A 90 6.801 -0.896 6.171 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.348 0.244 5.520 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.548 -1.019 7.531 1.00 0.00 C ATOM 1423 CE1 TYR A 90 5.666 1.232 6.202 1.00 0.00 C ATOM 1424 CE2 TYR A 90 5.863 -0.034 8.220 1.00 0.00 C ATOM 1425 CZ TYR A 90 5.426 1.090 7.550 1.00 0.00 C ATOM 1426 OH TYR A 90 4.738 2.070 8.230 1.00 0.00 O ATOM 0 H TYR A 90 8.950 -3.438 4.028 1.00 0.00 H new ATOM 0 HA TYR A 90 9.046 -0.680 4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.020 -2.168 4.475 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.511 -2.898 5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.532 0.360 4.462 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.891 -1.897 8.059 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.322 2.113 5.680 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.671 -0.144 9.277 1.00 0.00 H new ATOM 0 HH TYR A 90 4.652 1.816 9.173 1.00 0.00 H new ATOM 1436 N ARG A 91 10.376 -2.629 6.834 1.00 0.00 N ATOM 1437 CA ARG A 91 11.142 -2.643 8.066 1.00 0.00 C ATOM 1438 C ARG A 91 12.611 -2.318 7.801 1.00 0.00 C ATOM 1439 O ARG A 91 13.231 -1.575 8.557 1.00 0.00 O ATOM 1440 CB ARG A 91 10.992 -3.999 8.760 1.00 0.00 C ATOM 1441 CG ARG A 91 11.592 -4.047 10.156 1.00 0.00 C ATOM 1442 CD ARG A 91 11.070 -5.243 10.938 1.00 0.00 C ATOM 1443 NE ARG A 91 9.624 -5.157 11.159 1.00 0.00 N ATOM 1444 CZ ARG A 91 8.923 -6.023 11.890 1.00 0.00 C ATOM 1445 NH1 ARG A 91 9.525 -7.055 12.475 1.00 0.00 N ATOM 1446 NH2 ARG A 91 7.613 -5.857 12.029 1.00 0.00 N ATOM 0 H ARG A 91 10.326 -3.528 6.354 1.00 0.00 H new ATOM 0 HA ARG A 91 10.751 -1.871 8.729 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.933 -4.249 8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.465 -4.765 8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.678 -4.101 10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.352 -3.127 10.690 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.301 -6.161 10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.582 -5.301 11.898 1.00 0.00 H new ATOM 0 HE ARG A 91 9.121 -4.383 10.725 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.530 -7.188 12.366 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.981 -7.713 13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.148 -5.070 11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.072 -6.517 12.587 1.00 0.00 H new ATOM 1460 N GLN A 92 13.161 -2.861 6.715 1.00 0.00 N ATOM 1461 CA GLN A 92 14.558 -2.615 6.356 1.00 0.00 C ATOM 1462 C GLN A 92 14.770 -1.173 5.887 1.00 0.00 C ATOM 1463 O GLN A 92 15.867 -0.630 5.997 1.00 0.00 O ATOM 1464 CB GLN A 92 15.011 -3.602 5.275 1.00 0.00 C ATOM 1465 CG GLN A 92 16.492 -3.516 4.933 1.00 0.00 C ATOM 1466 CD GLN A 92 16.932 -4.622 3.992 1.00 0.00 C ATOM 1467 OE1 GLN A 92 16.894 -4.472 2.770 1.00 0.00 O ATOM 1468 NE2 GLN A 92 17.352 -5.746 4.556 1.00 0.00 N ATOM 0 H GLN A 92 12.662 -3.473 6.070 1.00 0.00 H new ATOM 0 HA GLN A 92 15.165 -2.766 7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.784 -4.615 