USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 762 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 8 SER OG : rot 25:sc= 0.477 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -1.83! C(o=-3.4!,f=-1.8!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.551 USER MOD Single : A 81 ASN : amide:sc= -0.0161 K(o=-0.016,f=-1.4) USER MOD Single : A 87 SER OG : rot 83:sc= 1.08 USER MOD Single : A 92 GLN : amide:sc= -0.245 K(o=-0.24,f=-2.7!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -109:sc= 1.22 (180deg=-0.585) USER MOD Single : A 103 LYS NZ :NH3+ 152:sc= 1.22 (180deg=-0.59) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0.0732 USER MOD Single : A 114 SER OG : rot 180:sc= -0.117 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 121 HIS : no HE2:sc= -0.136 K(o=-0.14,f=-2.9!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -164:sc= -0.0527 (180deg=-0.403) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.693 X(o=-0.69,f=-1.1!) USER MOD Single : A 135 TYR OH : rot 30:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -162:sc= -0.086 (180deg=-0.42) USER MOD Single : A 145 MET CE :methyl 174:sc= 0 (180deg=-0.00621) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -111.950 -54.933 -23.613 1.00 17.93 N ATOM 109 CA SER A 8 -111.236 -53.722 -23.257 1.00 18.07 C ATOM 110 C SER A 8 -110.779 -52.995 -24.519 1.00 17.91 C ATOM 111 O SER A 8 -109.590 -52.970 -24.851 1.00 17.61 O ATOM 112 CB SER A 8 -110.051 -54.075 -22.364 1.00 18.00 C ATOM 113 OG SER A 8 -110.407 -55.097 -21.445 1.00 17.96 O ATOM 0 HA SER A 8 -111.897 -53.054 -22.706 1.00 18.07 H new ATOM 0 HB2 SER A 8 -109.212 -54.405 -22.977 1.00 18.00 H new ATOM 0 HB3 SER A 8 -109.720 -53.189 -21.822 1.00 18.00 H new ATOM 0 HG SER A 8 -111.149 -55.622 -21.811 1.00 17.96 H new ATOM 119 N LEU A 9 -111.746 -52.415 -25.217 1.00 18.20 N ATOM 120 CA LEU A 9 -111.502 -51.738 -26.483 1.00 18.26 C ATOM 121 C LEU A 9 -110.637 -50.502 -26.283 1.00 18.43 C ATOM 122 O LEU A 9 -109.804 -50.183 -27.127 1.00 18.25 O ATOM 123 CB LEU A 9 -112.831 -51.330 -27.128 1.00 18.77 C ATOM 124 CG LEU A 9 -113.569 -52.443 -27.876 1.00 18.82 C ATOM 125 CD1 LEU A 9 -114.553 -53.144 -26.955 1.00 19.04 C ATOM 126 CD2 LEU A 9 -114.290 -51.876 -29.088 1.00 18.92 C ATOM 0 H LEU A 9 -112.722 -52.401 -24.921 1.00 18.20 H new ATOM 0 HA LEU A 9 -110.975 -52.431 -27.138 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -113.488 -50.941 -26.350 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -112.642 -50.512 -27.823 1.00 18.77 H new ATOM 0 HG LEU A 9 -112.836 -53.174 -28.217 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -115.068 -53.932 -27.505 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -114.016 -53.581 -26.113 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -115.282 -52.423 -26.585 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -114.810 -52.679 -29.610 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -115.012 -51.126 -28.764 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -113.566 -51.416 -29.760 1.00 18.92 H new ATOM 138 N ASP A 10 -110.836 -49.821 -25.156 1.00 18.85 N ATOM 139 CA ASP A 10 -110.137 -48.567 -24.857 1.00 19.17 C ATOM 140 C ASP A 10 -108.617 -48.708 -24.974 1.00 18.74 C ATOM 141 O ASP A 10 -107.945 -47.803 -25.472 1.00 18.78 O ATOM 142 CB ASP A 10 -110.528 -48.055 -23.459 1.00 19.78 C ATOM 143 CG ASP A 10 -109.648 -48.596 -22.343 1.00 19.90 C ATOM 144 OD1 ASP A 10 -109.815 -49.777 -21.961 1.00 19.72 O ATOM 145 OD2 ASP A 10 -108.780 -47.847 -21.846 1.00 20.27 O ATOM 0 H ASP A 10 -111.483 -50.119 -24.426 1.00 18.85 H new ATOM 0 HA ASP A 10 -110.449 -47.836 -25.603 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -110.479 -46.966 -23.453 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -111.564 -48.328 -23.258 1.00 19.78 H new ATOM 150 N ASP A 11 -108.080 -49.845 -24.542 1.00 18.38 N ATOM 151 CA ASP A 11 -106.639 -50.083 -24.601 1.00 18.04 C ATOM 152 C ASP A 11 -106.175 -50.226 -26.044 1.00 17.56 C ATOM 153 O ASP A 11 -105.114 -49.730 -26.425 1.00 17.42 O ATOM 154 CB ASP A 11 -106.275 -51.340 -23.811 1.00 17.93 C ATOM 155 CG ASP A 11 -104.838 -51.775 -24.022 1.00 17.97 C ATOM 156 OD1 ASP A 11 -103.926 -50.979 -23.715 1.00 18.05 O ATOM 157 OD2 ASP A 11 -104.609 -52.899 -24.516 1.00 17.99 O ATOM 0 H ASP A 11 -108.619 -50.616 -24.148 1.00 18.38 H new ATOM 0 HA ASP A 11 -106.135 -49.225 -24.156 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -106.441 -51.157 -22.750 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -106.941 -52.152 -24.103 1.00 17.93 H new ATOM 162 N ILE A 12 -106.984 -50.897 -26.849 1.00 17.40 N ATOM 163 CA ILE A 12 -106.683 -51.060 -28.261 1.00 17.12 C ATOM 164 C ILE A 12 -106.828 -49.733 -28.980 1.00 17.38 C ATOM 165 O ILE A 12 -105.988 -49.367 -29.786 1.00 17.18 O ATOM 166 CB ILE A 12 -107.608 -52.080 -28.930 1.00 17.14 C ATOM 167 CG1 ILE A 12 -107.635 -53.374 -28.119 1.00 16.99 C ATOM 168 CG2 ILE A 12 -107.145 -52.346 -30.359 1.00 17.02 C ATOM 169 CD1 ILE A 12 -108.904 -54.174 -28.299 1.00 17.20 C ATOM 0 H ILE A 12 -107.854 -51.337 -26.548 1.00 17.40 H new ATOM 0 HA ILE A 12 -105.658 -51.423 -28.330 1.00 17.12 H new ATOM 0 HB ILE A 12 -108.620 -51.676 -28.966 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -106.783 -53.990 -28.406 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -107.514 -53.134 -27.063 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -107.809 -53.073 -30.827 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -107.166 -51.416 -30.927 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -106.129 -52.739 -30.345 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -108.853 -55.079 -27.694 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -109.759 -53.575 -27.985 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -109.017 -54.446 -29.349 1.00 17.20 H new ATOM 181 N ILE A 13 -107.917 -49.034 -28.691 1.00 17.90 N ATOM 182 CA ILE A 13 -108.128 -47.675 -29.194 1.00 18.37 C ATOM 183 C ILE A 13 -106.904 -46.810 -28.919 1.00 18.32 C ATOM 184 O ILE A 13 -106.447 -46.061 -29.780 1.00 18.33 O ATOM 185 CB ILE A 13 -109.369 -47.026 -28.545 1.00 19.08 C ATOM 186 CG1 ILE A 13 -110.637 -47.781 -28.949 1.00 19.19 C ATOM 187 CG2 ILE A 13 -109.483 -45.558 -28.936 1.00 19.74 C ATOM 188 CD1 ILE A 13 -111.846 -47.426 -28.112 1.00 19.76 C ATOM 0 H ILE A 13 -108.676 -49.385 -28.107 1.00 17.90 H new ATOM 0 HA ILE A 13 -108.291 -47.743 -30.270 1.00 18.37 H new ATOM 0 HB ILE A 13 -109.254 -47.083 -27.463 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -110.856 -47.572 -29.996 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -110.453 -48.852 -28.870 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -110.365 -45.124 -28.466 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -108.594 -45.023 -28.603 