USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 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 3 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 125:sc= 0.308 USER MOD Single : A 10 GLN : amide:sc= -0.327 K(o=-0.33,f=-5.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.663 K(o=-0.66,f=-6.2!) USER MOD Single : A 38 ASN : amide:sc= -2.12 K(o=-2.1,f=-5.9!) USER MOD Single : A 39 MET CE :methyl -158:sc= -2.9 (180deg=-3.86!) USER MOD Single : A 43 HIS : no HD1:sc= -0.185 X(o=-0.19,f=-0.085) USER MOD Single : A 45 SER OG : rot 180:sc= -0.306 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -140:sc= -5.39! USER MOD Single : A 55 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-1.6) USER MOD Single : A 63 SER OG : rot 49:sc= 0.32 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.157 USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= 0.0742 (180deg=-0.0179) USER MOD Single : A 73 CYS SG : rot -134:sc= 0.107 USER MOD Single : A 75 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.1) USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= -0.0811 (180deg=-0.443) USER MOD Single : A 80 LYS NZ :NH3+ -146:sc= -1.06 (180deg=-1.43!) USER MOD Single : A 82 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.041) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= -0.0709 (180deg=-0.0709) USER MOD Single : A 84 ASN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.072 -2.595 -3.720 1.00 0.00 N ATOM 28 CA THR A 3 6.176 -2.481 -4.664 1.00 0.00 C ATOM 29 C THR A 3 7.520 -2.532 -3.947 1.00 0.00 C ATOM 30 O THR A 3 7.677 -2.030 -2.834 1.00 0.00 O ATOM 31 CB THR A 3 6.089 -1.174 -5.475 1.00 0.00 C ATOM 32 OG1 THR A 3 7.310 -0.959 -6.190 1.00 0.00 O ATOM 33 CG2 THR A 3 5.814 0.011 -4.562 1.00 0.00 C ATOM 0 HA THR A 3 6.098 -3.329 -5.345 1.00 0.00 H new ATOM 0 HB THR A 3 5.266 -1.265 -6.183 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.246 -0.127 -6.704 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.757 0.923 -5.157 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.869 -0.143 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.619 0.103 -3.833 1.00 0.00 H new ATOM 41 N PRO A 4 8.516 -3.153 -4.598 1.00 0.00 N ATOM 42 CA PRO A 4 9.866 -3.283 -4.042 1.00 0.00 C ATOM 43 C PRO A 4 10.601 -1.948 -3.988 1.00 0.00 C ATOM 44 O PRO A 4 11.169 -1.583 -2.958 1.00 0.00 O ATOM 45 CB PRO A 4 10.560 -4.237 -5.016 1.00 0.00 C ATOM 46 CG PRO A 4 9.827 -4.067 -6.301 1.00 0.00 C ATOM 47 CD PRO A 4 8.400 -3.774 -5.928 1.00 0.00 C ATOM 0 HA PRO A 4 9.851 -3.641 -3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.616 -3.990 -5.127 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.509 -5.268 -4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.252 -3.253 -6.888 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.894 -4.968 -6.911 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.927 -3.103 -6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.798 -4.682 -5.896 1.00 0.00 H new ATOM 55 N ARG A 5 10.588 -1.225 -5.102 1.00 0.00 N ATOM 56 CA ARG A 5 11.255 0.070 -5.181 1.00 0.00 C ATOM 57 C ARG A 5 10.590 0.961 -6.227 1.00 0.00 C ATOM 58 O ARG A 5 9.973 0.471 -7.173 1.00 0.00 O ATOM 59 CB ARG A 5 12.735 -0.116 -5.520 1.00 0.00 C ATOM 60 CG ARG A 5 13.630 -0.228 -4.296 1.00 0.00 C ATOM 61 CD ARG A 5 14.149 -1.646 -4.114 1.00 0.00 C ATOM 62 NE ARG A 5 15.503 -1.668 -3.567 1.00 0.00 N ATOM 63 CZ ARG A 5 16.224 -2.775 -3.434 1.00 0.00 C ATOM 64 NH1 ARG A 5 15.723 -3.945 -3.806 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.449 -2.714 -2.928 1.00 0.00 N ATOM 0 H ARG A 5 10.123 -1.513 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 5 11.170 0.555 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.850 -1.014 -6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.068 0.725 -6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.471 0.459 -4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.074 0.074 -3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.481 -2.194 -3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.138 -2.162 -5.074 1.00 0.00 H new ATOM 0 HE ARG A 5 15.918 -0.784 -3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.782 -3.996 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.279 -4.794 -3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.838 -1.816 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.002 -3.565 -2.826 1.00 0.00 H new ATOM 79 N PHE A 6 10.720 2.271 -6.049 1.00 0.00 N ATOM 80 CA PHE A 6 10.132 3.231 -6.975 1.00 0.00 C ATOM 81 C PHE A 6 10.640 4.642 -6.693 1.00 0.00 C ATOM 82 O PHE A 6 10.751 5.053 -5.538 1.00 0.00 O ATOM 83 CB PHE A 6 8.605 3.197 -6.877 1.00 0.00 C ATOM 84 CG PHE A 6 8.075 3.757 -5.588 1.00 0.00 C ATOM 85 CD1 PHE A 6 7.839 5.116 -5.453 1.00 0.00 C ATOM 86 CD2 PHE A 6 7.814 2.925 -4.511 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.351 5.635 -4.269 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.325 3.438 -3.324 1.00 0.00 C ATOM 89 CZ PHE A 6 7.095 4.795 -3.203 1.00 0.00 C ATOM 0 H PHE A 6 11.228 2.692 -5.271 1.00 0.00 H new ATOM 0 HA PHE A 6 10.431 2.952 -7.986 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.183 3.760 -7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.265 2.167 -6.984 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.039 5.777 -6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.995 1.864 -4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.170 6.696 -4.177 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.123 2.779 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.715 5.198 -2.276 1.00 0.00 H new ATOM 99 N SER A 7 10.946 5.378 -7.756 1.00 0.00 N ATOM 100 CA SER A 7 11.446 6.741 -7.624 1.00 0.00 C ATOM 101 C SER A 7 10.573 7.719 -8.404 1.00 0.00 C ATOM 102 O SER A 7 10.145 7.429 -9.522 1.00 0.00 O ATOM 103 CB SER A 7 12.892 6.826 -8.116 1.00 0.00 C ATOM 104 OG SER A 7 13.794 6.337 -7.138 1.00 0.00 O ATOM 0 H SER A 7 10.856 5.053 -8.719 1.00 0.00 H new ATOM 0 HA SER A 7 11.412 7.013 -6.569 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.001 6.251 -9.035 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.137 7.860 -8.356 1.00 0.00 H new ATOM 0 HG SER A 7 14.711 6.401 -7.478 1.00 0.00 H new ATOM 110 N ILE A 8 10.313 8.877 -7.807 1.00 0.00 N ATOM 111 CA ILE A 8 9.492 9.898 -8.446 1.00 0.00 C ATOM 112 C ILE A 8 10.327 11.115 -8.829 1.00 0.00 C ATOM 113 O ILE A 8 11.234 11.516 -8.098 1.00 0.00 O ATOM 114 CB ILE A 8 8.340 10.348 -7.529 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.708 9.139 -6.836 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.295 11.113 -8.328 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.568 9.501 -5.909 1.00 0.00 C ATOM 0 H ILE A 8 10.659 9.132 -6.882 1.00 0.00 H new ATOM 0 HA ILE A 8 9.075 9.449 -9.347 1.00 0.00 H new ATOM 0 HB ILE A 8 8.743 11.012 -6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.343 8.446 -7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.476 8.614 -6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.487 11.424 -7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.754 11.993 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.894 10.471 -9.112 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.168 8.595 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.932 10.170 -5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.782 9.999 -6.476 1.00 0.00 H new ATOM 129 N THR A 9 10.016 11.701 -9.981 1.00 0.00 N ATOM 130 CA THR A 9 10.736 12.873 -10.461 1.00 0.00 C ATOM 131 C THR A 9 9.775 13.998 -10.828 1.00 0.00 C ATOM 132 O THR A 9 8.659 13.748 -11.282 1.00 0.00 O ATOM 133 CB THR A 9 11.604 12.535 -11.688 1.00 0.00 C ATOM 134 OG1 THR A 9 12.216 11.251 -11.516 1.00 0.00 O ATOM 135 CG2 THR A 9 12.679 13.590 -11.899 1.00 0.00 C ATOM 0 H THR A 9 9.270 11.382 -10.599 1.00 0.00 H new ATOM 0 HA THR A 9 11.382 13.202 -9.647 1.00 0.00 H new ATOM 0 HB THR A 9 10.959 12.516 -12.567 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.000 10.680 -12.283 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.279 13.329 -12.771 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.210 14.561 -12.059 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.320 13.637 -11.019 1.00 0.00 H new ATOM 143 N GLN A 10 10.216 15.235 -10.628 1.00 0.00 N ATOM 144 CA GLN A 10 9.392 16.398 -10.939 1.00 0.00 C ATOM 145 C GLN A 10 10.004 17.210 -12.076 1.00 0.00 C ATOM 146 O GLN A 10 11.225 17.332 -12.178 1.00 0.00 O ATOM 147 CB GLN A 10 9.228 17.279 -9.698 1.00 0.00 C ATOM 148 CG GLN A 10 10.524 17.922 -9.233 1.00 0.00 C ATOM 149 CD GLN A 10 10.619 18.018 -7.723 1.00 0.00 C ATOM 150 OE1 GLN A 10 10.660 19.112 -7.160 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.655 16.869 -7.058 1.00 0.00 N ATOM 0 H GLN A 10 11.138 15.458 -10.253 1.00 0.00 H new ATOM 0 HA GLN A 10 8.412 16.043 -11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.500 18.062 -9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.819 16.677 -8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.368 17.344 -9.610 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.604 18.921 -9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.619 15.985 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.719 16.871 -6.040 1.00 0.00 H new ATOM 160 N ASP A 11 9.148 17.764 -12.927 1.00 0.00 N ATOM 161 CA ASP A 11 9.604 18.565 -14.057 1.00 0.00 C ATOM 162 C ASP A 11 8.849 19.889 -14.124 1.00 0.00 C ATOM 163 O ASP A 11 7.898 20.110 -13.375 1.00 0.00 O ATOM 164 CB ASP A 11 9.420 17.793 -15.365 1.00 0.00 C ATOM 165 CG ASP A 11 9.645 16.303 -15.193 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.626 15.924 -14.520 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.838 15.516 -15.731 1.00 0.00 O ATOM 0 H ASP A 11 8.135 17.673 -12.856 1.00 0.00 H new ATOM 0 HA ASP A 11 10.664 18.777 -13.915 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.413 17.964 -15.746 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.114 18.179 -16.112 1.00 0.00 H new ATOM 172 N GLU A 12 9.280 20.765 -15.026 1.00 0.00 N ATOM 173 CA GLU A 12 8.645 22.068 -15.189 1.00 0.00 C ATOM 174 C GLU A 12 7.511 21.997 -16.207 1.00 0.00 C ATOM 175 O GLU A 12 6.994 23.024 -16.648 1.00 0.00 O ATOM 176 CB GLU A 12 9.675 23.111 -15.628 1.00 0.00 C ATOM 177 CG GLU A 12 10.250 22.854 -17.011 1.00 0.00 C ATOM 178 CD GLU A 12 11.370 23.813 -17.365 1.00 0.00 C ATOM 179 OE1 GLU A 12 11.319 24.976 -16.913 1.00 0.00 O ATOM 180 OE2 GLU A 12 12.297 23.400 -18.093 1.00 0.00 O ATOM 0 H GLU A 12 10.065 20.597 -15.655 1.00 0.00 H new ATOM 0 HA GLU A 12 8.228 22.363 -14.226 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.210 24.097 -15.615 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.489 23.133 -14.904 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.623 21.831 -17.061 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.456 22.940 -17.752 1.00 0.00 H new ATOM 187 N GLU A 13 7.129 20.778 -16.576 1.00 0.00 N ATOM 188 CA GLU A 13 6.058 20.574 -17.543 1.00 0.00 C ATOM 189 C GLU A 13 5.095 19.490 -17.067 1.00 0.00 C ATOM 190 O GLU A 13 3.882 19.597 -17.251 1.00 0.00 O ATOM 191 CB GLU A 13 6.637 20.193 -18.907 1.00 0.00 C ATOM 192 CG GLU A 13 7.919 19.381 -18.819 1.00 0.00 C ATOM 193 CD GLU A 13 8.389 18.884 -20.172 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.676 19.118 -21.170 1.00 0.00 O ATOM 195 OE2 GLU A 13 9.469 18.260 -20.233 1.00 0.00 O ATOM 0 H GLU A 13 7.545 19.918 -16.220 1.00 0.00 H new ATOM 0 HA GLU A 13 5.507 21.510 -17.639 