5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.430 -3.425 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.701 -2.549 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.078 -3.568 5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.369 -5.831 5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.659 -6.525 3.974 1.00 0.00 H new ATOM 1477 N LEU A 93 13.718 -0.557 5.362 1.00 0.00 N ATOM 1478 CA LEU A 93 13.786 0.841 4.940 1.00 0.00 C ATOM 1479 C LEU A 93 13.822 1.761 6.160 1.00 0.00 C ATOM 1480 O LEU A 93 14.181 2.936 6.067 1.00 0.00 O ATOM 1481 CB LEU A 93 12.589 1.175 4.046 1.00 0.00 C ATOM 1482 CG LEU A 93 12.548 2.606 3.507 1.00 0.00 C ATOM 1483 CD1 LEU A 93 13.739 2.871 2.600 1.00 0.00 C ATOM 1484 CD2 LEU A 93 11.242 2.858 2.766 1.00 0.00 C ATOM 0 H LEU A 93 12.810 -0.999 5.218 1.00 0.00 H new ATOM 0 HA LEU A 93 14.701 0.996 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.586 0.487 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.674 0.991 4.610 1.00 0.00 H new ATOM 0 HG LEU A 93 12.603 3.294 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.692 3.894 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.662 2.732 3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.718 2.177 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.229 3.881 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.157 2.162 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.403 2.712 3.447 1.00 0.00 H new ATOM 1496 N LEU A 94 13.450 1.209 7.306 1.00 0.00 N ATOM 1497 CA LEU A 94 13.501 1.933 8.570 1.00 0.00 C ATOM 1498 C LEU A 94 14.682 1.438 9.402 1.00 0.00 C ATOM 1499 O LEU A 94 14.592 1.318 10.627 1.00 0.00 O ATOM 1500 CB LEU A 94 12.185 1.762 9.345 1.00 0.00 C ATOM 1501 CG LEU A 94 11.029 2.689 8.929 1.00 0.00 C ATOM 1502 CD1 LEU A 94 10.570 2.412 7.504 1.00 0.00 C ATOM 1503 CD2 LEU A 94 9.862 2.545 9.897 1.00 0.00 C ATOM 0 H LEU A 94 13.106 0.252 7.387 1.00 0.00 H new ATOM 0 HA LEU A 94 13.635 2.995 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.854 0.730 9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.388 1.920 10.404 1.00 0.00 H new ATOM 0 HG LEU A 94 11.398 3.714 8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.753 3.086 7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.401 2.571 6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.227 1.380 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.051 3.206 9.591 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.510 1.513 9.892 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.188 2.812 10.902 1.00 0.00 H new ATOM 1515 N GLU A 95 15.788 1.160 8.718 1.00 0.00 N ATOM 1516 CA GLU A 95 17.005 0.669 9.354 1.00 0.00 C ATOM 1517 C GLU A 95 17.544 1.639 10.399 1.00 0.00 C ATOM 1518 O GLU A 95 17.235 2.833 10.388 1.00 0.00 O ATOM 1519 CB GLU A 95 18.080 0.419 8.301 1.00 0.00 C ATOM 1520 CG GLU A 95 18.334 -1.049 8.027 1.00 0.00 C ATOM 1521 CD GLU A 95 18.868 -1.785 9.239 1.00 0.00 C ATOM 1522 OE1 GLU A 95 19.362 -1.123 10.182 1.00 0.00 O ATOM 1523 OE2 GLU A 95 18.823 -3.030 9.243 1.00 