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -109.572 -45.476 -30.019 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -112.707 -47.999 -28.455 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -111.647 -47.661 -27.067 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -112.057 -46.361 -28.210 1.00 19.76 H new ATOM 200 N LYS A 14 -106.377 -46.930 -27.714 1.00 18.34 N ATOM 201 CA LYS A 14 -105.146 -46.252 -27.335 1.00 18.38 C ATOM 202 C LYS A 14 -104.001 -46.628 -28.271 1.00 17.73 C ATOM 203 O LYS A 14 -103.347 -45.762 -28.856 1.00 17.76 O ATOM 204 CB LYS A 14 -104.782 -46.615 -25.900 1.00 18.59 C ATOM 205 CG LYS A 14 -105.481 -45.751 -24.867 1.00 19.27 C ATOM 206 CD LYS A 14 -105.330 -44.277 -25.191 1.00 19.91 C ATOM 207 CE LYS A 14 -103.979 -43.746 -24.738 1.00 20.52 C ATOM 208 NZ LYS A 14 -104.002 -43.325 -23.314 1.00 21.03 N ATOM 0 H LYS A 14 -106.787 -47.497 -26.972 1.00 18.34 H new ATOM 0 HA LYS A 14 -105.308 -45.177 -27.412 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -105.036 -47.660 -25.721 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -103.704 -46.522 -25.771 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -106.539 -46.011 -24.828 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -105.066 -45.953 -23.879 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -105.441 -44.126 -26.265 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -106.126 -43.713 -24.705 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -103.220 -44.516 -24.877 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -103.693 -42.900 -25.363 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -103.063 -42.969 -23.042 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -104.708 -42.572 -23.186 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -104.250 -44.138 -22.715 1.00 21.03 H new ATOM 222 N LEU A 15 -103.780 -47.928 -28.425 1.00 17.23 N ATOM 223 CA LEU A 15 -102.737 -48.430 -29.311 1.00 16.69 C ATOM 224 C LEU A 15 -103.036 -48.048 -30.759 1.00 16.61 C ATOM 225 O LEU A 15 -102.129 -47.910 -31.572 1.00 16.40 O ATOM 226 CB LEU A 15 -102.613 -49.949 -29.182 1.00 16.34 C ATOM 227 CG LEU A 15 -101.231 -50.461 -28.760 1.00 16.28 C ATOM 228 CD1 LEU A 15 -100.230 -50.306 -29.895 1.00 16.26 C ATOM 229 CD2 LEU A 15 -100.745 -49.733 -27.515 1.00 16.28 C ATOM 0 H LEU A 15 -104.311 -48.656 -27.946 1.00 17.23 H new ATOM 0 HA LEU A 15 -101.790 -47.975 -29.019 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -103.348 -50.296 -28.456 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -102.873 -50.401 -30.139 1.00 16.34 H new ATOM 0 HG LEU A 15 -101.319 -51.522 -28.524 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -99.256 -50.675 -29.574 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -100.568 -50.878 -30.759 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -100.148 -49.253 -30.166 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -99.763 -50.111 -27.232 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -100.677 -48.665 -27.721 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -101.447 -49.901 -26.698 1.00 16.28 H new ATOM 241 N ASN A 16 -104.315 -47.876 -31.061 1.00 16.87 N ATOM 242 CA ASN A 16 -104.757 -47.477 -32.389 1.00 17.01 C ATOM 243 C ASN A 16 -104.424 -46.015 -32.646 1.00 17.40 C ATOM 244 O ASN A 16 -104.030 -45.644 -33.750 1.00 17.38 O ATOM 245 CB ASN A 16 -106.263 -47.688 -32.541 1.00 17.36 C ATOM 246 CG ASN A 16 -106.600 -49.009 -33.192 1.00 17.34 C ATOM 247 OD1 ASN A 16 -107.136 -49.925 -32.407 1.00 17.60 O flip ATOM 248 ND2 ASN A 16 -106.371 -49.209 -34.387 1.00 17.15 N flip ATOM 0 H ASN A 16 -105.074 -48.009 -30.393 1.00 16.87 H new ATOM 0 HA ASN A 16 -104.234 -48.097 -33.117 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -106.734 -47.640 -31.559 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -106.682 -46.876 -33.136 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -105.955 -48.472 -34.957 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -106.597 -50.111 -34.806 1.00 17.15 H new ATOM 255 N ARG A 17 -104.595 -45.191 -31.616 1.00 17.84 N ATOM 256 CA ARG A 17 -104.265 -43.770 -31.693 1.00 18.36 C ATOM 257 C ARG A 17 -102.775 -43.597 -31.940 1.00 18.04 C ATOM 258 O ARG A 17 -102.339 -42.635 -32.577 1.00 18.25 O ATOM 259 CB ARG A 17 -104.669 -43.055 -30.400 1.00 19.06 C ATOM 260 CG ARG A 17 -106.158 -42.776 -30.301 1.00 19.37 C ATOM 261 CD ARG A 17 -106.648 -42.854 -28.863 1.00 19.91 C ATOM 262 NE ARG A 17 -108.045 -42.435 -28.736 1.00 20.74 N ATOM 263 CZ ARG A 17 -108.688 -42.319 -27.572 1.00 21.41 C ATOM 264 NH1 ARG A 17 -108.054 -42.558 -26.433 1.00 21.38 N ATOM 265 NH2 ARG A 17 -109.965 -41.962 -27.548 1.00 22.20 N ATOM 0 H ARG A 17 -104.963 -45.485 -30.711 1.00 17.84 H new ATOM 0 HA ARG A 17 -104.818 -43.328 -32.521 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -104.364 -43.663 -29.548 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -104.126 -42.113 -30.330 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -106.371 -41.786 -30.705 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -106.705 -43.494 -30.912 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -106.541 -43.876 -28.499 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -106.022 -42.224 -28.232 1.00 19.91 H new ATOM 0 HE ARG A 17 -108.559 -42.218 -29.590 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -107.071 -42.832 -26.444 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -108.549 -42.468 -25.545 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -110.459 -41.775 -28.421 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -110.453 -41.874 -26.657 1.00 22.20 H new ATOM 279 N ASN A 18 -101.996 -44.527 -31.414 1.00 17.62 N ATOM 280 CA ASN A 18 -100.570 -44.580 -31.695 1.00 17.37 C ATOM 281 C ASN A 18 -100.341 -45.187 -33.077 1.00 16.66 C ATOM 282 O ASN A 18 -99.971 -44.487 -34.016 1.00 16.34 O ATOM 283 CB ASN A 18 -99.852 -45.403 -30.621 1.00 17.47 C ATOM 284 CG ASN A 18 -98.407 -45.701 -30.974 1.00 17.64 C ATOM 285 OD1 ASN A 18 -97.684 -44.845 -31.485 1.00 17.99 O ATOM 286 ND2 ASN A 18 -97.979 -46.924 -30.703 1.00 17.50 N ATOM 0 H ASN A 18 -102.329 -45.259 -30.787 1.00 17.62 H new ATOM 0 HA ASN A 18 -100.163 -43.569 -31.683 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -99.886 -44.864 -29.674 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -100.386 -46.342 -30.473 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -97.017 -47.187 -30.918 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -98.611 -47.603 -30.279 1.00 17.50 H new ATOM 700 N ALA A 44 -54.945 -14.750 -26.399 1.00 11.18 N ATOM 701 CA ALA A 44 -53.525 -14.839 -26.119 1.00 10.95 C ATOM 702 C ALA A 44 -52.762 -15.286 -27.360 1.00 11.14 C ATOM 703 O ALA A 44 -53.140 -16.267 -28.006 1.00 11.37 O ATOM 704 