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.892 19.622 -19.462 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.831 21.102 -19.477 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.701 19.992 -18.369 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.760 18.529 -18.158 1.00 0.00 H new ATOM 202 N PHE A 14 5.644 18.446 -16.455 1.00 0.00 N ATOM 203 CA PHE A 14 4.835 17.341 -15.954 1.00 0.00 C ATOM 204 C PHE A 14 5.611 16.520 -14.929 1.00 0.00 C ATOM 205 O PHE A 14 6.752 16.842 -14.596 1.00 0.00 O ATOM 206 CB PHE A 14 4.387 16.444 -17.109 1.00 0.00 C ATOM 207 CG PHE A 14 5.527 15.786 -17.834 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.267 16.488 -18.771 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.858 14.465 -17.577 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.316 15.885 -19.439 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.906 13.856 -18.242 1.00 0.00 C ATOM 212 CZ PHE A 14 7.636 14.568 -19.174 1.00 0.00 C ATOM 0 H PHE A 14 6.646 18.342 -16.294 1.00 0.00 H new ATOM 0 HA PHE A 14 3.955 17.760 -15.467 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.720 15.674 -16.723 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.811 17.039 -17.818 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.022 17.518 -18.982 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.291 13.905 -16.849 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.885 16.443 -20.168 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.153 12.826 -18.033 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.456 14.095 -19.695 1.00 0.00 H new ATOM 222 N ILE A 15 4.983 15.460 -14.431 1.00 0.00 N ATOM 223 CA ILE A 15 5.615 14.592 -13.445 1.00 0.00 C ATOM 224 C ILE A 15 6.034 13.265 -14.067 1.00 0.00 C ATOM 225 O ILE A 15 5.323 12.707 -14.903 1.00 0.00 O ATOM 226 CB ILE A 15 4.676 14.315 -12.256 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.682 15.498 -11.286 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.088 13.036 -11.543 1.00 0.00 C ATOM 229 CD1 ILE A 15 5.981 15.649 -10.526 1.00 0.00 C ATOM 0 H ILE A 15 4.038 15.182 -14.694 1.00 0.00 H new ATOM 0 HA ILE A 15 6.500 15.116 -13.085 1.00 0.00 H new ATOM 0 HB ILE A 15 3.662 14.186 -12.635 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.487 16.415 -11.842 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.866 15.378 -10.574 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.415 12.854 -10.705 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.036 12.199 -12.239 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.108 13.138 -11.173 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.914 16.507 -9.857 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.168 14.748 -9.942 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.799 15.801 -11.230 1.00 0.00 H new ATOM 241 N PHE A 16 7.193 12.763 -13.653 1.00 0.00 N ATOM 242 CA PHE A 16 7.707 11.500 -14.170 1.00 0.00 C ATOM 243 C PHE A 16 7.907 10.492 -13.042 1.00 0.00 C ATOM 244 O PHE A 16 8.898 10.547 -12.313 1.00 0.00 O ATOM 245 CB PHE A 16 9.028 11.726 -14.907 1.00 0.00 C ATOM 246 CG PHE A 16 9.841 10.475 -15.078 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.337 9.397 -15.787 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.110 10.377 -14.529 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.083 8.244 -15.945 1.00 0.00 C ATOM 250 CE2 PHE A 16 11.861 9.227 -14.684 1.00 0.00 C ATOM 251 CZ PHE A 16 11.347 8.159 -15.394 1.00 0.00 C ATOM 0 H PHE A 16 7.794 13.211 -12.961 1.00 0.00 H new ATOM 0 HA PHE A 16 6.974 11.097 -14.868 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.819 12.151 -15.889 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.618 12.462 -14.361 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.350 9.458 -16.221 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.517 11.209 -13.974 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.678 7.410 -16.499 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.848 9.163 -14.251 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.932 7.260 -15.518 1.00 0.00 H new ATOM 261 N LEU A 17 6.958 9.573 -12.903 1.00 0.00 N ATOM 262 CA LEU A 17 7.028 8.552 -11.864 1.00 0.00 C ATOM 263 C LEU A 17 7.676 7.277 -12.395 1.00 0.00 C ATOM 264 O LEU A 17 7.216 6.697 -13.379 1.00 0.00 O ATOM 265 CB LEU A 17 5.628 8.242 -11.331 1.00 0.00 C ATOM 266 CG LEU A 17 5.439 6.859 -10.707 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.342 6.692 -9.494 1.00 0.00 C ATOM 268 CD2 LEU A 17 3.982 6.642 -10.323 1.00 0.00 C ATOM 0 H LEU A 17 6.131 9.514 -13.497 1.00 0.00 H new ATOM 0 HA LEU A 17 7.643 8.938 -11.051 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.370 8.994 -10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.917 8.349 -12.150 1.00 0.00 H new ATOM 0 HG LEU A 17 5.716 6.107 -11.446 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.193 5.702 -9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.383 6.803 -9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.097 7.451 -8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.866 5.653 -9.880 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.679 7.400 -9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.356 6.717 -11.212 1.00 0.00 H new ATOM 280 N LYS A 18 8.746 6.845 -11.737 1.00 0.00 N ATOM 281 CA LYS A 18 9.456 5.637 -12.140 1.00 0.00 C ATOM 282 C LYS A 18 9.250 4.519 -11.122 1.00 0.00 C ATOM 283 O LYS A 18 9.296 4.751 -9.914 1.00 0.00 O ATOM 284 CB LYS A 18 10.950 5.927 -12.298 1.00 0.00 C ATOM 285 CG LYS A 18 11.763 4.720 -12.733 1.00 0.00 C ATOM 286 CD LYS A 18 13.223 4.858 -12.337 1.00 0.00 C ATOM 287 CE LYS A 18 13.804 6.183 -12.805 1.00 0.00 C ATOM 288 NZ LYS A 18 15.292 6.144 -12.871 1.00 0.00 N ATOM 0 H LYS A 18 9.141 7.314 -10.922 1.00 0.00 H new ATOM 0 HA LYS A 18 9.052 5.311 -13.098 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.081 6.725 -13.029 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.342 6.296 -11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.347 3.819 -12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.688 4.600 -13.814 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.316 4.781 -11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.797 4.036 -12.766 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.403 6.428 -13.789 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.491 6.977 -12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.649 7.066 -13.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.676 5.935 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.591 5.404 -13.538 1.00 0.00 H new ATOM 302 N ILE A 19 9.024 3.308 -11.619 1.00 0.00 N ATOM 303 CA ILE A 19 8.813 2.155 -10.752 1.00 0.00 C ATOM 304 C ILE A 19 9.773 1.022 -11.101 1.00 0.00 C ATOM 305 O ILE A 19 9.923 0.658 -12.267 1.00 0.00 O ATOM 306 CB ILE A 19 7.367 1.635 -10.848 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.375 2.776 -10.615 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.139 0.514 -9.845 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.648 3.210 -11.868 1.00 0.00 C ATOM 0 H ILE A 19 8.982 3.100 -12.617 1.00 0.00 H new ATOM 0 HA ILE A 19 9.003 2.489 -9.732 1.00 0.00 H new ATOM 0 HB ILE A 19 7.206 1.237 -11.850 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.643 2.464 -9.870 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.908 3.631 -10.200 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.112 0.157 -9.925 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.826 -0.306 -10.054 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.316 0.887 -8.836 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.962 4.022 -11.628 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.371 3.553 -12.608 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.087 2.368 -12.273 1.00 0.00 H new ATOM 321 N PHE A 20 10.421 0.468 -10.081 1.00 0.00 N ATOM 322 CA PHE A 20 11.366 -0.625 -10.280 1.00 0.00 C ATOM 323 C PHE A 20 10.682 -1.976 -10.096 1.00 0.00 C ATOM 324 O PHE A 20 10.404 -2.395 -8.972 1.00 0.00 O ATOM 325 CB PHE A 20 12.538 -0.497 -9.304 1.00 0.00 C ATOM 326 CG PHE A 20 13.307 0.784 -9.455 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.204 0.950 -10.498 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.132 1.823 -8.555 1.00 0.00 C ATOM 329 CE1 PHE A 20 14.914 2.128 -10.639 1.00 0.00 C ATOM 330 CE2 PHE A 20 13.838 3.004 -8.692 1.00 0.00 C ATOM 331 CZ PHE A 20 14.729 3.156 -9.736 1.00 0.00 C ATOM 0 H PHE A 20 10.309 0.758 -9.109 1.00 0.00 H new ATOM 0 HA PHE A 20 11.743 -0.565 -11.301 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.160 -0.566 -8.284 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.216 -1.338 -9.451 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.350 0.150 -11.209 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.436 1.709 -7.737 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.612 2.244 -11.455 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.693 3.806 -7.984 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.281 4.078 -9.846 1.00 0.00 H new ATOM 341 N ILE A 21 10.413 -2.652 -11.208 1.00 0.00 N ATOM 342 CA ILE A 21 9.762 -3.956 -11.170 1.00 0.00 C ATOM 343 C ILE A 21 10.504 -4.967 -12.037 1.00 0.00 C ATOM 344 O ILE A 21 11.556 -4.663 -12.600 1.00 0.00 O ATOM 345 CB ILE A 21 8.298 -3.868 -11.642 1.00 0.00 C ATOM 346 CG1 ILE A 21 8.235 -3.358 -13.083 1.00 0.00 C ATOM 347 CG2 ILE A 21 7.497 -2.964 -10.718 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.371 -4.209 -13.988 1.00 0.00 C ATOM 0 H ILE A 21 10.636 -2.319 -12.146 1.00 0.00 H new ATOM 0 HA ILE A 21 9.782 -4.288 -10.132 1.00 0.00 H new ATOM 0 HB ILE A 21 7.860 -4.866 -11.610 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.852 -2.338 -13.082 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.245 -3.319 -13.490 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.465 -2.912 -11.065 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.520 -3.367 -9.705 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.931 -1.964 -10.721 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.373 -3.788 -14.994 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.766 -5.224 -14.019 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.351 -4.228 -13.604 1.00 0.00 H new ATOM 492 N LEU A 31 -2.560 -3.589 -16.983 1.00 0.00 N ATOM 493 CA LEU A 31 -1.841 -2.330 -16.819 1.00 0.00 C ATOM 494 C LEU A 31 -2.734 -1.144 -17.172 1.00 0.00 C ATOM 495 O LEU A 31 -3.047 -0.917 -18.340 1.00 0.00 O ATOM 496 CB LEU A 31 -0.588 -2.318 -17.696 1.00 0.00 C ATOM 497 CG LEU A 31 0.370 -3.496 -17.514 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.254 -4.066 -16.109 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.094 -4.573 -18.553 1.00 0.00 C ATOM 0 HA LEU A 31 -1.546 -2.241 -15.773 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.900 -2.287 -18.740 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.040 -1.396 -17.500 1.00 0.00 H new ATOM 0 HG LEU A 31 1.389 -3.136 -17.655 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.943 -4.903 -15.998 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.502 -3.293 -15.381 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.766 -4.411 -15.939 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.785 -5.404 -18.408 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.930 -4.930 -18.444 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.229 -4.158 -19.552 1.00 0.00 H new ATOM 511 N GLU A 32 -3.137 -0.390 -16.154 1.00 0.00 N