0.00 O ATOM 0 H GLU A 95 15.865 1.269 7.707 1.00 0.00 H new ATOM 0 HA GLU A 95 16.748 -0.261 9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 95 17.787 0.907 7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.010 0.885 8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.407 -1.519 7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.045 -1.144 7.207 1.00 0.00 H new ATOM 1530 N HIS A 96 18.379 1.120 11.289 1.00 0.00 N ATOM 1531 CA HIS A 96 18.935 1.930 12.360 1.00 0.00 C ATOM 1532 C HIS A 96 20.367 2.345 12.032 1.00 0.00 C ATOM 1533 O HIS A 96 20.952 3.182 12.716 1.00 0.00 O ATOM 1534 CB HIS A 96 18.888 1.187 13.694 1.00 0.00 C ATOM 1535 CG HIS A 96 18.636 2.101 14.853 1.00 0.00 C ATOM 1536 ND1 HIS A 96 18.136 1.673 16.057 1.00 0.00 N ATOM 1537 CD2 HIS A 96 18.792 3.439 14.971 1.00 0.00 C ATOM 1538 CE1 HIS A 96 17.990 2.706 16.861 1.00 0.00 C ATOM 1539 NE2 HIS A 96 18.383 3.793 16.226 1.00 0.00 N ATOM 0 H HIS A 96 18.684 0.147 11.290 1.00 0.00 H new ATOM 0 HA HIS A 96 18.324 2.828 12.451 1.00 0.00 H new ATOM 0 HB2 HIS A 96 18.105 0.429 13.656 1.00 0.00 H new ATOM 0 HB3 HIS A 96 19.831 0.663 13.847 1.00 0.00 H new ATOM 0 HD2 HIS A 96 19.171 4.107 14.211 1.00 0.00 H new ATOM 0 HE1 HIS A 96 17.612 2.669 17.872 1.00 0.00 H new ATOM 0 HE2 HIS A 96 18.382 4.739 16.607 1.00 0.00 H new ATOM 1548 N HIS A 97 20.942 1.746 10.999 1.00 0.00 N ATOM 1549 CA HIS A 97 22.193 2.255 10.456 1.00 0.00 C ATOM 1550 C HIS A 97 21.882 3.145 9.260 1.00 0.00 C ATOM 1551 O HIS A 97 21.863 2.709 8.112 1.00 0.00 O ATOM 1552 CB HIS A 97 23.203 1.138 10.109 1.00 0.00 C ATOM 1553 CG HIS A 97 22.655 -0.046 9.363 1.00 0.00 C ATOM 1554 ND1 HIS A 97 22.653 -1.315 9.894 1.00 0.00 N ATOM 1555 CD2 HIS A 97 22.153 -0.168 8.110 1.00 0.00 C ATOM 1556 CE1 HIS A 97 22.175 -2.165 9.005 1.00 0.00 C ATOM 1557 NE2 HIS A 97 21.864 -1.494 7.911 1.00 0.00 N ATOM 0 H HIS A 97 20.571 0.922 10.527 1.00 0.00 H new ATOM 0 HA HIS A 97 22.689 2.845 11.226 1.00 0.00 H new ATOM 0 HB2 HIS A 97 24.006 1.575 9.515 1.00 0.00 H new ATOM 0 HB3 HIS A 97 23.650 0.781 11.037 1.00 0.00 H new ATOM 0 HD2 HIS A 97 22.007 0.632 7.399 1.00 0.00 H new ATOM 0 HE1 HIS A 97 22.058 -3.229 9.148 1.00 0.00 H new ATOM 0 HE2 HIS A 97 21.473 -1.896 7.059 1.00 0.00 H new ATOM 1566 N HIS A 98 21.603 4.406 9.558 1.00 0.00 N ATOM 1567 CA HIS A 98 21.061 5.337 8.578 1.00 0.00 C ATOM 1568 C HIS A 98 22.125 5.788 7.575 1.00 0.00 C ATOM 1569 O HIS A 98 21.816 6.445 6.581 1.00 0.00 O ATOM 1570 CB HIS A 98 20.469 6.546 9.303 1.00 0.00 C ATOM 1571 CG HIS A 98 19.330 7.194 8.585 1.00 0.00 C ATOM 1572 ND1 HIS A 98 19.406 8.445 8.023 1.00 0.00 N ATOM 1573 CD2 HIS A 98 18.069 6.762 8.363 1.00 0.00 C ATOM 1574 CE1 HIS A 98 18.243 8.756 7.489 1.00 0.00 C ATOM 1575 NE2 HIS A 98 17.411 7.751 7.682 1.00 0.00 N ATOM 0 H HIS A 98 21.745 4.812 10.483 1.00 0.00 H new ATOM 0 HA HIS A 98 20.281 4.825 8.014 1.00 0.00 H new ATOM 0 HB2 HIS A 98 20.130 6.233 10.291 1.00 0.00 H new ATOM 0 HB3 HIS A 98 21.256 7.285 9.455 1.00 0.00 H new ATOM 0 HD2 HIS A 98 17.656 5.811 8.667 1.00 0.00 H new