CB ALA A 44 -53.277 -15.800 -24.968 1.00 10.91 C ATOM 0 HA ALA A 44 -53.164 -13.851 -25.833 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -52.207 -15.859 -24.767 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -53.795 -15.443 -24.078 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -53.651 -16.789 -25.233 1.00 10.91 H new ATOM 710 N PRO A 45 -51.696 -14.553 -27.721 1.00 11.20 N ATOM 711 CA PRO A 45 -50.828 -14.900 -28.856 1.00 11.61 C ATOM 712 C PRO A 45 -50.298 -16.328 -28.759 1.00 11.90 C ATOM 713 O PRO A 45 -50.473 -17.134 -29.675 1.00 12.39 O ATOM 714 CB PRO A 45 -49.683 -13.893 -28.741 1.00 11.62 C ATOM 715 CG PRO A 45 -50.277 -12.728 -28.035 1.00 11.27 C ATOM 716 CD PRO A 45 -51.265 -13.305 -27.064 1.00 11.04 C ATOM 0 HA PRO A 45 -51.357 -14.857 -29.808 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -48.844 -14.309 -28.183 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -49.304 -13.610 -29.723 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -49.511 -12.151 -27.518 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -50.766 -12.052 -28.737 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -50.809 -13.498 -26.093 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -52.103 -12.630 -26.894 1.00 11.04 H new ATOM 724 N TYR A 46 -49.647 -16.635 -27.646 1.00 11.78 N ATOM 725 CA TYR A 46 -49.175 -17.985 -27.379 1.00 12.25 C ATOM 726 C TYR A 46 -49.267 -18.281 -25.895 1.00 12.17 C ATOM 727 O TYR A 46 -48.356 -17.963 -25.131 1.00 12.24 O ATOM 728 CB TYR A 46 -47.738 -18.167 -27.844 1.00 12.71 C ATOM 729 CG TYR A 46 -47.486 -19.486 -28.544 1.00 13.40 C ATOM 730 CD1 TYR A 46 -47.851 -20.688 -27.951 1.00 13.96 C ATOM 731 CD2 TYR A 46 -46.882 -19.529 -29.793 1.00 13.66 C ATOM 732 CE1 TYR A 46 -47.620 -21.894 -28.582 1.00 14.73 C ATOM 733 CE2 TYR A 46 -46.649 -20.731 -30.433 1.00 14.45 C ATOM 734 CZ TYR A 46 -47.020 -21.910 -29.823 1.00 14.98 C ATOM 735 OH TYR A 46 -46.793 -23.113 -30.454 1.00 15.86 O ATOM 0 H TYR A 46 -49.433 -15.962 -26.910 1.00 11.78 H new ATOM 0 HA TYR A 46 -49.808 -18.678 -27.933 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -47.478 -17.352 -28.520 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -47.074 -18.091 -26.983 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -48.323 -20.679 -26.980 1.00 13.96 H new ATOM 0 HD2 TYR A 46 -46.589 -18.607 -30.273 1.00 13.66 H new ATOM 0 HE1 TYR A 46 -47.908 -22.820 -28.106 1.00 14.73 H new ATOM 0 HE2 TYR A 46 -46.179 -20.747 -31.405 1.00 14.45 H new ATOM 0 HH TYR A 46 -46.364 -22.952 -31.320 1.00 15.86 H new ATOM 745 N SER A 47 -50.387 -18.875 -25.510 1.00 12.21 N ATOM 746 CA SER A 47 -50.681 -19.233 -24.119 1.00 12.38 C ATOM 747 C SER A 47 -50.932 -17.996 -23.248 1.00 11.92 C ATOM 748 O SER A 47 -51.970 -17.892 -22.592 1.00 11.98 O ATOM 749 CB SER A 47 -49.555 -20.091 -23.528 1.00 12.96 C ATOM 750 OG SER A 47 -49.155 -21.100 -24.446 1.00 13.21 O ATOM 0 H SER A 47 -51.131 -19.128 -26.160 1.00 12.21 H new ATOM 0 HA SER A 47 -51.600 -19.819 -24.124 1.00 12.38 H new ATOM 0 HB2 SER A 47 -48.702 -19.459 -23.280 1.00 12.96 H new ATOM 0 HB3 SER A 47 -49.891 -20.551 -22.599 1.00 12.96 H new ATOM 0 HG SER A 47 -48.435 -21.635 -24.051 1.00 13.21 H new ATOM 756 N ARG A 48 -49.992 -17.063 -23.250 1.00 11.60 N ATOM 757 CA ARG A 48 -50.114 -15.848 -22.462 1.00 11.33 C ATOM 758 C ARG A 48 -49.602 -14.648 -23.250 1.00 10.91 C ATOM 759 O ARG A 48 -48.577 -14.735 -23.924 1.00 10.95 O ATOM 760 CB ARG A 48 -49.326 -15.983 -21.156 1.00 11.76 C ATOM 761 CG ARG A 48 -50.162 -16.473 -19.989 1.00 12.38 C ATOM 762 CD ARG A 48 -50.914 -15.330 -19.324 1.00 12.85 C ATOM 763 NE ARG A 48 -52.300 -15.687 -19.027 1.00 12.95 N ATOM 764 CZ ARG A 48 -52.687 -16.328 -17.926 1.00 13.65 C ATOM 765 NH1 ARG A 48 -51.795 -16.681 -17.006 1.00 14.27 N ATOM 766 NH2 ARG A 48 -53.970 -16.613 -17.745 1.00 13.88 N ATOM 0 H ARG A 48 -49.131 -17.126 -23.793 1.00 11.60 H new ATOM 0 HA ARG A 48 -51.168 -15.694 -22.229 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -48.496 -16.672 -21.312 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -48.893 -15.016 -20.901 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -50.872 -17.223 -20.338 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -49.517 -16.960 -19.257 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -50.406 -15.050 -18.401 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -50.896 -14.456 -19.976 1.00 12.85 H new ATOM 0 HE ARG A 48 -53.016 -15.429 -19.706 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -50.808 -16.461 -17.141 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -52.097 -17.172 -16.165 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -54.657 -16.341 -18.448 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -54.269 -17.104 -16.903 1.00 13.88 H new ATOM 780 N PRO A 49 -50.329 -13.525 -23.202 1.00 10.69 N ATOM 781 CA PRO A 49 -49.897 -12.272 -23.821 1.00 10.51 C ATOM 782 C PRO A 49 -48.762 -11.628 -23.034 1.00 10.52 C ATOM 783 O PRO A 49 -48.950 -11.205 -21.893 1.00 10.80 O ATOM 784 CB PRO A 49 -51.151 -11.383 -23.776 1.00 10.63 C ATOM 785 CG PRO A 49 -52.268 -12.278 -23.350 1.00 10.68 C ATOM 786 CD PRO A 49 -51.637 -13.385 -22.560 1.00 10.80 C ATOM 0 HA PRO A 49 -49.515 -12.422 -24.831 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -51.021 -10.559 -23.075 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -51.353 -10.942 -24.752 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -52.995 -11.734 -22.746 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -52.803 -12.672 -24.214 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -51.546 -13.130 -21.504 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -52.218 -14.306 -22.616 1.00 10.80 H new ATOM 794 N LYS A 50 -47.588 -11.559 -23.636 1.00 10.36 N ATOM 795 CA LYS A 50 -46.424 -11.006 -22.958 1.00 10.37 C ATOM 796 C LYS A 50 -46.012 -9.683 -23.595 1.00 10.32 C ATOM 797 O LYS A 50 -46.186 -9.485 -24.798 1.00 10.35 O ATOM 798 CB LYS A 50 -45.258 -11.999 -22.992 1.00 10.47 C ATOM 799 CG LYS A 50 -45.056 -12.666 -24.342 1.00 10.65 C ATOM 800 CD LYS A 50 -45.366 -14.150 -24.285 1.00 10.86 C ATOM 801 CE LYS A 50 -45.249 -14.795 -25.654 1.00 11.05 C ATOM 802 NZ LYS A 50 -44.217 -15.865 -25.678 1.00 11.40 N ATOM 0 H LYS A 50 -47.413 -11.877 -24.589 1.00 10.36 H new ATOM 0 HA LYS A 50 -46.691 -10.822 -21.917 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -44.342 -11.478 -22.715 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -45.427 -12.769 -22.239 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -45.696 -12.188 -25.084 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -44.026 -12.521 -24.669 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -44.682 -14.639 -23.591 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -46.374 -14.298 -23.897 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -46.213 -15.215 -25.941 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -45.000 -14.034 -26.393 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -44.169 -16.280 -26.631 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -43.292 -15.461 -25.429 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -44.468 -16.604 -24.991 1.00 11.40 H new ATOM 816 N PRO A 51 -45.495 -8.749 -22.789 1.00 10.48 N ATOM 817 CA PRO A 51 -45.005 -7.469 -23.278 1.00 10.66 C ATOM 818 C PRO A 51 -43.545 -7.551 -23.722 1.00 10.49 C ATOM 819 O PRO A 51 -42.657 -7.877 -22.932 1.00 10.76 O ATOM 820 CB PRO A 51 -45.155 -6.563 -22.059 1.00 11.11 C ATOM 821 CG PRO A 51 -44.974 -7.467 -20.883 1.00 11.13 C ATOM 822 CD PRO A 51 -45.357 -8.861 -21.326 1.00 10.75 C ATOM 0 HA PRO A 51 -45.546 -7.116 -24.156 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -44.410 -5.767 -22.064 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -46.134 -6.083 -22.041 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -43.941 -7.444 -20.536 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -45.598 -7.143 -20.050 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -44.594 -9.590 -21.052 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -46.288 -9.185 -20.862 1.00 10.75 H new ATOM 1136 N GLY A 74 -4.306 7.263 -8.216 1.00 10.27 N ATOM 1137 CA GLY A 74 -3.782 6.753 -6.974 1.00 10.44 C ATOM 1138 C GLY A 74 -2.370 7.226 -6.721 1.00 10.53 C ATOM 1139 O GLY A 74 -1.817 8.010 -7.494 1.00 10.94 O ATOM 0 HA2 GLY A 74 -4.424 7.070 -6.152 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -3.802 5.663 -6.992 1.00 10.44 H new ATOM 1143 N ALA A 75 -1.785 6.735 -5.647 1.00 10.31 N ATOM 1144 CA ALA A 75 -0.445 7.118 -5.257 1.00 10.45 C ATOM 1145 C ALA A 75 0.473 5.903 -5.252 1.00 10.02 C ATOM 1146 O ALA A 75 0.261 4.961 -4.488 1.00 9.68 O ATOM 1147 CB ALA A 75 -0.481 7.775 -3.888 1.00 10.74 C ATOM 0 H ALA A 75 -2.225 6.060 -5.021 1.00 10.31 H new ATOM 0 HA ALA A 75 -0.051 7.834 -5.979 1.00 10.45 H new ATOM 0 HB1 ALA A 75 0.529 8.063 -3.596 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -1.114 8.661 -3.926 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -0.884 7.073 -3.158 1.00 10.74 H new ATOM 1153 N LYS A 76 1.479 5.922 -6.112 1.00 10.22 N ATOM 1154 CA LYS A 76 2.389 4.790 -6.252 1.00 9.99 C ATOM 1155 C LYS A 76 3.710 5.045 -5.539 1.00 10.09 C ATOM 1156 O LYS A 76 4.450 5.959 -5.887 1.00 10.63 O ATOM 1157 CB LYS A 76 2.646 4.517 -7.737 1.00 10.41 C ATOM 1158 CG LYS A 76 3.708 3.461 -7.997 1.00 10.50 C ATOM 1159 CD LYS A 76 3.813 3.135 -9.476 1.00 11.20 C ATOM 1160 CE LYS A 76 4.720 1.940 -9.717 1.00 11.56 C ATOM 1161 NZ LYS A 76 4.319 1.170 -10.922 1.00 11.62 N ATOM 0 H LYS A 76 1.688 6.709 -6.726 1.00 10.22 H new ATOM 0 HA LYS A 76 1.921 3.920 -5.791 1.00 9.99 H new ATOM 0 HB2 LYS A 76 1.713 4.202 -8.205 1.00 10.41 H new ATOM 0 HB3 LYS A 76 2.947 5.447 -8.220 1.00 10.41 H new ATOM 0 HG2 LYS A 76 4.672 3.814 -7.631 1.00 10.50 H new ATOM 0 HG3 LYS A 76 3.468 2.556 -7.439 1.00 10.50 H new ATOM 0 HD2 LYS A 76 2.820 2.927 -9.876 1.00 11.20 H new ATOM 0 HD3 LYS A 76 4.198 4.001 -10.015 1.00 11.20 H new ATOM 0 HE2 LYS A 76 5.748 2.283 -9.832 1.00 11.56 H new ATOM 0 HE3 LYS A 76 4.697 1.286 -8.845 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 4.964 0.364 -11.049 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 3.347 0.820 -10.803 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 4.365 1.786 -11.759 1.00 11.62 H new ATOM 1175 N LEU A 77 3.990 4.234 -4.535 1.00 9.69 N ATOM 1176 CA LEU A 77 5.224 4.334 -3.772 1.00 9.77 C ATOM 1177 C LEU A 77 6.164 3.191 -4.158 1.00 9.68 C ATOM 1178 O LEU A 77 5.778 2.023 -4.103 1.00 9.42 O ATOM 1179 CB LEU A 77 4.875 4.303 -2.270 1.00 9.58 C ATOM 1180 CG LEU A 77 6.009 4.077 -1.245 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.425 2.615 -1.168 1.00 9.26 C ATOM 1182 CD2 LEU A 77 7.209 4.965 -1.540 1.00 10.17 C ATOM 0 H LEU A 77 3.369 3.487 -4.224 1.00 9.69 H new ATOM 0 HA LEU A 77 5.739 5.269 -3.992 1.00 9.77 H new ATOM 0 HB2 LEU A 77 4.392 5.249 -2.024 1.00 9.58 H new ATOM 0 HB3 LEU A 77 4.134 3.518 -2.120 1.00 9.58 H new ATOM 0 HG LEU A 77 5.612 4.356 -0.269 1.00 9.63 H new ATOM 0 HD11 LEU A 77 7.224 2.502 -0.436 1.00 9.26 H new ATOM 0 HD12 LEU A 77 5.570 2.009 -0.868 1.00 9.26 H new ATOM 0 HD13 LEU A 77 6.779 2.286 -2.145 1.00 9.26 H new ATOM 0 HD21 LEU A 77 7.988 4.781 -0.800 1.00 10.17 H new ATOM 0 HD22 LEU A 77 7.593 4.740 -2.535 1.00 10.17 H new ATOM 0 HD23 LEU A 77 6.907 6.011 -1.496 1.00 10.17 H new ATOM 1194 N LEU A 78 7.373 3.533 -4.576 1.00 10.10 N ATOM 1195 CA LEU A 78 8.396 2.539 -4.866 1.00 10.21 C ATOM 1196 C LEU A 78 9.565 2.673 -3.893 1.00 10.19 C ATOM 1197 O LEU A 78 10.346 3.622 -3.983 1.00 10.62 O ATOM 1198 CB LEU A 78 8.899 2.697 -6.302 1.00 10.97 C ATOM 1199 CG LEU A 78 7.808 2.793 -7.370 1.00 11.03 C ATOM 1200 CD1 LEU A 78 7.918 4.108 -8.129 1.00 11.63 C ATOM 1201 CD2 LEU A 78 7.901 1.612 -8.322 1.00 10.95 C ATOM 0 H LEU A 78 7.671 4.497 -4.723 1.00 10.10 H new ATOM 0 HA LEU A 78 7.953 1.550 -4.750 1.00 10.21 H new ATOM 0 HB2 LEU A 78 9.517 3.593 -6.356 1.00 10.97 H new ATOM 0 HB3 LEU A 78 9.543 1.850 -6.539 1.00 10.97 H new ATOM 0 HG LEU A 78 6.835 2.765 -6.879 1.00 11.03 H new ATOM 0 HD11 LEU A 78 7.134 4.159 -8.885 1.00 11.63 H new ATOM 0 HD12 LEU A 78 7.806 4.940 -7.434 1.00 11.63 H new ATOM 0 HD13 LEU A 78 8.893 4.168 -8.613 1.00 11.63 H new ATOM 0 HD21 LEU A 78 7.119 1.691 -9.078 1.00 10.95 H new ATOM 0 HD22 LEU A 78 8.877 1.612 -8.808 1.00 10.95 H new ATOM 0 HD23 LEU A 78 7.774 0.684 -7.764 1.00 10.95 H new ATOM 1213 N VAL A 79 9.666 1.743 -2.951 1.00 9.81 N ATOM 1214 CA VAL A 79 10.773 1.739 -1.995 1.00 9.81 C ATOM 1215 C VAL A 79 11.775 0.635 -2.301 1.00 10.08 C ATOM 1216 O VAL A 79 11.399 -0.502 -2.543 1.00 10.09 O ATOM 1217 CB VAL A 79 10.291 1.536 -0.546 1.00 9.37 C ATOM 1218 CG1 VAL A 79 9.704 2.808 0.029 1.00 9.42 C ATOM 1219 CG2 VAL A 79 9.286 0.410 -0.484 1.00 9.16 C ATOM 0 H VAL A 79 8.998 0.982 -2.826 1.00 9.81 H new ATOM 0 HA VAL A 79 11.244 2.717 -2.093 1.00 9.81 H new ATOM 0 HB VAL A 79 11.156 1.271 0.062 1.00 9.37 H new ATOM 0 HG11 VAL A 79 9.375 2.627 1.052 1.00 9.42 H new ATOM 0 HG12 VAL A 79 10.461 3.592 0.025 1.00 9.42 H new ATOM 0 HG13 VAL A 79 8.853 3.122 -0.576 1.00 9.42 H new ATOM 0 HG21 VAL A 79 8.953 0.276 0.545 1.00 9.16 H new ATOM 0 HG22 VAL A 79 8.430 0.651 -1.114 1.00 9.16 H new ATOM 0 HG23 VAL A 79 9.749 -0.511 -0.838 1.00 9.16 H new ATOM 1229 N SER A 80 13.045 0.989 -2.333 1.00 10.48 N ATOM 1230 CA SER A 80 14.118 0.005 -2.329 1.00 10.87 C ATOM 1231 C SER A 80 15.111 0.340 -1.228 1.00 10.93 C ATOM 1232 O SER A 80 15.915 1.262 -1.351 1.00 11.28 O ATOM 1233 CB SER A 80 14.818 -0.034 -3.689 1.00 11.70 C