ATOM 512 CA GLU A 32 -3.992 0.773 -16.357 1.00 0.00 C ATOM 513 C GLU A 32 -3.882 1.741 -15.182 1.00 0.00 C ATOM 514 O GLU A 32 -4.725 1.742 -14.285 1.00 0.00 O ATOM 515 CB GLU A 32 -5.447 0.339 -16.540 1.00 0.00 C ATOM 516 CG GLU A 32 -5.822 0.060 -17.986 1.00 0.00 C ATOM 517 CD GLU A 32 -7.322 0.029 -18.204 1.00 0.00 C ATOM 518 OE1 GLU A 32 -7.930 1.116 -18.299 1.00 0.00 O ATOM 519 OE2 GLU A 32 -7.888 -1.082 -18.281 1.00 0.00 O ATOM 0 H GLU A 32 -2.885 -0.564 -15.181 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.657 1.285 -17.259 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.627 -0.558 -15.947 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.102 1.117 -16.147 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.381 0.825 -18.626 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.395 -0.895 -18.290 1.00 0.00 H new ATOM 526 N ILE A 33 -2.838 2.562 -15.196 1.00 0.00 N ATOM 527 CA ILE A 33 -2.618 3.535 -14.132 1.00 0.00 C ATOM 528 C ILE A 33 -3.550 4.733 -14.282 1.00 0.00 C ATOM 529 O ILE A 33 -3.680 5.299 -15.367 1.00 0.00 O ATOM 530 CB ILE A 33 -1.160 4.032 -14.116 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.198 2.851 -13.977 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.953 5.028 -12.985 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.260 3.251 -14.021 1.00 0.00 C ATOM 0 H ILE A 33 -2.131 2.573 -15.931 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.830 3.027 -13.191 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.952 4.536 -15.060 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.398 2.339 -13.036 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.395 2.137 -14.776 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.082 5.370 -12.986 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.617 5.881 -13.125 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.175 4.548 -12.032 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.884 2.363 -13.917 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.476 3.736 -14.973 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.473 3.942 -13.205 1.00 0.00 H new ATOM 545 N ILE A 34 -4.195 5.114 -13.184 1.00 0.00 N ATOM 546 CA ILE A 34 -5.113 6.246 -13.193 1.00 0.00 C ATOM 547 C ILE A 34 -4.738 7.265 -12.122 1.00 0.00 C ATOM 548 O ILE A 34 -4.281 6.901 -11.038 1.00 0.00 O ATOM 549 CB ILE A 34 -6.568 5.794 -12.969 1.00 0.00 C ATOM 550 CG1 ILE A 34 -7.503 7.004 -12.944 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.683 5.002 -11.674 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.778 7.528 -11.552 1.00 0.00 C ATOM 0 H ILE A 34 -4.099 4.656 -12.278 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.033 6.709 -14.177 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.863 5.148 -13.795 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.066 7.802 -13.544 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.448 6.732 -13.414 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.717 4.689 -11.529 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.042 4.122 -11.728 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.372 5.627 -10.837 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.448 8.386 -11.612 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.244 6.745 -10.954 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.841 7.832 -11.086 1.00 0.00 H new ATOM 564 N ILE A 35 -4.936 8.542 -12.432 1.00 0.00 N ATOM 565 CA ILE A 35 -4.622 9.613 -11.495 1.00 0.00 C ATOM 566 C ILE A 35 -5.890 10.197 -10.882 1.00 0.00 C ATOM 567 O ILE A 35 -6.845 10.512 -11.592 1.00 0.00 O ATOM 568 CB ILE A 35 -3.828 10.743 -12.178 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.526 10.197 -12.767 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.540 11.860 -11.186 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.452 10.306 -14.274 1.00 0.00 C ATOM 0 H ILE A 35 -5.313 8.860 -13.325 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.010 9.174 -10.707 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.429 11.151 -12.991 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.685 10.736 -12.330 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.418 9.151 -12.481 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.978 12.652 -11.682 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.480 12.263 -10.809 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.955 11.467 -10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.502 9.900 -14.622 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.272 9.744 -14.720 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.528 11.353 -14.567 1.00 0.00 H new ATOM 583 N GLN A 36 -5.891 10.339 -9.561 1.00 0.00 N ATOM 584 CA GLN A 36 -7.042 10.886 -8.853 1.00 0.00 C ATOM 585 C GLN A 36 -7.123 12.399 -9.033 1.00 0.00 C ATOM 586 O GLN A 36 -6.399 12.976 -9.843 1.00 0.00 O ATOM 587 CB GLN A 36 -6.963 10.542 -7.364 1.00 0.00 C ATOM 588 CG GLN A 36 -8.161 9.755 -6.858 1.00 0.00 C ATOM 589 CD GLN A 36 -9.479 10.312 -7.357 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.924 11.374 -6.919 1.00 0.00 O ATOM 591 NE2 GLN A 36 -10.112 9.598 -8.280 1.00 0.00 N ATOM 0 H GLN A 36 -5.108 10.083 -8.959 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.942 10.439 -9.275 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.056 9.966 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.876 11.465 -6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.068 8.716 -7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.159 9.759 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.707 8.724 -8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.003 9.924 -8.654 1.00 0.00 H new ATOM 600 N GLU A 37 -8.010 13.034 -8.272 1.00 0.00 N ATOM 601 CA GLU A 37 -8.186 14.479 -8.350 1.00 0.00 C ATOM 602 C GLU A 37 -6.857 15.201 -8.145 1.00 0.00 C ATOM 603 O GLU A 37 -6.593 16.227 -8.770 1.00 0.00 O ATOM 604 CB GLU A 37 -9.201 14.949 -7.306 1.00 0.00 C ATOM 605 CG GLU A 37 -8.990 14.334 -5.933 1.00 0.00 C ATOM 606 CD GLU A 37 -9.403 15.263 -4.808 1.00 0.00 C ATOM 607 OE1 GLU A 37 -10.157 16.221 -5.077 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.971 15.033 -3.659 1.00 0.00 O ATOM 0 H GLU A 37 -8.617 12.571 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.561 14.720 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.146 16.034 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.205 14.707 -7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.560 13.408 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.939 14.071 -5.815 1.00 0.00 H new ATOM 615 N ASN A 38 -6.025 14.657 -7.262 1.00 0.00 N ATOM 616 CA ASN A 38 -4.724 15.249 -6.973 1.00 0.00 C ATOM 617 C ASN A 38 -3.645 14.174 -6.884 1.00 0.00 C ATOM 618 O ASN A 38 -2.593 14.283 -7.513 1.00 0.00 O ATOM 619 CB ASN A 38 -4.781 16.039 -5.664 1.00 0.00 C ATOM 620 CG ASN A 38 -5.230 15.188 -4.493 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.423 14.945 -4.309 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.274 14.729 -3.693 1.00 0.00 N ATOM 0 H ASN A 38 -6.229 13.808 -6.735 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.471 15.926 -7.789 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.796 16.455 -5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.464 16.881 -5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.516 14.150 -2.889 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.298 14.955 -3.883 1.00 0.00 H new ATOM 629 N MET A 39 -3.915 13.136 -6.100 1.00 0.00 N ATOM 630 CA MET A 39 -2.967 12.040 -5.930 1.00 0.00 C ATOM 631 C MET A 39 -2.977 11.120 -7.148 1.00 0.00 C ATOM 632 O MET A 39 -3.815 11.263 -8.038 1.00 0.00 O ATOM 633 CB MET A 39 -3.300 11.240 -4.670 1.00 0.00 C ATOM 634 CG MET A 39 -4.178 10.027 -4.933 1.00 0.00 C ATOM 635 SD MET A 39 -5.088 9.497 -3.470 1.00 0.00 S ATOM 636 CE MET A 39 -3.747 8.944 -2.419 1.00 0.00 C ATOM 0 H MET A 39 -4.782 13.030 -5.572 1.00 0.00 H new ATOM 0 HA MET A 39 -1.970 12.468 -5.827 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.372 10.912 -4.202 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.802 11.894 -3.957 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.884 10.260 -5.730 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.557 9.204 -5.288 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.132 8.249 -1.673 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.992 8.444 -3.025 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.300 9.802 -1.918 1.00 0.00 H new ATOM 646 N ILE A 40 -2.041 10.178 -7.179 1.00 0.00 N ATOM 647 CA ILE A 40 -1.943 9.236 -8.287 1.00 0.00 C ATOM 648 C ILE A 40 -2.114 7.800 -7.803 1.00 0.00 C ATOM 649 O ILE A 40 -1.565 7.412 -6.772 1.00 0.00 O ATOM 650 CB ILE A 40 -0.592 9.363 -9.016 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.465 10.744 -9.662 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.451 8.268 -10.063 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.845 10.952 -10.391 1.00 0.00 C ATOM 0 H ILE A 40 -1.340 10.047 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.746 9.481 -8.982 1.00 0.00 H new ATOM 0 HB ILE A 40 0.210 9.248 -8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.288 10.886 -10.363 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.568 11.508 -8.891 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.508 8.371 -10.570 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.503 7.293 -9.579 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.257 8.355 -10.791 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.866 11.952 -10.824 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.673 10.843 -9.690 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.941 10.211 -11.185 1.00 0.00 H new ATOM 665 N ILE A 41 -2.877 7.015 -8.557 1.00 0.00 N ATOM 666 CA ILE A 41 -3.117 5.620 -8.206 1.00 0.00 C ATOM 667 C ILE A 41 -2.378 4.680 -9.153 1.00 0.00 C ATOM 668 O ILE A 41 -2.605 4.696 -10.363 1.00 0.00 O ATOM 669 CB ILE A 41 -4.620 5.284 -8.236 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.380 6.154 -7.233 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.838 3.808 -7.937 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.902 5.990 -5.807 1.00 0.00 C ATOM 0 H ILE A 41 -3.339 7.321 -9.414 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.741 5.479 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.004 5.494 -9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.280 7.200 -7.523 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.441 5.909 -7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.905 3.585 -7.962 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.324 3.205 -8.686 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.441 3.574 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.485 6.636 -5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.027 4.952 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.849 6.263 -5.743 1.00 0.00 H new ATOM 684 N PHE A 42 -1.494 3.861 -8.594 1.00 0.00 N ATOM 685 CA PHE A 42 -0.722 2.913 -9.388 1.00 0.00 C ATOM 686 C PHE A 42 -1.342 1.520 -9.325 1.00 0.00 C ATOM 687 O PHE A 42 -1.193 0.805 -8.333 1.00 0.00 O ATOM 688 CB PHE A 42 0.726 2.862 -8.894 1.00 0.00 C ATOM 689 CG PHE A 42 1.555 1.812 -9.578 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.109 2.052 -10.825 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.781 0.586 -8.973 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.874 1.089 -11.456 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.544 -0.380 -9.599 1.00 0.00 C ATOM 694 CZ PHE A 42 3.090 -0.129 -10.843 1.00 0.00 C ATOM 0 H PHE A 42 -1.294 3.835 -7.594 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.733 3.250 -10.424 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.189 3.837 -9.048 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.729 2.674 -7.820 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.941 3.002 -11.310 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.356 0.384 -8.001 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.302 1.289 -12.427 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.714 -1.331 -9.116 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.685 -0.884 -11.335 1.00 0.00 H new ATOM 704 N HIS A 43 -2.038 1.140 -10.392 1.00 0.00 N ATOM 705 CA HIS A 43 -2.681 -0.167 -10.459 1.00 0.00 C ATOM 706 C HIS A 43 -1.837 -1.147 -11.269 1.00 0.00 C ATOM 707 O HIS A 43 -2.013 -2.362 -11.172 1.00 0.00 O ATOM 708 CB HIS A 43 -4.074 -0.043 -11.079 1.00 0.00 C ATOM 709 CG HIS A 43 -5.100 -0.918 -10.427 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.452 -0.799 -10.668 1.00 0.00 N ATOM 711 CD2 HIS A 43 -4.964 -1.930 -9.539 1.00 0.00 C ATOM 712 CE1 HIS A 43 -7.105 -1.700 -9.955 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.225 -2.400 -9.262 1.00 0.00 N ATOM 0 H HIS A 43 -2.171 1.719 -11.221 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.776 -0.550 -9.443 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.400 0.995 -11.015 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.015 -0.294 -12.138 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.037 -2.299 -9.125 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.176 -1.840 -9.941 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.446 -3.165 -8.625 1.00 0.00 H new ATOM 721 N LEU A 44 -0.921 -0.611 -12.068 1.00 0.00 N ATOM 722 CA LEU A 44 -0.049 -1.438 -12.895 1.00 0.00 C ATOM 723 C LEU A 44 0.638 -2.512 -12.058 1.00 0.00 C ATOM 724 O LEU A 44 0.833 -2.344 -10.855 1.00 0.00 O ATOM 725 CB LEU A 44 1.000 -0.569 -13.592 1.00 0.00 C ATOM 726 CG LEU A 44 1.233 -0.859 -15.075 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.524 0.428 -15.831 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.372 -1.852 -15.251 1.00 0.00 C ATOM 0 H LEU A 44 -0.763 0.392 -12.161 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.664 -1.930 -13.649 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.705 0.475 -13.488 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.948 -0.686 -13.066 1.00 0.00 H new ATOM 0 HG LEU A 44 0.325 -1.301 -15.487 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.687 0.202 -16.885 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.677 1.107 -15.732 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.416 0.898 -15.418 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.524 -2.047 -16.313 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.285 -1.438 -14.824 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.124 -2.784 -14.743 1.00 0.00 H new ATOM 740 N SER A 45 1.004 -3.614 -12.705 1.00 0.00 N ATOM 741 CA SER A 45 1.669 -4.717 -12.020 1.00 0.00 C ATOM 742 C SER A 45 0.746 -5.345 -10.980 1.00 0.00 C ATOM 743 O SER A 45 -0.288 -4.787 -10.612 1.00 0.00 O ATOM 744 CB SER A 45 2.954 -4.228 -11.348 1.00 0.00 C ATOM 745 OG SER A 45 4.099 -4.767 -11.985 1.00 0.00 O ATOM 0 H SER A 45 0.852 -3.767 -13.702 1.00 0.00 H new ATOM 0 HA SER A 45 1.921 -5.474 -12.762 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.994 -3.139 -11.381 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.950 -4.515 -10.296 1.00 0.00 H new ATOM 0 HG SER A 45 4.907 -4.438 -11.538 1.00 0.00 H new ATOM 751 N PRO A 46 1.128 -6.536 -10.494 1.00 0.00 N ATOM 752 CA PRO A 46 0.349 -7.267 -9.490 1.00 0.00 C ATOM 753 C PRO A 46 0.382 -6.589 -8.124 1.00 0.00 C ATOM 754 O PRO A 46 -0.296 -7.019 -7.191 1.00 0.00 O ATOM 755 CB PRO A 46 1.043 -8.630 -9.427 1.00 0.00 C ATOM 756 CG PRO A 46 2.440 -8.365 -9.872 1.00 0.00 C ATOM 757 CD PRO A 46 2.348 -7.259 -10.887 1.00 0.00 C ATOM 0 HA PRO A 46 -0.707 -7.322 -9.754 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.020 -9.039 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.552 -9.355 -10.076 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.069 -8.072 -9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.887 -9.259 -10.308 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.225 -6.613 -10.858 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.274 -7.650 -11.902 1.00 0.00 H new ATOM 765 N TYR A 47 1.174 -5.528 -8.015 1.00 0.00 N ATOM 766 CA TYR A 47 1.296 -4.792 -6.762 1.00 0.00 C ATOM 767 C TYR A 47 0.665 -3.408 -6.880 1.00 0.00 C ATOM 768 O TYR A 47 0.962 -2.655 -7.807 1.00 0.00 O ATOM 769 CB TYR A 47 2.767 -4.662 -6.364 1.00 0.00 C ATOM 770 CG TYR A 47 3.573 -5.918 -6.606 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.148 -7.145 -6.112 1.00 0.00 C ATOM 772 CD2 TYR A 47 4.760 -5.878 -7.327 1.00 0.00 C ATOM 773 CE1 TYR A 47 3.882 -8.296 -6.329 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.499 -7.023 -7.551 1.00 0.00 C ATOM 775 CZ TYR A 47 5.056 -8.230 -7.049 1.00 0.00 C ATOM 776 OH TYR A 47 5.790 -9.373 -7.269 1.00 0.00 O ATOM 0 H TYR A 47 1.741 -5.159 -8.778 1.00 0.00 H new ATOM 0 HA TYR A 47 0.765 -5.349 -5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.215 -3.840 -6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.827 -4.400 -5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.228 -7.200 -5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.111 -4.935 -7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.538 -9.242 -5.937 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.418 -6.974 -8.116 1.00 0.00 H new ATOM 0 HH TYR A 47 6.588 -9.153 -7.794 1.00 0.00 H new ATOM 786 N TYR A 48 -0.207 -3.081 -5.933 1.00 0.00 N ATOM 787 CA TYR A 48 -0.883 -1.789 -5.930 1.00 0.00 C ATOM 788 C TYR A 48 -0.116 -0.775 -5.085 1.00 0.00 C ATOM 789 O TYR A 48 0.244 -1.049 -3.940 1.00 0.00 O ATOM 790 CB TYR A 48 -2.309 -1.936 -5.398 1.00 0.00 C ATOM 791 CG TYR A 48 -3.073 -0.633 -5.342 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.934 0.230 -4.262 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.932 -0.263 -6.369 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.630 1.422 -4.206 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.631 0.927 -6.322 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.477 1.766 -5.238 1.00 0.00 C ATOM 797 OH TYR A 48 -5.171 2.954 -5.187 1.00 0.00 O ATOM 0 H TYR A 48 -0.462 -3.693 -5.158 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.921 -1.426 -6.957 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.852 -2.639 -6.029 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.272 -2.369 -4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.270 -0.036 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.055 -0.918 -7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.511 2.081 -3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.295 1.199 -7.129 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.081 2.816 -5.525 1.00 0.00 H new ATOM 807 N LEU A 49 0.130 0.397 -5.659 1.00 0.00 N ATOM 808 CA LEU A 49 0.853 1.454 -4.960 1.00 0.00 C ATOM 809 C LEU A 49 0.083 2.770 -5.017 1.00 0.00 C ATOM 810 O LEU A 49 -0.547 3.089 -6.025 1.00 0.00 O ATOM 811 CB LEU A 49 2.244 1.637 -5.571 1.00 0.00 C ATOM 812 CG LEU A 49 3.222 2.496 -4.768 1.00 0.00 C ATOM 813 CD1 LEU A 49 2.911 3.973 -4.953 1.00 0.00 C ATOM 814 CD2 LEU A 49 3.176 2.120 -3.294 1.00 0.00 C ATOM 0 H LEU A 49 -0.160 0.640 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 49 0.957 1.160 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.689 0.652 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.129 2.081 -6.560 1.00 0.00 H new ATOM 0 HG LEU A 49 4.230 2.309 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.617 4.569 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.996 4.233 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.897 4.177 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.878 2.741 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.168 2.278 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.448 1.071 -3.177 1.00 0.00 H new ATOM 826 N ARG A 50 0.141 3.530 -3.928 1.00 0.00 N ATOM 827 CA ARG A 50 -0.550 4.812 -3.854 1.00 0.00 C ATOM 828 C ARG A 50 0.440 5.951 -3.627 1.00 0.00 C ATOM 829 O ARG A 50 1.318 5.863 -2.768 1.00 0.00 O ATOM 830 CB ARG A 50 -1.587 4.792 -2.730 1.00 0.00 C ATOM 831 CG ARG A 50 -2.795 5.673 -3.000 1.00 0.00 C ATOM 832 CD ARG A 50 -4.095 4.945 -2.695 1.00 0.00 C ATOM 833 NE ARG A 50 -5.184 5.871 -2.396 1.00 0.00 N ATOM 834 CZ ARG A 50 -6.282 5.525 -1.734 1.00 0.00 C ATOM 835 NH1 ARG A 50 -6.436 4.280 -1.304 1.00 0.00 N ATOM 836 NH2 ARG A 50 -7.229 6.425 -1.500 1.00 0.00 N ATOM 0 H ARG A 50 0.659 3.280 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.057 4.978 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.923 3.767 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.112 5.115 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.731 6.576 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.790 5.989 -4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.371 4.324 -3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.945 4.276 -1.848 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.096 6.837 -2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.710 3.586 -1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.280 4.017 -0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -7.114 7.384 -1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.072 6.158 -0.991 1.00 0.00 H new ATOM 850 N LEU A 51 0.292 7.019 -4.403 1.00 0.00 N ATOM 851 CA LEU A 51 1.173 8.176 -4.288 1.00 0.00 C ATOM 852 C LEU A 51 0.376 9.439 -3.978 1.00 0.00 C ATOM 853 O LEU A 51 -0.449 9.877 -4.780 1.00 0.00 O ATOM 854 CB LEU A 51 1.970 8.366 -5.580 1.00 0.00 C ATOM 855 CG LEU A 51 2.937 7.239 -5.944 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.604 7.520 -7.282 1.00 0.00 C ATOM 857 CD2 LEU A 51 3.981 7.058 -4.852 1.00 0.00 C ATOM 0 H LEU A 51 -0.430 7.108 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 51 1.865 7.994 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.266 8.493 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.538 9.293 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 51 2.369 6.313 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.289 6.708 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.843 7.598 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.159 8.456 -7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.660 6.252 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.545 7.983 -4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.486 6.810 -3.913 1.00 0.00 H new ATOM 869 N ARG A 52 0.629 10.021 -2.810 1.00 0.00 N ATOM 870 CA ARG A 52 -0.064 11.234 -2.395 1.00 0.00 C ATOM 871 C ARG A 52 0.891 12.424 -2.367 1.00 0.00 C ATOM 872 O ARG A 52 1.736 12.534 -1.479 1.00 0.00 O ATOM 873 CB ARG A 52 -0.694 11.040 -1.014 1.00 0.00 C ATOM 874 CG ARG A 52 -1.579 12.197 -0.581 1.00 0.00 C ATOM 875 CD ARG A 52 -2.851 11.703 0.091 1.00 0.00 C ATOM 876 NE ARG A 52 -2.788 11.833 1.545 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.676 11.291 2.370 1.00 0.00 C ATOM 878 NH1 ARG A 52 -4.690 10.585 1.888 1.00 0.00 N ATOM 879 NH2 ARG A 52 -3.551 11.454 3.681 1.00 0.00 N ATOM 0 H ARG A 52 1.309 9.672 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.851 11.439 