ATOM 0 HE1 HIS A 98 18.010 9.679 6.979 1.00 0.00 H new ATOM 0 HE2 HIS A 98 16.439 7.716 7.375 1.00 0.00 H new ATOM 1584 N HIS A 99 23.372 5.422 7.828 1.00 0.00 N ATOM 1585 CA HIS A 99 24.476 5.822 6.967 1.00 0.00 C ATOM 1586 C HIS A 99 25.038 4.596 6.243 1.00 0.00 C ATOM 1587 O HIS A 99 26.219 4.552 5.899 1.00 0.00 O ATOM 1588 CB HIS A 99 25.559 6.501 7.811 1.00 0.00 C ATOM 1589 CG HIS A 99 26.490 7.370 7.026 1.00 0.00 C ATOM 1590 ND1 HIS A 99 26.214 8.682 6.722 1.00 0.00 N ATOM 1591 CD2 HIS A 99 27.705 7.113 6.490 1.00 0.00 C ATOM 1592 CE1 HIS A 99 27.212 9.193 6.034 1.00 0.00 C ATOM 1593 NE2 HIS A 99 28.134 8.263 5.879 1.00 0.00 N ATOM 0 H HIS A 99 23.646 4.847 8.625 1.00 0.00 H new ATOM 0 HA HIS A 99 24.122 6.530 6.218 1.00 0.00 H new ATOM 0 HB2 HIS A 99 25.079 7.104 8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 99 26.140 5.734 8.323 1.00 0.00 H new ATOM 0 HD2 HIS A 99 28.239 6.175 6.535 1.00 0.00 H new ATOM 0 HE1 HIS A 99 27.267 10.204 5.659 1.00 0.00 H new ATOM 0 HE2 HIS A 99 29.019 8.380 5.386 1.00 0.00 H new ATOM 1602 N HIS A 100 24.161 3.615 6.007 1.00 0.00 N ATOM 1603 CA HIS A 100 24.532 2.326 5.401 1.00 0.00 C ATOM 1604 C HIS A 100 25.354 1.490 6.370 1.00 0.00 C ATOM 1605 O HIS A 100 24.900 0.453 6.850 1.00 0.00 O ATOM 1606 CB HIS A 100 25.309 2.497 4.086 1.00 0.00 C ATOM 1607 CG HIS A 100 24.469 2.929 2.927 1.00 0.00 C ATOM 1608 ND1 HIS A 100 24.730 4.061 2.192 1.00 0.00 N ATOM 1609 CD2 HIS A 100 23.385 2.353 2.357 1.00 0.00 C ATOM 1610 CE1 HIS A 100 23.842 4.166 1.221 1.00 0.00 C ATOM 1611 NE2 HIS A 100 23.013 3.143 1.296 1.00 0.00 N ATOM 0 H HIS A 100 23.169 3.690 6.231 1.00 0.00 H new ATOM 0 HA HIS A 100 23.598 1.812 5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 100 26.101 3.230 4.238 1.00 0.00 H new ATOM 0 HB3 HIS A 100 25.792 1.552 3.837 1.00 0.00 H new ATOM 0 HD2 HIS A 100 22.902 1.442 2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 100 23.801 4.958 0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 100 22.227 2.967 0.671 1.00 0.00 H new ATOM 1620 N HIS A 101 26.554 1.952 6.661 1.00 0.00 N ATOM 1621 CA HIS A 101 27.449 1.251 7.558 1.00 0.00 C ATOM 1622 C HIS A 101 28.166 2.256 8.449 1.00 0.00 C ATOM 1623 O HIS A 101 29.248 2.741 8.060 1.00 0.00 O ATOM 1624 CB HIS A 101 28.452 0.418 6.754 1.00 0.00 C ATOM 1625 CG HIS A 101 29.309 -0.478 7.594 1.00 0.00 C ATOM 1626 ND1 HIS A 101 30.672 -0.323 7.706 1.00 0.00 N ATOM 1627 CD2 HIS A 101 28.993 -1.558 8.345 1.00 0.00 C ATOM 1628 CE1 HIS A 101 31.159 -1.270 8.484 1.00 0.00 C ATOM 1629 NE2 HIS A 101 30.161 -2.036 8.886 1.00 0.00 N ATOM 1630 OXT HIS A 101 27.618 2.590 9.521 1.00 0.00 O ATOM 0 H HIS A 101 26.934 2.820 6.284 1.00 0.00 H new ATOM 0 HA HIS A 101 26.875 0.573 8.190 1.00 0.00 H new ATOM 0 HB2 HIS A 101 27.908 -0.190 6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 101 29.095 1.090 6.186 1.00 0.00 H new ATOM 0 HD2 HIS A 101 28.005 -1.968 8.492 1.00 0.00 H new ATOM 0 HE1 HIS A 101 32.198 -1.398 8.748 1.00 0.00 H new ATOM 0 HE2 HIS A 101 30.244 -2.848 9.497 1.00 0.00 H new TER 1639 HIS A 101