ATOM 1234 OG SER A 80 14.029 0.602 -4.682 1.00 11.92 O ATOM 0 H SER A 80 13.364 1.957 -2.362 1.00 10.48 H new ATOM 0 HA SER A 80 13.695 -0.981 -2.140 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.787 0.459 -3.618 1.00 11.70 H new ATOM 0 HB3 SER A 80 15.007 -1.068 -3.976 1.00 11.70 H new ATOM 0 HG SER A 80 14.496 0.567 -5.543 1.00 11.92 H new ATOM 1240 N ASN A 81 15.041 -0.411 -0.148 1.00 10.71 N ATOM 1241 CA ASN A 81 15.886 -0.156 1.004 1.00 10.82 C ATOM 1242 C ASN A 81 17.050 -1.137 1.023 1.00 11.07 C ATOM 1243 O ASN A 81 18.044 -0.942 0.320 1.00 11.33 O ATOM 1244 CB ASN A 81 15.055 -0.270 2.290 1.00 10.85 C ATOM 1245 CG ASN A 81 15.742 0.329 3.506 1.00 11.09 C ATOM 1246 OD1 ASN A 81 16.916 0.692 3.464 1.00 11.13 O ATOM 1247 ND2 ASN A 81 15.005 0.436 4.601 1.00 11.43 N ATOM 0 H ASN A 81 14.408 -1.204 -0.042 1.00 10.71 H new ATOM 0 HA ASN A 81 16.291 0.854 0.940 1.00 10.82 H new ATOM 0 HB2 ASN A 81 14.097 0.228 2.141 1.00 10.85 H new ATOM 0 HB3 ASN A 81 14.841 -1.321 2.484 1.00 10.85 H new ATOM 0 HD21 ASN A 81 15.408 0.831 5.450 1.00 11.43 H new ATOM 0 HD22 ASN A 81 14.034 0.123 4.595 1.00 11.43 H new ATOM 1254 N LEU A 82 16.875 -2.206 1.794 1.00 11.17 N ATOM 1255 CA LEU A 82 17.883 -3.244 2.007 1.00 11.63 C ATOM 1256 C LEU A 82 17.535 -4.001 3.281 1.00 11.86 C ATOM 1257 O LEU A 82 16.855 -5.028 3.236 1.00 12.01 O ATOM 1258 CB LEU A 82 19.305 -2.669 2.119 1.00 12.01 C ATOM 1259 CG LEU A 82 20.427 -3.708 2.090 1.00 12.36 C ATOM 1260 CD1 LEU A 82 21.129 -3.700 0.741 1.00 12.48 C ATOM 1261 CD2 LEU A 82 21.420 -3.451 3.213 1.00 12.61 C ATOM 0 H LEU A 82 16.007 -2.380 2.301 1.00 11.17 H new ATOM 0 HA LEU A 82 17.875 -3.908 1.142 1.00 11.63 H new ATOM 0 HB2 LEU A 82 19.461 -1.965 1.302 1.00 12.01 H new ATOM 0 HB3 LEU A 82 19.379 -2.102 3.047 1.00 12.01 H new ATOM 0 HG LEU A 82 19.987 -4.694 2.240 1.00 12.36 H new ATOM 0 HD11 LEU A 82 21.924 -4.446 0.740 1.00 12.48 H new ATOM 0 HD12 LEU A 82 20.411 -3.934 -0.044 1.00 12.48 H new ATOM 0 HD13 LEU A 82 21.556 -2.714 0.559 1.00 12.48 H new ATOM 0 HD21 LEU A 82 22.211 -4.200 3.177 1.00 12.61 H new ATOM 0 HD22 LEU A 82 21.854 -2.458 3.095 1.00 12.61 H new ATOM 0 HD23 LEU A 82 20.907 -3.511 4.173 1.00 12.61 H new ATOM 1273 N ASP A 83 17.980 -3.455 4.414 1.00 12.07 N ATOM 1274 CA ASP A 83 17.680 -4.007 5.730 1.00 12.45 C ATOM 1275 C ASP A 83 18.127 -5.460 5.841 1.00 12.57 C ATOM 1276 O ASP A 83 19.042 -5.893 5.139 1.00 13.12 O ATOM 1277 CB ASP A 83 16.184 -3.881 6.029 1.00 12.62 C ATOM 1278 CG ASP A 83 15.921 -3.497 7.465 1.00 13.10 C ATOM 1279 OD1 ASP A 83 15.883 -2.284 7.765 1.00 13.12 O ATOM 1280 OD2 ASP A 83 15.762 -4.407 8.302 1.00 13.59 O ATOM 0 H ASP A 83 18.559 -2.616 4.442 1.00 12.07 H new ATOM 0 HA ASP A 83 18.238 -3.433 6.470 1.00 12.45 H new ATOM 0 HB2 ASP A 83 15.745 -3.134 5.368 1.00 12.62 H new ATOM 0 HB3 ASP A 83 15.690 -4.828 5.812 1.00 12.62 H new ATOM 1285 N PHE A 84 17.490 -6.207 6.732 1.00 12.22 N ATOM 1286 CA PHE A 84 17.789 -7.622 6.890 1.00 12.46 C ATOM 1287 C PHE A 84 16.917 -8.452 5.956 1.00 12.41 C ATOM 1288 O PHE A 84 17.155 -9.644 5.756 1.00 12.73 O ATOM 1289 CB PHE A 84 17.565 -8.054 8.340 1.00 12.51 C ATOM 1290 CG PHE A 84 18.764 -8.709 8.965 1.00 12.50 C ATOM 1291 CD1 PHE A 84 20.044 -8.364 8.565 1.00 12.45 C ATOM 1292 CD2 PHE A 84 18.610 -9.670 9.951 1.00 12.69 C ATOM 1293 CE1 PHE A 84 21.149 -8.966 9.136 1.00 12.59 C ATOM 1294 CE2 PHE A 84 19.710 -10.274 10.526 1.00 12.83 C ATOM 1295 CZ PHE A 84 20.982 -9.919 10.121 1.00 12.79 C ATOM 0 H PHE A 84 16.763 -5.856 7.356 1.00 12.22 H new ATOM 0 HA PHE A 84 18.836 -7.787 6.634 1.00 12.46 H new ATOM 0 HB2 PHE A 84 17.289 -7.181 8.932 1.00 12.51 H new ATOM 0 HB3 PHE A 84 16.723 -8.745 8.378 1.00 12.51 H new ATOM 0 HD1 PHE A 84 20.180 -7.616 7.798 1.00 12.45 H new ATOM 0 HD2 PHE A 84 17.618 -9.950 10.273 1.00 12.69 H new ATOM 0 HE1 PHE A 84 22.142 -8.691 8.812 1.00 12.59 H new ATOM 0 HE2 PHE A 84 19.576 -11.024 11.292 1.00 12.83 H new ATOM 0 HZ PHE A 84 21.844 -10.386 10.574 1.00 12.79 H new ATOM 1305 N GLY A 85 15.919 -7.801 5.380 1.00 12.18 N ATOM 1306 CA GLY A 85 14.988 -8.480 4.506 1.00 12.33 C ATOM 1307 C GLY A 85 13.572 -7.980 4.699 1.00 12.00 C ATOM 1308 O GLY A 85 12.890 -8.374 5.646 1.00 12.39 O ATOM 0 H GLY A 85 15.737 -6.805 5.504 1.00 12.18 H new ATOM 0 HA2 GLY A 85 15.288 -8.331 3.469 1.00 12.33 H new ATOM 0 HA3 GLY A 85 15.025 -9.552 4.698 1.00 12.33 H new ATOM 1312 N VAL A 86 13.136 -7.094 3.817 1.00 11.43 N ATOM 1313 CA VAL A 86 11.790 -6.547 3.894 1.00 11.18 C ATOM 1314 C VAL A 86 10.825 -7.419 3.100 1.00 11.50 C ATOM 1315 O VAL A 86 10.902 -7.484 1.875 1.00 11.42 O ATOM 1316 CB VAL A 86 11.749 -5.101 3.345 1.00 10.44 C ATOM 1317 CG1 VAL A 86 10.348 -4.516 3.443 1.00 10.36 C ATOM 1318 CG2 VAL A 86 12.749 -4.220 4.080 1.00 10.15 C ATOM 0 H VAL A 86 13.694 -6.739 3.040 1.00 11.43 H new ATOM 0 HA VAL A 86 11.491 -6.532 4.942 1.00 11.18 H new ATOM 0 HB VAL A 86 12.026 -5.135 2.291 1.00 10.44 H new ATOM 0 HG11 VAL A 86 10.350 -3.499 3.050 1.00 10.36 H new ATOM 0 HG12 VAL A 86 9.657 -5.128 2.863 1.00 10.36 H new ATOM 0 HG13 VAL A 86 10.032 -4.501 4.486 1.00 10.36 H new ATOM 0 HG21 VAL A 86 12.705 -3.207 3.679 1.00 10.15 H new ATOM 0 HG22 VAL A 86 12.505 -4.201 5.142 1.00 10.15 H new ATOM 0 HG23 VAL A 86 13.754 -4.620 3.945 1.00 10.15 H new ATOM 1328 N SER A 87 9.939 -8.111 3.803 1.00 12.04 N ATOM 1329 CA SER A 87 8.952 -8.960 3.161 1.00 12.55 C ATOM 1330 C SER A 87 7.736 -8.158 2.702 1.00 12.18 C ATOM 1331 O SER A 87 7.635 -6.957 2.961 1.00 11.57 O ATOM 1332 CB SER A 87 8.530 -10.060 4.133 1.00 13.39 C ATOM 1333 OG SER A 87 9.497 -10.222 5.163 1.00 13.46 O ATOM 0 H SER A 87 9.886 -8.099 4.822 1.00 12.04 H new ATOM 0 HA SER A 87 9.400 -9.405 2.273 1.00 12.55 H new ATOM 0 HB2 SER A 87 7.563 -9.813 4.571 1.00 13.39 H new ATOM 0 HB3 SER A 87 8.405 -10.999 3.594 1.00 13.39 H new ATOM 0 HG SER A 87 9.341 -9.557 5.866 1.00 13.46 H new ATOM 1339 N ASP A 88 6.813 -8.850 2.039 1.00 12.66 N ATOM 1340 CA ASP A 88 5.607 -8.234 1.482 1.00 12.44 C ATOM 1341 C ASP A 88 4.824 -7.487 2.555 1.00 12.35 C ATOM 1342 O ASP A 88 4.413 -6.342 2.361 1.00 11.82 O ATOM 1343 CB ASP A 88 4.722 -9.316 0.853 1.00 13.21 C ATOM 1344 CG ASP A 88 4.032 -8.862 -0.417 1.00 13.68 C ATOM 1345 OD1 ASP A 88 4.729 -8.466 -1.374 1.00 14.23 O ATOM 1346 OD2 ASP A 88 2.785 -8.933 -0.477 1.00 13.63 O ATOM 0 H ASP A 88 6.878 -9.854 1.872 1.00 12.66 H new ATOM 0 HA ASP A 88 5.909 -7.515 0.720 1.00 12.44 H new ATOM 0 HB2 ASP A 88 5.332 -10.192 0.634 1.00 13.21 H new ATOM 0 HB3 ASP A 88 3.968 -9.625 1.577 1.00 13.21 H new ATOM 1351 N ALA A 89 4.639 -8.140 3.693 1.00 13.02 N ATOM 1352 CA ALA A 89 3.882 -7.565 4.795 1.00 13.24 C ATOM 1353 C ALA A 89 4.696 -6.539 5.581 1.00 12.75 C ATOM 1354 O ALA A 89 4.130 -5.727 6.308 1.00 12.82 O ATOM 1355 CB ALA A 89 3.390 -8.665 5.724 