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.285 10.124 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.099 10.905 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.029 12.840 0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.837 12.804 -1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.703 12.268 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.018 10.659 -0.173 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.020 12.369 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.789 10.457 0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.371 10.170 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.772 11.996 4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.234 11.037 4.314 1.00 0.00 H new ATOM 893 N PHE A 53 0.750 13.312 -3.346 1.00 0.00 N ATOM 894 CA PHE A 53 1.601 14.493 -3.435 1.00 0.00 C ATOM 895 C PHE A 53 0.919 15.703 -2.805 1.00 0.00 C ATOM 896 O PHE A 53 -0.306 15.772 -2.698 1.00 0.00 O ATOM 897 CB PHE A 53 1.945 14.790 -4.896 1.00 0.00 C ATOM 898 CG PHE A 53 2.593 13.636 -5.607 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.436 12.773 -4.927 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.358 13.415 -6.954 1.00 0.00 C ATOM 901 CE1 PHE A 53 4.034 11.711 -5.579 1.00 0.00 C ATOM 902 CE2 PHE A 53 2.952 12.354 -7.611 1.00 0.00 C ATOM 903 CZ PHE A 53 3.791 11.501 -6.922 1.00 0.00 C ATOM 0 H PHE A 53 0.055 13.236 -4.088 1.00 0.00 H new ATOM 0 HA PHE A 53 2.521 14.290 -2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.034 15.067 -5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.612 15.651 -4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.628 12.931 -3.876 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.703 14.080 -7.497 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.691 11.046 -5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.760 12.192 -8.661 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.256 10.671 -7.433 1.00 0.00 H new ATOM 913 N PRO A 54 1.730 16.681 -2.375 1.00 0.00 N ATOM 914 CA PRO A 54 1.228 17.907 -1.748 1.00 0.00 C ATOM 915 C PRO A 54 0.502 18.811 -2.739 1.00 0.00 C ATOM 916 O PRO A 54 -0.097 19.816 -2.355 1.00 0.00 O ATOM 917 CB PRO A 54 2.499 18.589 -1.235 1.00 0.00 C ATOM 918 CG PRO A 54 3.586 18.075 -2.114 1.00 0.00 C ATOM 919 CD PRO A 54 3.199 16.666 -2.470 1.00 0.00 C ATOM 0 HA PRO A 54 0.496 17.695 -0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.419 19.674 -1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.686 18.343 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.688 18.690 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.547 18.098 -1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.534 16.398 -3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.639 15.943 -1.783 1.00 0.00 H new ATOM 927 N HIS A 55 0.559 18.446 -4.016 1.00 0.00 N ATOM 928 CA HIS A 55 -0.095 19.224 -5.063 1.00 0.00 C ATOM 929 C HIS A 55 -1.228 18.428 -5.704 1.00 0.00 C ATOM 930 O HIS A 55 -1.577 17.343 -5.238 1.00 0.00 O ATOM 931 CB HIS A 55 0.919 19.638 -6.129 1.00 0.00 C ATOM 932 CG HIS A 55 2.026 20.498 -5.600 1.00 0.00 C ATOM 933 ND1 HIS A 55 1.950 21.874 -5.547 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.239 20.171 -5.098 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.069 22.356 -5.037 1.00 0.00 C ATOM 936 NE2 HIS A 55 3.868 21.342 -4.756 1.00 0.00 N ATOM 0 H HIS A 55 1.051 17.617 -4.351 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.517 20.119 -4.606 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.348 18.742 -6.578 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.400 20.175 -6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.638 19.174 -4.987 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.293 23.400 -4.877 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.801 21.417 -4.351 1.00 0.00 H new ATOM 944 N GLU A 56 -1.798 18.974 -6.773 1.00 0.00 N ATOM 945 CA GLU A 56 -2.892 18.315 -7.476 1.00 0.00 C ATOM 946 C GLU A 56 -2.566 18.151 -8.958 1.00 0.00 C ATOM 947 O GLU A 56 -2.273 19.125 -9.652 1.00 0.00 O ATOM 948 CB GLU A 56 -4.187 19.113 -7.312 1.00 0.00 C ATOM 949 CG GLU A 56 -3.994 20.616 -7.423 1.00 0.00 C ATOM 950 CD GLU A 56 -3.681 21.263 -6.088 1.00 0.00 C ATOM 951 OE1 GLU A 56 -4.443 21.038 -5.125 1.00 0.00 O ATOM 952 OE2 GLU A 56 -2.672 21.996 -6.007 1.00 0.00 O ATOM 0 H GLU A 56 -1.520 19.871 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.026 17.325 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.901 18.790 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.626 18.882 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.184 20.824 -8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.897 21.065 -7.838 1.00 0.00 H new ATOM 959 N LEU A 57 -2.619 16.912 -9.435 1.00 0.00 N ATOM 960 CA LEU A 57 -2.330 16.619 -10.835 1.00 0.00 C ATOM 961 C LEU A 57 -3.616 16.372 -11.617 1.00 0.00 C ATOM 962 O LEU A 57 -4.710 16.391 -11.052 1.00 0.00 O ATOM 963 CB LEU A 57 -1.412 15.400 -10.941 1.00 0.00 C ATOM 964 CG LEU A 57 -0.189 15.398 -10.024 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.084 13.996 -9.501 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.028 15.943 -10.756 1.00 0.00 C ATOM 0 H LEU A 57 -2.859 16.095 -8.874 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.826 17.484 -11.266 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.001 14.507 -10.730 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.068 15.318 -11.972 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.396 16.047 -9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.958 14.014 -8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.780 13.643 -8.938 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.270 13.325 -10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.889 15.934 -10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.238 15.321 -11.626 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.831 16.965 -11.079 1.00 0.00 H new ATOM 978 N ILE A 58 -3.475 16.138 -12.917 1.00 0.00 N ATOM 979 CA ILE A 58 -4.626 15.883 -13.775 1.00 0.00 C ATOM 980 C ILE A 58 -4.325 14.780 -14.785 1.00 0.00 C ATOM 981 O ILE A 58 -3.205 14.669 -15.283 1.00 0.00 O ATOM 982 CB ILE A 58 -5.056 17.153 -14.532 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.227 16.845 -15.467 1.00 0.00 C ATOM 984 CG2 ILE A 58 -3.883 17.725 -15.315 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.867 18.080 -16.062 1.00 0.00 C ATOM 0 H ILE A 58 -2.576 16.120 -13.399 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.440 15.564 -13.124 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.382 17.898 -13.806 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.877 16.202 -16.275 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.982 16.283 -14.917 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.202 18.622 -15.845 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.075 17.977 -14.628 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.530 16.985 -16.034 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.689 17.785 -16.714 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.248 18.714 -15.261 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.125 18.632 -16.640 1.00 0.00 H new ATOM 997 N ASP A 59 -5.333 13.968 -15.083 1.00 0.00 N ATOM 998 CA ASP A 59 -5.178 12.875 -16.036 1.00 0.00 C ATOM 999 C ASP A 59 -5.793 13.238 -17.384 1.00 0.00 C ATOM 1000 O ASP A 59 -7.006 13.139 -17.572 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.826 11.601 -15.493 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.197 10.626 -16.593 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.281 9.991 -17.156 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.403 10.497 -16.891 1.00 0.00 O ATOM 0 H ASP A 59 -6.266 14.046 -14.679 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.112 12.699 -16.179 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.141 11.116 -14.798 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.720 11.864 -14.928 1.00 0.00 H new ATOM 1009 N ASP A 60 -4.949 13.660 -18.319 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.409 14.038 -19.650 1.00 0.00 C ATOM 1011 C ASP A 60 -4.977 13.007 -20.688 1.00 0.00 C ATOM 1012 O ASP A 60 -4.525 11.916 -20.341 1.00 0.00 O ATOM 1013 CB ASP A 60 -4.867 15.417 -20.028 1.00 0.00 C ATOM 1014 CG ASP A 60 -5.958 16.360 -20.496 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.080 16.283 -19.954 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.690 17.174 -21.405 1.00 0.00 O ATOM 0 H ASP A 60 -3.942 13.749 -18.180 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.498 14.076 -19.633 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.359 15.853 -19.168 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.122 15.308 -20.816 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.119 13.360 -21.962 1.00 0.00 N ATOM 1022 CA GLU A 61 -4.745 12.464 -23.049 1.00 0.00 C ATOM 1023 C GLU A 61 -3.232 12.277 -23.105 1.00 0.00 C ATOM 1024 O GLU A 61 -2.739 11.237 -23.541 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.252 13.008 -24.386 1.00 0.00 C ATOM 1026 CG GLU A 61 -4.707 14.384 -24.729 1.00 0.00 C ATOM 1027 CD GLU A 61 -5.590 15.134 -25.708 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -6.704 15.536 -25.314 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -5.165 15.319 -26.867 1.00 0.00 O ATOM 0 H GLU A 61 -5.490 14.260 -22.266 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.207 11.495 -22.861 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.980 12.311 -25.179 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.341 13.054 -24.361 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.606 14.969 -23.815 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.708 14.280 -25.153 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.500 13.294 -22.660 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.043 13.244 -22.661 1.00 0.00 C ATOM 1038 C ARG A 62 -0.533 12.233 -21.638 1.00 0.00 C ATOM 1039 O ARG A 62 0.501 11.597 -21.840 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.464 14.627 -22.359 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.119 15.316 -21.173 1.00 0.00 C ATOM 1042 CD ARG A 62 -1.971 16.495 -21.614 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.157 17.614 -22.082 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.993 17.918 -23.365 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -1.584 17.191 -24.303 1.00 0.00 N ATOM 1046 NH2 ARG A 62 -0.237 18.951 -23.712 1.00 0.00 N ATOM 0 H ARG A 62 -2.892 14.162 -22.295 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.716 12.929 -23.652 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.605 14.530 -22.167 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.574 15.258 -23.241 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.738 14.601 -20.632 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.350 15.660 -20.481 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.644 16.178 -22.411 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.594 16.823 -20.782 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.689 18.194 -21.386 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.166 16.396 -24.041 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.456 17.427 -25.287 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.219 19.513 -22.994 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.112 19.183 -24.697 1.00 0.00 H new ATOM 1060 N SER A 63 -1.267 12.090 -20.538 1.00 0.00 N ATOM 1061 CA SER A 63 -0.887 11.160 -19.481 1.00 0.00 C ATOM 1062 C SER A 63 -0.834 9.730 -20.010 1.00 0.00 C ATOM 1063 O SER A 63 -1.746 9.277 -20.703 1.00 0.00 O ATOM 1064 CB SER A 63 -1.874 11.249 -18.316 1.00 0.00 C ATOM 1065 OG SER A 63 -1.658 10.203 -17.384 1.00 0.00 O ATOM 0 H SER A 63 -2.128 12.606 -20.356 1.00 0.00 H new ATOM 0 HA SER A 63 0.107 11.435 -19.128 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.767 12.212 -17.817 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.895 11.198 -18.695 1.00 0.00 H new ATOM 0 HG SER A 63 -0.704 10.153 -17.163 1.00 0.00 H new ATOM 1071 N THR A 64 0.241 9.022 -19.677 1.00 0.00 N ATOM 1072 CA THR A 64 0.415 7.644 -20.118 1.00 0.00 C ATOM 1073 C THR A 64 1.679 7.032 -19.525 1.00 0.00 C ATOM 1074 O THR A 64 2.567 7.747 -19.061 1.00 0.00 O ATOM 1075 CB THR A 64 0.485 7.549 -21.654 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.647 6.184 -22.054 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.636 8.383 -22.195 1.00 0.00 C ATOM 0 H THR A 64 1.004 9.381 -19.103 1.00 0.00 H new ATOM 0 HA THR A 64 -0.454 7.089 -19.766 1.00 0.00 H new ATOM 0 HB THR A 64 -0.448 7.937 -22.063 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.689 6.132 -23.032 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.666 8.301 -23.281 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.493 9.426 -21.914 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.575 8.021 -21.778 1.00 0.00 H new ATOM 1085 N ALA A 65 1.754 5.705 -19.543 1.00 0.00 N ATOM 1086 CA ALA A 65 2.912 4.998 -19.010 1.00 0.00 C ATOM 1087 C ALA A 65 3.516 4.067 -20.055 1.00 0.00 C ATOM 1088 O ALA A 65 2.796 3.455 -20.844 1.00 0.00 O ATOM 1089 CB ALA A 65 2.524 4.216 -17.764 1.00 0.00 C ATOM 0 H ALA A 65 1.026 5.098 -19.921 1.00 0.00 H new ATOM 0 HA ALA A 65 3.667 5.737 -18.742 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.398 3.693 -17.376 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.146 4.903 -17.006 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.749 3.492 -18.016 1.00 0.00 H new ATOM 1095 N GLN A 66 4.841 3.965 -20.055 1.00 0.00 N ATOM 1096 CA GLN A 66 5.541 3.109 -21.005 1.00 0.00 C ATOM 1097 C GLN A 66 6.391 2.071 -20.279 1.00 0.00 C ATOM 1098 O GLN A 66 7.141 2.402 -19.360 1.00 0.00 O ATOM 1099 CB GLN A 66 6.422 3.951 -21.930 1.00 0.00 C ATOM 1100 CG GLN A 66 5.659 5.030 -22.680 1.00 0.00 C ATOM 1101 CD GLN A 66 6.546 6.185 -23.103 1.00 0.00 C ATOM 1102 OE1 GLN A 66 7.565 5.989 -23.765 1.00 0.00 O ATOM 1103 NE2 GLN A 66 6.161 7.398 -22.723 1.00 0.00 N ATOM 0 H GLN A 66 5.451 4.464 -19.408 1.00 0.00 H new ATOM 0 HA GLN A 66 4.794 2.586 -21.603 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.211 4.418 -21.341 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.909 3.294 -22.651 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.193 4.593 -23.563 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.855 5.407 -22.048 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.309 7.514 -22.175 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.718 8.213 -22.979 1.00 0.00 H new ATOM 1112 N TYR A 67 6.269 0.817 -20.697 1.00 0.00 N ATOM 1113 CA TYR A 67 7.025 -0.270 -20.085 1.00 0.00 C ATOM 1114 C TYR A 67 8.391 -0.424 -20.747 1.00 0.00 C ATOM 1115 O TYR A 67 8.491 -0.549 -21.967 1.00 0.00 O ATOM 1116 CB TYR A 67 6.245 -1.582 -20.186 1.00 0.00 C ATOM 1117 CG TYR A 67 7.070 -2.804 -19.850 1.00 0.00 C ATOM 1118 CD1 TYR A 67 7.973 -2.788 -18.794 1.00 0.00 C ATOM 1119 CD2 TYR A 67 6.947 -3.974 -20.589 1.00 0.00 C ATOM 1120 CE1 TYR A 67 8.729 -3.901 -18.484 1.00 0.00 C ATOM 1121 CE2 TYR A 67 7.698 -5.093 -20.285 1.00 0.00 C ATOM 1122 CZ TYR A 67 8.587 -5.052 -19.232 1.00 0.00 C ATOM 1123 OH TYR A 67 9.338 -6.164 -18.926 1.00 0.00 O ATOM 0 H TYR A 67 5.654 0.527 -21.457 1.00 0.00 H new ATOM 0 HA TYR A 67 7.177 -0.026 -19.034 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.387 -1.537 -19.515 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.853 -1.685 -21.198 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.085 -1.889 -18.206 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.252 -4.009 -21.415 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.427 -3.871 -17.661 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.589 -5.995 -20.869 1.00 0.00 H new ATOM 0 HH TYR A 67 9.117 -6.889 -19.547 1.00 0.00 H new ATOM 1133 N ASP A 68 9.440 -0.415 -19.932 1.00 0.00 N ATOM 1134 CA ASP A 68 10.801 -0.556 -20.436 1.00 0.00 C ATOM 1135 C ASP A 68 11.315 -1.977 -20.225 1.00 0.00 C ATOM 1136 O ASP A 68 11.391 -2.458 -19.095 1.00 0.00 O ATOM 1137 CB ASP A 68 11.730 0.443 -19.745 1.00 0.00 C ATOM 1138 CG ASP A 68 11.775 1.780 -20.458 1.00 0.00 C ATOM 1139 OD1 ASP A 68 11.111 1.917 -21.506 1.00 0.00 O ATOM 1140 OD2 ASP A 68 12.475 2.690 -19.967 1.00 0.00 O ATOM 0 H ASP A 68 9.374 -0.312 -18.919 1.00 0.00 H new ATOM 0 HA ASP A 68 10.788 -0.349 -21.506 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.398 0.593 -18.718 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.736 0.026 -19.697 1.00 0.00 H new ATOM 1145 N SER A 69 11.665 -2.643 -21.321 1.00 0.00 N ATOM 1146 CA SER A 69 12.166 -4.011 -21.256 1.00 0.00 C ATOM 1147 C SER A 69 13.671 -4.026 -21.003 1.00 0.00 C ATOM 1148 O SER A 69 14.156 -4.730 -20.117 1.00 0.00 O ATOM 1149 CB SER A 69 11.849 -4.755 -22.554 1.00 0.00 C ATOM 1150 OG SER A 69 12.535 -4.180 -23.653 1.00 0.00 O ATOM 0 H SER A 69 11.611 -2.258 -22.264 1.00 0.00 H new ATOM 0 HA SER A 69 11.670 -4.515 -20.426 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.131 -5.803 -22.454 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.775 -4.730 -22.738 1.00 0.00 H new ATOM 0 HG SER A 69 12.317 -4.675 -24.470 1.00 0.00 H new ATOM 1156 N LYS A 70 14.404 -3.244 -21.787 1.00 0.00 N ATOM 1157 CA LYS A 70 15.854 -3.165 -21.649 1.00 0.00 C ATOM 1158 C LYS A 70 16.245 -2.786 -20.224 1.00 0.00 C ATOM 1159 O LYS A 70 17.365 -3.050 -19.787 1.00 0.00 O ATOM 1160 CB LYS A 70 16.425 -2.143 -22.635 1.00 0.00 C ATOM 1161 CG LYS A 70 16.051 -0.707 -22.308 1.00 0.00 C ATOM 1162 CD LYS A 70 14.861 -0.240 -23.130 1.00 0.00 C ATOM 1163 CE LYS A 70 13.961 0.690 -22.331 1.00 0.00 C ATOM 1164 NZ LYS A 70 14.440 2.099 -22.377 1.00 0.00 N ATOM 0 H LYS A 70 14.018 -2.655 -22.525 1.00 0.00 H new ATOM 0 HA LYS A 70 16.270 -4.148 -21.872 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.511 -2.232 -22.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.072 -2.382 -23.638 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.817 -0.624 -21.247 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.904 -0.056 -22.498 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.214 0.274 -24.024 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.287 -1.104 -23.465 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.945 0.639 -22.724 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.920 0.354 -21.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.059 2.622 -21.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.479 2.114 -22.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.116 2.547 -23.258 1.00 0.00 H new ATOM 1178 N ASP A 71 15.315 -2.168 -19.505 1.00 0.00 N ATOM 1179 CA ASP A 71 15.562 -1.756 -18.128 1.00 0.00 C ATOM 1180 C ASP A 71 14.634 -2.491 -17.166 1.00 0.00 C ATOM 1181 O ASP A 71 14.829 -2.455 -15.952 1.00 0.00 O ATOM 1182 CB ASP A 71 15.374 -0.245 -17.984 1.00 0.00 C ATOM 1183 CG ASP A 71 15.993 0.296 -16.710 1.00 0.00 C ATOM 1184 OD1 ASP A 71 16.704 -0.468 -16.024 1.00 0.00 O ATOM 1185 OD2 ASP A 71 15.768 1.485 -16.401 1.00 0.00 O ATOM 0 H ASP A 71 14.383 -1.941 -19.852 1.00 0.00 H new ATOM 0 HA ASP A 71 16.592 -2.012 -17.877 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.819 0.257 -18.843 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.309 -0.011 -17.995 1.00 0.00 H new ATOM 1190 N GLU A 72 13.624 -3.156 -17.718 1.00 0.00 N ATOM 1191 CA GLU A 72 12.665 -3.898 -16.908 1.00 0.00 C ATOM 1192 C GLU A 72 11.976 -2.979 -15.903 1.00 0.00 C ATOM 1193 O GLU A 72 11.491 -3.429 -14.864 1.00 0.00 O ATOM 1194 CB GLU A 72 13.363 -5.043 -16.172 1.00 0.00 C ATOM 1195 CG GLU A 72 14.000 -6.064 -17.100 1.00 0.00 C ATOM 1196 CD GLU A 72 14.599 -7.239 -16.352 1.00 0.00 C ATOM 1197 OE1 GLU A 72 14.237 -7.440 -15.174 1.00 0.00 O ATOM 1198 OE2 GLU A 72 15.431 -7.957 -16.945 1.00 0.00 O ATOM 0 H GLU A 72 13.449 -3.196 -18.722 1.00 0.00 H new ATOM 0 HA GLU A 72 11.909 -4.312 -17.575 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.131 -4.629 -15.519 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.639 -5.548 -15.532 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.250 -6.429 -17.802 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.778 -5.578 -17.689 1.00 0.00 H new ATOM 1205 N CYS A 73 11.936 -1.689 -16.220 1.00 0.00 N ATOM 1206 CA CYS A 73 11.308 -0.706 -15.345 1.00 0.00 C ATOM 1207 C CYS A 73 10.048 -0.134 -15.987 1.00 0.00 C ATOM 1208 O CYS A 73 9.825 -0.290 -17.188 1.00 0.00 O ATOM 1209 CB CYS A 73 12.289 0.423 -15.025 1.00 0.00 C ATOM 1210 SG CYS A 73 12.602 1.544 -16.409 1.00 0.00 S ATOM 0 H CYS A 73 12.331 -1.300 -17.076 1.00 0.00 H new ATOM 0 HA CYS A 73 11.027 -1.207 -14.419 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.901 0.999 -14.185 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.235 -0.013 -14.703 1.00 0.00 H new ATOM 0 HG CYS A 73 13.881 1.752 -16.518 1.00 0.00 H new ATOM 1216 N ILE A 74 9.227 0.527 -15.178 1.00 0.00 N ATOM 1217 CA ILE A 74 7.989 1.122 -15.667 1.00 0.00 C ATOM 1218 C ILE A 74 8.026 2.642 -15.553 1.00 0.00 C ATOM 1219 O ILE A 74 8.391 3.187 -14.512 1.00 0.00 O ATOM 1220 CB ILE A 74 6.766 0.590 -14.896 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.669 -0.931 -15.037 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.493 1.255 -15.398 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.286 -1.386 -16.428 1.00 0.00 C ATOM 0 H ILE A 74 9.396 0.664 -14.182 1.00 0.00 H new ATOM 0 HA ILE A 74 7.897 0.841 -16.716 1.00 0.00 H new ATOM 0 HB ILE A 74 6.888 0.832 -13.840 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.628 -1.374 -14.770 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.934 -1.308 -14.325 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.638 0.869 -14.844 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.563 2.333 -15.252 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.364 1.041 -16.459 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.236 -2.475 -16.454 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.313 -0.972 -16.691 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.033 -1.040 -17.143 1.00 0.00 H new ATOM 1235 N ASN A 75 7.643 3.320 -16.629 1.00 0.00 N ATOM 1236 CA ASN A 75 7.632 4.779 -16.650 1.00 0.00 C ATOM 1237 C ASN A 75 6.202 5.311 -16.674 1.00 0.00 C ATOM 1238 O ASN A 75 5.411 4.957 -17.549 1.00 0.00 O ATOM 1239 CB ASN A 75 8.402 5.299 -17.865 1.00 0.00 C ATOM 1240 CG ASN A 75 9.761 4.643 -18.012 1.00 0.00 C ATOM 1241 OD1 ASN A 75 10.783 5.211 -17.625 1.00 0.00 O ATOM 1242 ND2 ASN A 75 9.780 3.439 -18.573 1.00 0.00 N ATOM 0 H ASN A 75 7.336 2.883 -17.498 1.00 0.00 H new ATOM 0 HA ASN A 75 8.119 5.134 -15.742 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.816 5.121 -18.767 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.530 6.378 -17.776 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.665 2.948 -18.697 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.909 3.005 -18.879 1.00 0.00 H new ATOM 1249 N VAL A 76 5.877 