1.00 14.29 C ATOM 0 H ALA A 89 5.005 -9.074 3.878 1.00 13.02 H new ATOM 0 HA ALA A 89 3.028 -7.043 4.364 1.00 13.24 H new ATOM 0 HB1 ALA A 89 2.825 -8.223 6.545 1.00 14.29 H new ATOM 0 HB2 ALA A 89 2.748 -9.350 5.169 1.00 14.29 H new ATOM 0 HB3 ALA A 89 4.244 -9.212 6.125 1.00 14.29 H new ATOM 1361 N ASP A 90 6.019 -6.565 5.430 1.00 12.38 N ATOM 1362 CA ASP A 90 6.893 -5.668 6.188 1.00 12.03 C ATOM 1363 C ASP A 90 6.601 -4.212 5.846 1.00 11.35 C ATOM 1364 O ASP A 90 6.165 -3.439 6.698 1.00 11.52 O ATOM 1365 CB ASP A 90 8.363 -5.975 5.900 1.00 11.82 C ATOM 1366 CG ASP A 90 9.012 -6.828 6.970 1.00 12.43 C ATOM 1367 OD1 ASP A 90 9.343 -6.282 8.047 1.00 12.76 O ATOM 1368 OD2 ASP A 90 9.177 -8.043 6.755 1.00 12.67 O ATOM 0 H ASP A 90 6.509 -7.194 4.793 1.00 12.38 H new ATOM 0 HA ASP A 90 6.696 -5.830 7.248 1.00 12.03 H new ATOM 0 HB2 ASP A 90 8.440 -6.486 4.940 1.00 11.82 H new ATOM 0 HB3 ASP A 90 8.912 -5.038 5.808 1.00 11.82 H new ATOM 1373 N ILE A 91 6.858 -3.843 4.594 1.00 10.74 N ATOM 1374 CA ILE A 91 6.581 -2.491 4.113 1.00 10.19 C ATOM 1375 C ILE A 91 5.107 -2.114 4.292 1.00 10.43 C ATOM 1376 O ILE A 91 4.778 -0.941 4.477 1.00 10.36 O ATOM 1377 CB ILE A 91 6.993 -2.326 2.629 1.00 9.70 C ATOM 1378 CG1 ILE A 91 6.969 -0.848 2.224 1.00 9.11 C ATOM 1379 CG2 ILE A 91 6.090 -3.146 1.715 1.00 9.94 C ATOM 1380 CD1 ILE A 91 7.975 0.003 2.972 1.00 9.17 C ATOM 0 H ILE A 91 7.259 -4.464 3.891 1.00 10.74 H new ATOM 0 HA ILE A 91 7.181 -1.813 4.720 1.00 10.19 H new ATOM 0 HB ILE A 91 8.011 -2.699 2.519 1.00 9.70 H new ATOM 0 HG12 ILE A 91 7.164 -0.770 1.154 1.00 9.11 H new ATOM 0 HG13 ILE A 91 5.969 -0.449 2.396 1.00 9.11 H new ATOM 0 HG21 ILE A 91 6.402 -3.011 0.679 1.00 9.94 H new ATOM 0 HG22 ILE A 91 6.163 -4.200 1.982 1.00 9.94 H new ATOM 0 HG23 ILE A 91 5.058 -2.814 1.829 1.00 9.94 H new ATOM 0 HD11 ILE A 91 7.901 1.036 2.633 1.00 9.17 H new ATOM 0 HD12 ILE A 91 7.768 -0.044 4.041 1.00 9.17 H new ATOM 0 HD13 ILE A 91 8.981 -0.370 2.780 1.00 9.17 H new ATOM 1392 N GLN A 92 4.231 -3.114 4.262 1.00 10.89 N ATOM 1393 CA GLN A 92 2.809 -2.877 4.462 1.00 11.26 C ATOM 1394 C GLN A 92 2.554 -2.454 5.901 1.00 11.84 C ATOM 1395 O GLN A 92 1.841 -1.487 6.159 1.00 11.95 O ATOM 1396 CB GLN A 92 1.993 -4.126 4.125 1.00 11.85 C ATOM 1397 CG GLN A 92 0.498 -3.864 4.034 1.00 12.25 C ATOM 1398 CD GLN A 92 -0.334 -5.021 4.550 1.00 13.23 C ATOM 1399 OE1 GLN A 92 0.179 -5.932 5.199 1.00 13.70 O ATOM 1400 NE2 GLN A 92 -1.624 -4.992 4.267 1.00 13.70 N ATOM 0 H GLN A 92 4.481 -4.090 4.102 1.00 10.89 H new ATOM 0 HA GLN A 92 2.494 -2.077 3.791 1.00 11.26 H new ATOM 0 HB2 GLN A 92 2.341 -4.533 3.176 1.00 11.85 H new ATOM 0 HB3 GLN A 92 2.176 -4.886 4.885 1.00 11.85 H new ATOM 0 HG2 GLN A 92 0.256 -2.966 4.603 1.00 12.25 H new ATOM 0 HG3 GLN A 92 0.231 -3.665 2.996 1.00 12.25 H new ATOM 0 HE21 GLN A 92 -2.010 -4.218 3.726 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -2.234 -5.743 4.589 1.00 13.70 H new ATOM 1409 N GLU A 93 3.168 -3.176 6.830 1.00 12.34 N ATOM 1410 CA GLU A 93 3.065 -2.861 8.247 1.00 13.06 C ATOM 1411 C GLU A 93 3.709 -1.514 8.543 1.00 12.81 C ATOM 1412 O GLU A 93 3.234 -0.760 9.394 1.00 13.39 O ATOM 1413 CB GLU A 93 3.742 -3.950 9.077 1.00 13.62 C ATOM 1414 CG GLU A 93 2.873 -5.173 9.298 1.00 14.57 C ATOM 1415 CD GLU A 93 2.333 -5.247 10.707 1.00 15.36 C ATOM 1416 OE1 GLU A 93 1.582 -4.334 11.112 1.00 15.72 O ATOM 1417 OE2 GLU A 93 2.648 -6.225 11.414 1.00 15.75 O ATOM 0 H GLU A 93 3.747 -3.990 6.624 1.00 12.34 H new ATOM 0 HA GLU A 93 2.009 -2.811 8.513 1.00 13.06 H new ATOM 0 HB2 GLU A 93 4.663 -4.254 8.580 1.00 13.62 H new ATOM 0 HB3 GLU A 93 4.024 -3.535 10.045 1.00 13.62 H new ATOM 0 HG2 GLU A 93 2.042 -5.157 8.593 1.00 14.57 H new ATOM 0 HG3 GLU A 93 3.453 -6.071 9.086 1.00 14.57 H new ATOM 1424 N LEU A 94 4.800 -1.224 7.840 1.00 12.08 N ATOM 1425 CA LEU A 94 5.515 0.035 8.005 1.00 11.97 C ATOM 1426 C LEU A 94 4.617 1.227 7.684 1.00 11.94 C ATOM 1427 O LEU A 94 4.317 2.037 8.555 1.00 12.57 O ATOM 1428 CB LEU A 94 6.752 0.048 7.103 1.00 11.31 C ATOM 1429 CG LEU A 94 8.095 0.071 7.834 1.00 11.47 C ATOM 1430 CD1 LEU A 94 8.351 -1.259 8.526 1.00 11.42 C ATOM 1431 CD2 LEU A 94 9.220 0.391 6.863 1.00 11.53 C ATOM 0 H LEU A 94 5.209 -1.850 7.146 1.00 12.08 H new ATOM 0 HA LEU A 94 5.824 0.120 9.047 1.00 11.97 H new ATOM 0 HB2 LEU A 94 6.722 -0.832 6.461 1.00 11.31 H new ATOM 0 HB3 LEU A 94 6.697 0.920 6.452 1.00 11.31 H new ATOM 0 HG LEU A 94 8.060 0.851 8.594 1.00 11.47 H new ATOM 0 HD11 LEU A 94 9.311 -1.223 9.040 1.00 11.42 H new ATOM 0 HD12 LEU A 94 7.559 -1.451 9.250 1.00 11.42 H new ATOM 0 HD13 LEU A 94 8.367 -2.058 7.785 1.00 11.42 H new ATOM 0 HD21 LEU A 94 10.170 0.404 7.398 1.00 11.53 H new ATOM 0 HD22 LEU A 94 9.254 -0.369 6.082 1.00 11.53 H new ATOM 0 HD23 LEU A 94 9.044 1.368 6.412 1.00 11.53 H new ATOM 1443 N PHE A 95 4.218 1.349 6.423 1.00 11.31 N ATOM 1444 CA PHE A 95 3.289 2.407 6.014 1.00 11.29 C ATOM 1445 C PHE A 95 1.940 2.337 6.741 1.00 11.98 C ATOM 1446 O PHE A 95 1.184 3.306 6.733 1.00 12.28 O ATOM 1447 CB PHE A 95 3.073 2.373 4.505 1.00 10.57 C ATOM 1448 CG PHE A 95 3.950 3.320 3.743 1.00 10.24 C ATOM 1449 CD1 PHE A 95 3.714 4.684 3.781 1.00 10.59 C ATOM 1450 CD2 PHE A 95 5.017 2.848 2.995 1.00 9.80 C ATOM 1451 CE1 PHE A 95 4.525 5.561 3.089 1.00 10.56 C ATOM 1452 CE2 PHE A 95 5.832 3.720 2.301 1.00 9.76 C ATOM 1453 CZ PHE A 95 5.564 5.069 2.313 1.00 10.20 C ATOM 0 H PHE A 95 4.519 0.734 5.667 1.00 11.31 H new ATOM 0 HA PHE A 95 3.753 3.352 6.297 1.00 11.29 H new ATOM 0 HB2 PHE A 95 3.251 1.360 4.145 1.00 10.57 H new ATOM 0 HB3 PHE A 95 2.030 2.608 4.292 1.00 10.57 H new ATOM 0 HD1 PHE A 95 2.886 5.066 4.359 1.00 10.59 H new ATOM 0 HD2 PHE A 95 5.213 1.787 2.955 1.00 9.80 H new ATOM 0 HE1 PHE A 95 4.351 6.625 3.152 1.00 10.56 H new ATOM 0 HE2 PHE A 95 6.680 3.343 1.749 1.00 9.76 H new ATOM 0 HZ PHE A 95 6.162 5.744 1.719 1.00 10.20 H new ATOM 1463 N ALA A 96 1.628 1.202 7.360 1.00 12.37 N ATOM 1464 CA ALA A 96 0.444 1.115 8.210 1.00 13.23 C ATOM 1465 C ALA A 96 0.697 1.866 9.516 1.00 14.04 C ATOM 1466 O ALA A 96 -0.154 2.608 10.003 1.00 14.68 O ATOM 1467 CB ALA A 96 0.081 -0.337 8.482 1.00 13.64 C ATOM 0 H ALA A 96 2.170 0.341 7.291 1.00 12.37 H new ATOM 0 HA ALA A 96 -0.399 1.576 7.694 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -0.804 -0.378 9.117 1.00 13.64 H new ATOM 0 HB2 ALA A 96 -0.125 -0.843 7.539 1.00 13.64 H new ATOM 0 HB3 ALA A 96 0.912 -0.832 8.985 1.00 13.64 H new ATOM 1473 N GLU A 97 1.873 1.646 10.079 1.00 14.09 N ATOM 1474 CA GLU A 97 2.361 2.457 11.192 1.00 14.82 C ATOM 1475 C GLU A 97 2.399 3.927 10.766 1.00 14.74 C ATOM 1476 O GLU A 97 2.048 4.830 11.526 1.00 15.58 O ATOM 1477 CB GLU A 97 3.753 1.992 11.627 1.00 14.74 C ATOM 1478 CG GLU A 97 3.828 1.567 13.082 1.00 15.73 C ATOM 1479 CD GLU A 97 4.773 2.430 13.892 1.00 16.14 C ATOM 1480 OE1 GLU A 97 4.795 3.660 13.679 1.00 16.68 O ATOM 1481 OE2 GLU A 97 5.502 1.884 14.747 1.00 16.03 O ATOM 0 H GLU A 97 2.514 0.909 9.785 1.00 14.09 H new ATOM 0 HA GLU A 97 1.687 2.343 12.041 1.00 14.82 H new ATOM 0 HB2 GLU A 97 4.060 1.157 10.998 1.00 14.74 H new ATOM 0 HB3 GLU A 97 4.466 2.799 11.456 1.00 14.74 H new ATOM 0 HG2 GLU A 97 2.832 1.613 13.522 1.00 15.73 H new ATOM 0 HG3 GLU A 97 4.153 0.528 13.137 1.00 15.73 H new ATOM 1488 N PHE A 98 2.828 4.140 9.524 1.00 13.84 N ATOM 1489 CA PHE A 98 2.838 5.456 8.880 1.00 13.78 C ATOM 1490 C PHE A 98 1.425 6.018 8.654 1.00 14.08 C ATOM 1491 O PHE A 98 1.273 7.124 8.140 1.00 14.23 O ATOM 1492 CB PHE A 98 3.567 5.364 7.539 1.00 12.84 C ATOM 1493 CG PHE A 98 4.621 6.413 7.331 1.00 12.77 C ATOM 1494 CD1 PHE A 98 4.501 7.669 7.904 1.00 12.76 C ATOM 1495 CD2 PHE A 98 5.730 6.141 6.548 1.00 12.86 C ATOM 1496 CE1 PHE A 98 5.471 8.633 7.701 1.00 12.87 C ATOM 1497 CE2 PHE A 98 6.699 7.098 6.345 1.00 12.95 C ATOM 1498 CZ PHE A 98 6.572 8.346 6.920 1.00 12.97 C ATOM 0 H PHE A 98 3.184 3.394 8.926 1.00 13.84 H new ATOM 0 HA PHE A 98 3.356 6.139 9.553 1.00 13.78 H new ATOM 0 HB2 PHE A 98 4.030 4.381 7.458 1.00 12.84 H new ATOM 0 HB3 PHE A 98 2.834 5.439 6.735 1.00 12.84 H new ATOM 0 HD1 PHE A 98 3.641 7.897 8.516 1.00 12.76 H new ATOM 0 HD2 PHE A 98 5.836 5.168 6.092 1.00 12.86 H new ATOM 0 HE1 PHE A 98 5.367 9.609 8.153 1.00 12.87 H new ATOM 0 HE2 PHE A 98 7.560 6.871 5.734 1.00 12.95 H new ATOM 0 HZ PHE A 98 7.332 9.096 6.759 1.00 12.97 H new ATOM 1508 N GLY A 99 0.400 5.262 9.023 1.00 14.25 N ATOM 1509 CA GLY A 99 -0.958 5.709 8.783 1.00 14.54 C ATOM 1510 C GLY A 99 -1.830 4.673 8.103 1.00 14.14 C ATOM 1511 O GLY A 99 -2.284 3.721 8.735 1.00 14.45 O ATOM 0 H GLY A 99 0.483 4.354 9.481 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -1.413 5.986 9.734 1.00 14.54 H new ATOM 0 HA3 GLY A 99 -0.931 6.609 8.168 1.00 14.54 H new ATOM 1515 N THR A 100 -2.083 4.860 6.818 1.00 13.58 N ATOM 1516 CA THR A 100 -3.002 3.993 6.097 1.00 13.32 C ATOM 1517 C THR A 100 -2.373 3.440 4.824 1.00 12.31 C ATOM 1518 O THR A 100 -1.964 4.196 3.943 1.00 11.75 O ATOM 1519 CB THR A 100 -4.294 4.751 5.737 1.00 13.60 C ATOM 1520 OG1 THR A 100 -4.208 6.112 6.189 1.00 14.03 O ATOM 1521 CG2 THR A 100 -5.508 4.080 6.364 1.00 14.35 C ATOM 0 H THR A 100 -1.667 5.601 6.254 1.00 13.58 H new ATOM 0 HA THR A 100 -3.239 3.158 6.757 1.00 13.32 H new ATOM 0 HB THR A 100 -4.408 4.735 4.653 1.00 13.60 H new ATOM 0 HG1 THR A 100 -5.032 6.587 5.955 1.00 14.03 H new ATOM 0 HG21 THR A 100 -6.408 4.633 6.096 1.00 14.35 H new ATOM 0 HG22 THR A 100 -5.588 3.057 5.997 1.00 14.35 H new ATOM 0 HG23 THR A 100 -5.398 4.069 7.448 1.00 14.35 H new ATOM 1529 N LEU A 101 -2.294 2.118 4.733 1.00 12.24 N ATOM 1530 CA LEU A 101 -1.788 1.479 3.532 1.00 11.47 C ATOM 1531 C LEU A 101 -2.862 0.623 2.876 1.00 11.61 C ATOM 1532 O LEU A 101 -3.187 -0.471 3.340 1.00 12.28 O ATOM 1533 CB LEU A 101 -0.553 0.632 3.826 1.00 11.39 C ATOM 1534 CG LEU A 101 0.228 0.188 2.583 1.00 10.65 C ATOM 1535 CD1 LEU A 101 0.143 1.236 1.481 1.00 10.24 C ATOM 1536 CD2 LEU A 101 1.673 -0.074 2.937 1.00 10.45 C ATOM 0 H LEU A 101 -2.573 1.474 5.473 1.00 12.24 H new ATOM 0 HA LEU A 101 -1.501 2.272 2.842 1.00 11.47 H new ATOM 0 HB2 LEU A 101 0.114 1.199 4.475 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -0.860 -0.254 4.382 1.00 11.39 H new ATOM 0 HG LEU A 101 -0.221 -0.734 2.214 1.00 10.65 H new ATOM 0 HD11 LEU A 101 0.705 0.896 0.611 1.00 10.24 H new ATOM 0 HD12 LEU A 101 -0.900 1.387 1.202 1.00 10.24 H new ATOM 0 HD13 LEU A 101 0.563 2.176 1.840 1.00 10.24 H new ATOM 0 HD21 LEU A 101 2.215 -0.388 2.045 1.00 10.45 H new ATOM 0 HD22 LEU A 101 2.122 0.837 3.332 1.00 10.45 H new ATOM 0 HD23 LEU A 101 1.726 -0.860 3.690 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.414 1.160 1.804 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.423 0.459 1.026 1.00 11.26 C ATOM 1550 C LYS A 102 -3.854 -0.807 0.385 1.00 11.16 C ATOM 1551 O LYS A 102 -4.257 -1.918 0.735 1.00 11.79 O ATOM 1552 CB LYS A 102 -5.017 1.379 -0.035 1.00 10.93 C ATOM 1553 CG LYS A 102 -6.424 1.835 0.302 1.00 11.36 C ATOM 1554 CD LYS A 102 -7.449 0.762 -0.023 1.00 11.57 C ATOM 1555 CE LYS A 102 -8.775 1.031 0.669 1.00 12.20 C ATOM 1556 NZ LYS A 102 -9.658 1.915 -0.138 1.00 12.64 N ATOM 0 H LYS A 102 -3.179 2.087 1.449 1.00 11.11 H new ATOM 0 HA LYS A 102 -5.218 0.157 1.708 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -4.375 2.252 -0.152 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -5.028 0.861 -0.994 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -6.482 2.087 1.361 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -6.657 2.743 -0.255 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -7.602 0.718 -1.101 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -7.068 -0.212 0.284 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -9.284 0.085 0.857 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -8.590 1.492 1.639 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -9.721 2.849 0.314 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -9.264 2.019 -1.095 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -10.608 1.495 -0.199 1.00 12.64 H new ATOM 1570 N LYS A 103 -2.922 -0.647 -0.549 1.00 10.53 N ATOM 1571 CA LYS A 103 -2.323 -1.791 -1.228 1.00 10.59 C ATOM 1572 C LYS A 103 -0.805 -1.716 -1.144 1.00 10.09 C ATOM 1573 O LYS A 103 -0.240 -0.639 -1.249 1.00 9.59 O ATOM 1574 CB LYS A 103 -2.772 -1.837 -2.695 1.00 10.70 C ATOM 1575 CG LYS A 103 -3.464 -0.564 -3.164 1.00 10.37 C ATOM 1576 CD LYS A 103 -4.664 -0.860 -4.052 1.00 10.76 C ATOM 1577 CE LYS A 103 -5.968 -0.415 -3.400 1.00 11.04 C ATOM 1578 NZ LYS A 103 -6.732 0.532 -4.255 1.00 12.01 N ATOM 0 H LYS A 103 -2.566 0.260 -0.852 1.00 10.53 H new ATOM 0 HA LYS A 103 -2.657 -2.703 -0.734 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -1.903 -2.021 -3.326 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -3.449 -2.680 -2.832 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -3.788 0.013 -2.298 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -2.753 0.055 -3.711 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -4.543 -0.352 -5.009 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -4.708 -1.929 -4.261 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -6.584 -1.290 -3.190 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -5.750 0.058 -2.443 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -7.747 0.446 -4.047 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -6.420 1.505 -4.060 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -6.564 0.308 -5.257 1.00 12.01 H new ATOM 1592 N ALA A 104 -0.147 -2.844 -0.910 1.00 10.38 N ATOM 1593 CA ALA A 104 1.312 -2.881 -0.904 1.00 10.01 