6.164 -15.707 1.00 0.00 N ATOM 1250 CA VAL A 76 4.544 6.746 -15.618 1.00 0.00 C ATOM 1251 C VAL A 76 4.590 8.258 -15.814 1.00 0.00 C ATOM 1252 O VAL A 76 5.322 8.963 -15.118 1.00 0.00 O ATOM 1253 CB VAL A 76 3.885 6.435 -14.261 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.443 6.921 -14.244 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.957 4.946 -13.963 1.00 0.00 C ATOM 0 H VAL A 76 6.519 6.467 -14.975 1.00 0.00 H new ATOM 0 HA VAL A 76 3.949 6.297 -16.414 1.00 0.00 H new ATOM 0 HB VAL A 76 4.432 6.965 -13.481 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.993 6.693 -13.278 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.420 7.998 -14.410 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.881 6.421 -15.033 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.487 4.744 -13.001 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.436 4.393 -14.744 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.000 4.632 -13.930 1.00 0.00 H new ATOM 1265 N LYS A 77 3.804 8.750 -16.765 1.00 0.00 N ATOM 1266 CA LYS A 77 3.753 10.179 -17.052 1.00 0.00 C ATOM 1267 C LYS A 77 2.406 10.768 -16.646 1.00 0.00 C ATOM 1268 O LYS A 77 1.363 10.139 -16.825 1.00 0.00 O ATOM 1269 CB LYS A 77 4.003 10.430 -18.541 1.00 0.00 C ATOM 1270 CG LYS A 77 4.031 11.902 -18.914 1.00 0.00 C ATOM 1271 CD LYS A 77 2.692 12.364 -19.463 1.00 0.00 C ATOM 1272 CE LYS A 77 2.868 13.381 -20.580 1.00 0.00 C ATOM 1273 NZ LYS A 77 3.516 12.782 -21.779 1.00 0.00 N ATOM 0 H LYS A 77 3.193 8.180 -17.351 1.00 0.00 H new ATOM 0 HA LYS A 77 4.534 10.669 -16.471 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.952 9.974 -18.823 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.226 9.932 -19.120 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.290 12.495 -18.037 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.809 12.075 -19.657 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.135 11.505 -19.836 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.100 12.803 -18.660 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.895 13.787 -20.858 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.471 14.215 -20.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.223 13.304 -22.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.550 12.836 -21.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.228 11.787 -21.868 1.00 0.00 H new ATOM 1287 N VAL A 78 2.436 11.979 -16.098 1.00 0.00 N ATOM 1288 CA VAL A 78 1.217 12.654 -15.669 1.00 0.00 C ATOM 1289 C VAL A 78 1.394 14.168 -15.682 1.00 0.00 C ATOM 1290 O VAL A 78 2.372 14.694 -15.152 1.00 0.00 O ATOM 1291 CB VAL A 78 0.797 12.209 -14.256 1.00 0.00 C ATOM 1292 CG1 VAL A 78 1.953 12.370 -13.280 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.419 12.995 -13.789 1.00 0.00 C ATOM 0 H VAL A 78 3.291 12.512 -15.941 1.00 0.00 H new ATOM 0 HA VAL A 78 0.435 12.377 -16.376 1.00 0.00 H new ATOM 0 HB VAL A 78 0.527 11.154 -14.292 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.638 12.051 -12.287 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.794 11.759 -13.608 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.257 13.416 -13.245 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.702 12.667 -12.789 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.179 14.058 -13.768 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.249 12.824 -14.475 1.00 0.00 H new ATOM 1303 N ALA A 79 0.439 14.864 -16.291 1.00 0.00 N ATOM 1304 CA ALA A 79 0.488 16.319 -16.370 1.00 0.00 C ATOM 1305 C ALA A 79 -0.010 16.957 -15.078 1.00 0.00 C ATOM 1306 O ALA A 79 -0.830 16.379 -14.364 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.333 16.810 -17.554 1.00 0.00 C ATOM 0 H ALA A 79 -0.377 14.444 -16.736 1.00 0.00 H new ATOM 0 HA ALA A 79 1.527 16.616 -16.513 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.288 17.898 -17.602 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.070 16.389 -18.475 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.369 16.495 -17.434 1.00 0.00 H new ATOM 1313 N LYS A 80 0.491 18.151 -14.782 1.00 0.00 N ATOM 1314 CA LYS A 80 0.097 18.869 -13.575 1.00 0.00 C ATOM 1315 C LYS A 80 -0.963 19.919 -13.889 1.00 0.00 C ATOM 1316 O LYS A 80 -1.411 20.043 -15.029 1.00 0.00 O ATOM 1317 CB LYS A 80 1.316 19.535 -12.933 1.00 0.00 C ATOM 1318 CG LYS A 80 1.887 20.679 -13.753 1.00 0.00 C ATOM 1319 CD LYS A 80 3.114 20.244 -14.537 1.00 0.00 C ATOM 1320 CE LYS A 80 4.283 19.934 -13.615 1.00 0.00 C ATOM 1321 NZ LYS A 80 4.595 21.075 -12.711 1.00 0.00 N ATOM 0 H LYS A 80 1.171 18.643 -15.362 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.327 18.149 -12.875 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.038 19.909 -11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.092 18.785 -12.782 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.127 21.050 -14.441 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.150 21.506 -13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.874 19.362 -15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.399 21.031 -15.235 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.051 19.051 -13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.162 19.693 -14.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.620 21.113 -12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.284 21.963 -13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.099 20.947 -11.806 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.360 20.675 -12.871 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.368 21.717 -13.038 1.00 0.00 C ATOM 1337 C LEU A 81 -1.713 23.079 -13.242 1.00 0.00 C ATOM 1338 O LEU A 81 -2.283 23.963 -13.880 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.293 21.759 -11.821 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.196 20.542 -11.620 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -5.097 20.739 -10.412 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.024 20.281 -12.870 1.00 0.00 C ATOM 0 H LEU A 81 -0.999 20.586 -11.921 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.956 21.481 -13.925 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.680 21.882 -10.928 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.923 22.645 -11.900 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.566 19.672 -11.438 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.732 19.862 -10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.485 20.876 -9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.721 21.620 -10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.661 19.411 -12.709 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.645 21.151 -13.083 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.360 20.093 -13.714 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.512 23.240 -12.697 1.00 0.00 N ATOM 1355 CA ASN A 82 0.221 24.495 -12.820 1.00 0.00 C ATOM 1356 C ASN A 82 1.662 24.243 -13.255 1.00 0.00 C ATOM 1357 O ASN A 82 2.458 23.677 -12.506 1.00 0.00 O ATOM 1358 CB ASN A 82 0.203 25.253 -11.491 1.00 0.00 C ATOM 1359 CG ASN A 82 -1.097 25.063 -10.735 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -1.996 25.901 -10.803 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -1.202 23.957 -10.007 1.00 0.00 N ATOM 0 H ASN A 82 -0.026 22.518 -12.166 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.270 25.100 -13.582 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.033 24.914 -10.871 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.359 26.315 -11.680 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.053 23.775 -9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.431 23.289 -9.980 1.00 0.00 H new ATOM 1368 N LYS A 83 1.990 24.667 -14.471 1.00 0.00 N ATOM 1369 CA LYS A 83 3.334 24.490 -15.007 1.00 0.00 C ATOM 1370 C LYS A 83 4.369 25.172 -14.117 1.00 0.00 C ATOM 1371 O LYS A 83 4.030 26.022 -13.295 1.00 0.00 O ATOM 1372 CB LYS A 83 3.417 25.054 -16.427 1.00 0.00 C ATOM 1373 CG LYS A 83 4.607 24.537 -17.218 1.00 0.00 C ATOM 1374 CD LYS A 83 4.353 24.603 -18.714 1.00 0.00 C ATOM 1375 CE LYS A 83 4.989 23.427 -19.440 1.00 0.00 C ATOM 1376 NZ LYS A 83 4.020 22.316 -19.651 1.00 0.00 N ATOM 0 H LYS A 83 1.342 25.136 -15.104 1.00 0.00 H new ATOM 0 HA LYS A 83 3.550 23.422 -15.033 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.500 24.806 -16.962 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.471 26.141 -16.375 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.492 25.125 -16.972 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.818 23.507 -16.929 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.279 24.610 -18.902 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.752 25.536 -19.111 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.375 23.760 -20.403 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.840 23.062 -18.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.492 21.534 -20.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.671 21.980 -18.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.220 22.657 -20.221 1.00 0.00 H new ATOM 1390 N ASN A 84 5.631 24.793 -14.288 1.00 0.00 N ATOM 1391 CA ASN A 84 6.715 25.369 -13.501 1.00 0.00 C ATOM 1392 C ASN A 84 6.532 25.063 -12.018 1.00 0.00 C ATOM 1393 O ASN A 84 7.089 25.748 -11.160 1.00 0.00 O ATOM 1394 CB ASN A 84 6.783 26.882 -13.717 1.00 0.00 C ATOM 1395 CG ASN A 84 7.785 27.269 -14.788 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.567 28.203 -14.613 1.00 0.00 O ATOM 1397 ND2 ASN A 84 7.766 26.549 -15.904 1.00 0.00 N ATOM 0 H ASN A 84 5.928 24.090 -14.964 1.00 0.00 H new ATOM 0 HA ASN A 84 7.651 24.920 -13.834 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.796 27.251 -13.996 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.052 27.368 -12.779 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.418 26.762 -16.659 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.100 25.783 -16.006 1.00 0.00 H new ATOM 1404 N GLU A 85 5.747 24.031 -11.724 1.00 0.00 N ATOM 1405 CA GLU A 85 5.490 23.636 -10.344 1.00 0.00 C ATOM 1406 C GLU A 85 6.365 22.451 -9.946 1.00 0.00 C ATOM 1407 O GLU A 85 6.464 21.465 -10.676 1.00 0.00 O ATOM 1408 CB GLU A 85 4.014 23.279 -10.159 1.00 0.00 C ATOM 1409 CG GLU A 85 3.663 22.860 -8.741 1.00 0.00 C ATOM 1410 CD GLU A 85 2.638 21.743 -8.700 1.00 0.00 C ATOM 1411 OE1 GLU A 85 2.987 20.603 -9.071 1.00 0.00 O ATOM 1412 OE2 GLU A 85 1.486 22.010 -8.296 1.00 0.00 O ATOM 0 H GLU A 85 5.278 23.454 -12.422 1.00 0.00 H new ATOM 0 HA GLU A 85 5.736 24.480 -9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.403 24.138 -10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.756 22.470 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.568 22.537 -8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.278 23.722 -8.196 1.00 0.00 H new ATOM 1419 N TYR A 86 6.999 22.556 -8.783 1.00 0.00 N ATOM 1420 CA TYR A 86 7.868 21.495 -8.288 1.00 0.00 C ATOM 1421 C TYR A 86 7.224 20.767 -7.112 1.00 0.00 C ATOM 1422 O TYR A 86 6.145 21.140 -6.651 1.00 0.00 O ATOM 1423 CB TYR A 86 9.221 22.071 -7.866 1.00 0.00 C ATOM 1424 CG TYR A 86 9.189 22.778 -6.531 1.00 0.00 C ATOM 1425 CD1 TYR A 86 9.405 22.082 -5.348 1.00 0.00 C ATOM 1426 CD2 TYR A 86 8.944 24.144 -6.452 1.00 0.00 C ATOM 1427 CE1 TYR A 86 9.375 22.725 -4.125 1.00 0.00 C ATOM 1428 CE2 TYR A 86 8.914 24.795 -5.234 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.130 24.081 -4.073 1.00 0.00 C ATOM 1430 OH TYR A 86 9.101 24.725 -2.858 1.00 0.00 O ATOM 0 H TYR A 86 6.927 23.365 -8.166 1.00 0.00 H new ATOM 0 HA TYR A 86 8.021 20.779 -9.096 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.952 21.264 -7.823 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.563 22.770 -8.629 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.600 21.020 -5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 86 8.774 24.706 -7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 86 9.543 22.168 -3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.723 25.857 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 86 8.917 25.678 -2.997 1.00 0.00 H new ATOM 1440 N PHE A 87 7.895 19.727 -6.629 1.00 0.00 N ATOM 1441 CA PHE A 87 7.390 18.945 -5.506 1.00 0.00 C ATOM 1442 C PHE A 87 8.466 18.766 -4.440 1.00 0.00 C ATOM 1443 O PHE A 87 9.660 18.822 -4.734 1.00 0.00 O ATOM 1444 CB PHE A 87 6.901 17.578 -5.989 1.00 0.00 C ATOM 1445 CG PHE A 87 5.714 17.655 -6.906 1.00 0.00 C ATOM 1446 CD1 PHE A 87 5.847 18.154 -8.192 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.466 17.227 -6.483 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.756 18.227 -9.037 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.372 17.296 -7.325 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.517 17.796 -8.604 1.00 0.00 C ATOM 0 H PHE A 87 8.790 19.406 -6.998 1.00 0.00 H new ATOM 0 HA PHE A 87 6.554 19.487 -5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.716 17.071 -6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.643 16.967 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.814 18.489 -8.538 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.347 16.835 -5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.872 18.621 -10.036 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.405 16.959 -6.983 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.664 17.850 -9.264 1.00 0.00 H new ATOM 1460 N GLU A 88 8.034 18.552 -3.201 1.00 0.00 N ATOM 1461 CA GLU A 88 8.961 18.366 -2.091 1.00 0.00 C ATOM 1462 C GLU A 88 8.842 16.959 -1.513 1.00 0.00 C ATOM 1463 O GLU A 88 9.843 16.336 -1.158 1.00 0.00 O ATOM 1464 CB GLU A 88 8.695 19.402 -0.997 1.00 0.00 C ATOM 1465 CG GLU A 88 7.221 19.582 -0.674 1.00 0.00 C ATOM 1466 CD GLU A 88 6.995 20.299 0.643 1.00 0.00 C ATOM 1467 OE1 GLU A 88 7.632 19.914 1.645 1.00 0.00 O ATOM 1468 OE2 GLU A 88 6.182 21.246 0.670 1.00 0.00 O ATOM 0 H GLU A 88 7.049 18.503 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 88 9.974 18.500 -2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.223 19.105 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.110 20.361 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.743 20.145 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.739 18.605 -0.639 1.00 0.00 H new ATOM 1475 N ASP A 89 7.612 16.465 -1.421 1.00 0.00 N ATOM 1476 CA ASP A 89 7.362 15.131 -0.887 1.00 0.00 C ATOM 1477 C ASP A 89 8.032 14.066 -1.749 1.00 0.00 C ATOM 1478 O ASP A 89 8.343 12.973 -1.274 1.00 0.00 O ATOM 1479 CB ASP A 89 5.858 14.866 -0.805 1.00 0.00 C ATOM 1480 CG ASP A 89 5.174 15.730 0.236 1.00 0.00 C ATOM 1481 OD1 ASP A 89 5.817 16.675 0.738 1.00 0.00 O ATOM 1482 OD2 ASP A 89 3.995 15.461 0.549 1.00 0.00 O ATOM 0 H ASP A 89 6.773 16.968 -1.709 1.00 0.00 H new ATOM 0 HA ASP A 89 7.788 15.082 0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.406 15.050 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.689 13.815 -0.569 1.00 0.00 H new ATOM 1487 N LEU A 90 8.252 14.391 -3.018 1.00 0.00 N ATOM 1488 CA LEU A 90 8.885 13.462 -3.948 1.00 0.00 C ATOM 1489 C LEU A 90 10.281 13.077 -3.468 1.00 0.00 C ATOM 1490 O LEU A 90 10.794 12.012 -3.810 1.00 0.00 O ATOM 1491 CB LEU A 90 8.967 14.083 -5.344 1.00 0.00 C ATOM 1492 CG LEU A 90 7.780 13.813 -6.269 1.00 0.00 C ATOM 1493 CD1 LEU A 90 6.508 14.420 -5.697 1.00 0.00 C ATOM 1494 CD2 LEU A 90 8.054 14.360 -7.662 1.00 0.00 C ATOM 0 H LEU A 90 8.001 15.291 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 90 8.275 12.560 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.078 15.162 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.871 13.717 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 90 7.641 12.734 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.674 14.218 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.302 13.981 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.635 15.497 -5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.198 14.159 -8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.220 15.436 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.940 13.878 -8.074 1.00 0.00 H new ATOM 1506 N ASP A 91 10.888 13.950 -2.672 1.00 0.00 N ATOM 1507 CA ASP A 91 12.223 13.700 -2.141 1.00 0.00 C ATOM 1508 C ASP A 91 12.206 12.539 -1.152 1.00 0.00 C ATOM 1509 O ASP A 91 13.211 11.851 -0.969 1.00 0.00 O ATOM 1510 CB ASP A 91 12.769 14.958 -1.462 1.00 0.00 C ATOM 1511 CG ASP A 91 14.148 14.744 -0.869 1.00 0.00 C ATOM 1512 OD1 ASP A 91 14.955 14.022 -1.491 1.00 0.00 O ATOM 1513 OD2 ASP A 91 14.419 15.297 0.217 1.00 0.00 O ATOM 0 H ASP A 91 10.477 14.837 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 91 12.875 13.434 -2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.811 15.770 -2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.082 15.269 -0.675 1.00 0.00 H new ATOM 1518 N LEU A 92 11.060 12.328 -0.515 1.00 0.00 N ATOM 1519 CA LEU A 92 10.912 11.251 0.457 1.00 0.00 C ATOM 1520 C LEU A 92 9.911 10.209 -0.033 1.00 0.00 C ATOM 1521 O LEU A 92 8.731 10.493 -0.236 1.00 0.00 O ATOM 1522 CB LEU A 92 10.460 11.813 1.806 1.00 0.00 C ATOM 1523 CG LEU A 92 11.224 13.037 2.313 1.00 0.00 C ATOM 1524 CD1 LEU A 92 12.708 12.904 2.007 1.00 0.00 C ATOM 1525 CD2 LEU A 92 10.663 14.309 1.696 1.00 0.00 C ATOM 0 H LEU A 92 10.219 12.889 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 92 11.882 10.768 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.404 12.073 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.543 11.023 2.552 1.00 0.00 H new ATOM 0 HG LEU A 92 11.100 13.096 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.236 13.784 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.102 12.013 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.851 12.819 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.219 15.170 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.756 14.259 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.612 14.411 1.966 1.00 0.00 H new ATOM 1537 N PRO A 93 10.392 8.971 -0.225 1.00 0.00 N ATOM 1538 CA PRO A 93 9.556 7.861 -0.691 1.00 0.00 C ATOM 1539 C PRO A 93 8.549 7.412 0.363 1.00 0.00 C ATOM 1540 O PRO A 93 7.667 6.598 0.087 1.00 0.00 O ATOM 1541 CB PRO A 93 10.568 6.748 -0.972 1.00 0.00 C ATOM 1542 CG PRO A 93 11.729 7.061 -0.092 1.00 0.00 C ATOM 1543 CD PRO A 93 11.788 8.561 -0.003 1.00 0.00 C ATOM 0 HA PRO A 93 8.956 8.139 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.151 5.767 -0.744 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.860 6.734 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.602 6.616 0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.653 6.658 -0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.154 8.892 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.455 8.982 -0.755 1.00 0.00 H new ATOM 1551 N THR A 94 8.686 7.947 1.572 1.00 0.00 N ATOM 1552 CA THR A 94 7.789 7.601 2.667 1.00 0.00 C ATOM 1553 C THR A 94 6.625 8.581 2.755 1.00 0.00 C ATOM 1554 O THR A 94 5.569 8.260 3.302 1.00 0.00 O ATOM 1555 CB THR A 94 8.532 7.582 4.017 1.00 0.00 C ATOM 1556 OG1 THR A 94 8.985 8.900 4.345 1.00 0.00 O ATOM 1557 CG2 THR A 94 9.717 6.630 3.969 1.00 0.00 C ATOM 0 H THR A 94 9.410 8.622 1.818 1.00 0.00 H new ATOM 0 HA THR A 94 7.405 6.603 2.457 1.00 0.00 H new ATOM 0 HB THR A 94 7.839 7.235 4.784 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.455 8.880 5.205 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.226 6.634 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.365 5.622 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.410 6.951 3.192 1.00 0.00 H new ATOM 1565 N LYS A 95 6.822 9.778 2.212 1.00 0.00 N ATOM 1566 CA LYS A 95 5.788 10.805 2.227 1.00 0.00 C ATOM 1567 C LYS A 95 4.590 10.383 1.382 1.00 0.00 C ATOM 1568 O LYS A 95 3.467 10.836 1.609 1.00 0.00 O ATOM 1569 CB LYS A 95 6.349 12.131 1.708 1.00 0.00 C ATOM 1570 CG LYS A 95 5.985 13.326 2.572 1.00 0.00 C ATOM 1571 CD LYS A 95 6.722 13.299 3.900 1.00 0.00 C ATOM 1572 CE LYS A 95 7.907 14.253 3.899 1.00 0.00 C ATOM 1573 NZ LYS A 95 8.909 13.893 4.940 1.00 0.00 N ATOM 0 H LYS A 95 7.689 10.060 1.756 1.00 0.00 H new ATOM 0 HA LYS A 95 5.456 10.936 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.435 12.056 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.982 12.300 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.225 14.247 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.910 13.332 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.037 13.569 4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.069 12.286 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.382 14.241 2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.555 15.270 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.701 14.566 4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.463 13.929 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.264 12.932 4.762 1.00 0.00 H new ATOM 1587 N LEU A 96 4.835 9.512 0.410 1.00 0.00 N ATOM 1588 CA LEU A 96 3.775 9.027 -0.468 1.00 0.00 C ATOM 1589 C LEU A 96 3.066 7.825 0.148 1.00 0.00 C ATOM 1590 O LEU A 96 1.842 7.708 0.074 1.00 0.00 O ATOM 1591 CB LEU A 96 4.351 8.649 -1.834 1.00 0.00 C ATOM 1592 CG LEU A 96 5.177 9.728 -2.536 1.00 0.00 C ATOM 1593 CD1 LEU A 96 4.564 11.101 -2.310 1.00 0.00 C ATOM 1594 CD2 LEU A 96 6.618 9.698 -2.047 1.00 0.00 C ATOM 0 H LEU A 96 5.758 9.127 0.209 1.00 0.00 H new ATOM 0 HA LEU A 96 3.047 9.828 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.976 7.764 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.526 8.368 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 96 5.173 9.523 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.165 11.856 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.550 11.117 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.537 11.316 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.191 10.472 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.641 9.878 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.055 8.723 -2.261 1.00 0.00 H new ATOM 1606 N LEU A 97 3.841 6.935 0.757 1.00 0.00 N ATOM 1607 CA LEU A 97 3.287 5.742 1.388 1.00 0.00 C ATOM 1608 C LEU A 97 2.528 6.103 2.661 1.00 0.00 C ATOM 1609 O LEU A 97 1.311 5.938 2.738 1.00 0.00 O ATOM 1610 CB LEU A 97 4.403 4.747 1.710 1.00 0.00 C ATOM 1611 CG LEU A 97 5.270 4.305 0.531 1.00 0.00 C ATOM 1612 CD1 LEU A 97 6.359 3.351 0.996 1.00 0.00 C ATOM 1613 CD2 LEU A 97 4.414 3.656 -0.547 1.00 0.00 C ATOM 0 H LEU A 97 4.855 7.017 0.827 1.00 0.00 H new ATOM 0 HA LEU A 97 2.589 5.281 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.051 5.191 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.954 3.860 2.157 1.00 0.00 H new ATOM 0 HG LEU A 97 5.747 5.188 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.966 3.048 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.990 3.850 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.903 2.470 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.048 3.348 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.908 2.784 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.672 4.371 -0.902 1.00 0.00 H new