C ATOM 1594 C ALA A 104 1.833 -4.266 -1.270 1.00 10.44 C ATOM 1595 O ALA A 104 1.161 -5.271 -1.040 1.00 10.99 O ATOM 1596 CB ALA A 104 1.853 -2.456 0.454 1.00 9.89 C ATOM 0 H ALA A 104 -0.596 -3.741 -0.723 1.00 10.38 H new ATOM 0 HA ALA A 104 1.664 -2.178 -1.658 1.00 10.01 H new ATOM 0 HB1 ALA A 104 2.942 -2.490 0.439 1.00 9.89 H new ATOM 0 HB2 ALA A 104 1.525 -1.440 0.675 1.00 9.89 H new ATOM 0 HB3 ALA A 104 1.480 -3.133 1.222 1.00 9.89 H new ATOM 1602 N ALA A 105 3.025 -4.302 -1.853 1.00 10.39 N ATOM 1603 CA ALA A 105 3.680 -5.551 -2.221 1.00 10.98 C ATOM 1604 C ALA A 105 5.148 -5.297 -2.521 1.00 10.79 C ATOM 1605 O ALA A 105 5.500 -4.216 -2.978 1.00 10.39 O ATOM 1606 CB ALA A 105 3.008 -6.167 -3.432 1.00 11.52 C ATOM 0 H ALA A 105 3.564 -3.467 -2.084 1.00 10.39 H new ATOM 0 HA ALA A 105 3.598 -6.245 -1.385 1.00 10.98 H new ATOM 0 HB1 ALA A 105 3.510 -7.099 -3.692 1.00 11.52 H new ATOM 0 HB2 ALA A 105 1.962 -6.370 -3.203 1.00 11.52 H new ATOM 0 HB3 ALA A 105 3.068 -5.475 -4.272 1.00 11.52 H new ATOM 1612 N VAL A 106 5.997 -6.286 -2.283 1.00 11.23 N ATOM 1613 CA VAL A 106 7.430 -6.116 -2.493 1.00 11.21 C ATOM 1614 C VAL A 106 7.909 -6.746 -3.795 1.00 11.93 C ATOM 1615 O VAL A 106 7.189 -7.502 -4.455 1.00 12.59 O ATOM 1616 CB VAL A 106 8.271 -6.687 -1.332 1.00 11.39 C ATOM 1617 CG1 VAL A 106 8.040 -5.890 -0.058 1.00 10.93 C ATOM 1618 CG2 VAL A 106 7.977 -8.162 -1.119 1.00 11.99 C ATOM 0 H VAL A 106 5.723 -7.209 -1.947 1.00 11.23 H new ATOM 0 HA VAL A 106 7.578 -5.037 -2.543 1.00 11.21 H new ATOM 0 HB VAL A 106 9.324 -6.596 -1.599 1.00 11.39 H new ATOM 0 HG11 VAL A 106 8.642 -6.309 0.748 1.00 10.93 H new ATOM 0 HG12 VAL A 106 8.326 -4.851 -0.222 1.00 10.93 H new ATOM 0 HG13 VAL A 106 6.986 -5.937 0.215 1.00 10.93 H new ATOM 0 HG21 VAL A 106 8.583 -8.539 -0.295 1.00 11.99 H new ATOM 0 HG22 VAL A 106 6.921 -8.292 -0.882 1.00 11.99 H new ATOM 0 HG23 VAL A 106 8.215 -8.715 -2.027 1.00 11.99 H new ATOM 1628 N ASP A 107 9.138 -6.411 -4.139 1.00 11.95 N ATOM 1629 CA ASP A 107 9.756 -6.784 -5.394 1.00 12.77 C ATOM 1630 C ASP A 107 11.231 -7.081 -5.145 1.00 13.21 C ATOM 1631 O ASP A 107 11.763 -6.738 -4.090 1.00 12.80 O ATOM 1632 CB ASP A 107 9.605 -5.647 -6.409 1.00 12.61 C ATOM 1633 CG ASP A 107 9.430 -6.151 -7.824 1.00 13.52 C ATOM 1634 OD1 ASP A 107 10.411 -6.665 -8.404 1.00 14.12 O ATOM 1635 OD2 ASP A 107 8.307 -6.042 -8.360 1.00 13.74 O ATOM 0 H ASP A 107 9.748 -5.858 -3.537 1.00 11.95 H new ATOM 0 HA ASP A 107 9.269 -7.671 -5.799 1.00 12.77 H new ATOM 0 HB2 ASP A 107 8.746 -5.033 -6.137 1.00 12.61 H new ATOM 0 HB3 ASP A 107 10.484 -5.004 -6.362 1.00 12.61 H new ATOM 1640 N TYR A 108 11.897 -7.701 -6.106 1.00 14.11 N ATOM 1641 CA TYR A 108 13.277 -8.138 -5.914 1.00 14.67 C ATOM 1642 C TYR A 108 14.022 -8.155 -7.239 1.00 15.44 C ATOM 1643 O TYR A 108 13.451 -7.843 -8.286 1.00 15.72 O ATOM 1644 CB TYR A 108 13.334 -9.522 -5.263 1.00 15.38 C ATOM 1645 CG TYR A 108 13.566 -9.492 -3.763 1.00 14.91 C ATOM 1646 CD1 TYR A 108 14.845 -9.350 -3.225 1.00 14.54 C ATOM 1647 CD2 TYR A 108 12.497 -9.622 -2.881 1.00 15.00 C ATOM 1648 CE1 TYR A 108 15.043 -9.337 -1.857 1.00 14.26 C ATOM 1649 CE2 TYR A 108 12.693 -9.610 -1.514 1.00 14.74 C ATOM 1650 CZ TYR A 108 13.965 -9.469 -1.006 1.00 14.37 C ATOM 1651 OH TYR A 108 14.165 -9.463 0.357 1.00 14.27 O ATOM 0 H TYR A 108 11.509 -7.914 -7.025 1.00 14.11 H new ATOM 0 HA TYR A 108 13.760 -7.425 -5.246 1.00 14.67 H new ATOM 0 HB2 TYR A 108 12.400 -10.046 -5.465 1.00 15.38 H new ATOM 0 HB3 TYR A 108 14.131 -10.100 -5.732 1.00 15.38 H new ATOM 0 HD1 TYR A 108 15.693 -9.249 -3.887 1.00 14.54 H new ATOM 0 HD2 TYR A 108 11.497 -9.734 -3.273 1.00 15.00 H new ATOM 0 HE1 TYR A 108 16.039 -9.224 -1.455 1.00 14.26 H new ATOM 0 HE2 TYR A 108 11.851 -9.711 -0.845 1.00 14.74 H new ATOM 0 HH TYR A 108 13.304 -9.565 0.814 1.00 14.27 H new ATOM 1661 N ASP A 109 15.300 -8.506 -7.194 1.00 15.88 N ATOM 1662 CA ASP A 109 16.127 -8.518 -8.392 1.00 16.70 C ATOM 1663 C ASP A 109 15.998 -9.865 -9.089 1.00 17.75 C ATOM 1664 O ASP A 109 15.587 -10.846 -8.467 1.00 17.90 O ATOM 1665 CB ASP A 109 17.590 -8.252 -8.038 1.00 16.70 C ATOM 1666 CG ASP A 109 18.338 -7.541 -9.149 1.00 17.47 C ATOM 1667 OD1 ASP A 109 18.226 -7.965 -10.317 1.00 17.54 O ATOM 1668 OD2 ASP A 109 19.044 -6.557 -8.858 1.00 18.07 O ATOM 0 H ASP A 109 15.786 -8.786 -6.342 1.00 15.88 H new ATOM 0 HA ASP A 109 15.785 -7.729 -9.062 1.00 16.70 H new ATOM 0 HB2 ASP A 109 17.637 -7.650 -7.130 1.00 16.70 H new ATOM 0 HB3 ASP A 109 18.085 -9.198 -7.819 1.00 16.70 H new ATOM 1673 N ARG A 110 16.341 -9.908 -10.371 1.00 18.56 N ATOM 1674 CA ARG A 110 16.251 -11.126 -11.176 1.00 19.67 C ATOM 1675 C ARG A 110 16.954 -12.303 -10.510 1.00 20.06 C ATOM 1676 O ARG A 110 16.390 -13.389 -10.398 1.00 20.72 O ATOM 1677 CB ARG A 110 16.853 -10.887 -12.562 1.00 20.52 C ATOM 1678 CG ARG A 110 16.297 -9.663 -13.267 1.00 20.56 C ATOM 1679 CD ARG A 110 17.287 -8.509 -13.250 1.00 20.89 C ATOM 1680 NE ARG A 110 16.691 -7.270 -13.748 1.00 21.05 N ATOM 1681 CZ ARG A 110 16.785 -6.091 -13.129 1.00 21.24 C ATOM 1682 NH1 ARG A 110 17.426 -5.989 -11.968 1.00 21.27 N ATOM 1683 NH2 ARG A 110 16.230 -5.013 -13.667 1.00 21.49 N ATOM 0 H ARG A 110 16.690 -9.099 -10.885 1.00 18.56 H new ATOM 0 HA ARG A 110 15.194 -11.376 -11.270 1.00 19.67 H new ATOM 0 HB2 ARG A 110 17.933 -10.780 -12.465 1.00 20.52 H new ATOM 0 HB3 ARG A 110 16.674 -11.765 -13.182 1.00 20.52 H new ATOM 0 HG2 ARG A 110 16.051 -9.917 -14.298 1.00 20.56 H new ATOM 0 HG3 ARG A 110 15.370 -9.355 -12.785 1.00 20.56 H new ATOM 0 HD2 ARG A 110 17.647 -8.355 -12.233 1.00 20.89 H new ATOM 0 HD3 ARG A 110 18.153 -8.765 -13.860 1.00 20.89 H new ATOM 0 HE ARG A 110 16.170 -7.309 -14.624 1.00 21.05 H new ATOM 0 HH11 ARG A 110 17.850 -6.815 -11.545 1.00 21.27 H new ATOM 0 HH12 ARG A 110 17.494 -5.085 -11.501 1.00 21.27 H new ATOM 0 HH21 ARG A 110 15.731 -5.085 -14.554 1.00 21.49 H new ATOM 0 HH22 ARG A 110 16.302 -4.112 -13.194 1.00 21.49 H new ATOM 1697 N SER A 111 18.179 -12.083 -10.057 1.00 19.71 N ATOM 1698 CA SER A 111 18.959 -13.137 -9.427 1.00 20.09 C ATOM 1699 C SER A 111 18.761 -13.126 -7.914 1.00 19.34 C ATOM 1700 O SER A 111 19.364 -13.920 -7.190 1.00 19.58 O ATOM 1701 CB SER A 111 20.432 -12.940 -9.766 1.00 20.36 C ATOM 1702 OG SER A 111 20.630 -11.702 -10.433 1.00 20.33 O ATOM 0 H SER A 111 18.655 -11.183 -10.114 1.00 19.71 H new ATOM 0 HA SER A 111 18.622 -14.103 -9.804 1.00 20.09 H new ATOM 0 HB2 SER A 111 21.028 -12.967 -8.853 1.00 20.36 H new ATOM 0 HB3 SER A 111 20.778 -13.759 -10.397 1.00 20.36 H new ATOM 0 HG SER A 111 21.581 -11.591 -10.641 1.00 20.33 H new ATOM 1708 N GLY A 112 17.902 -12.231 -7.446 1.00 18.52 N ATOM 1709 CA GLY A 112 17.707 -12.067 -6.022 1.00 17.87 C ATOM 1710 C GLY A 112 18.913 -11.434 -5.366 1.00 17.53 C ATOM 1711 O GLY A 112 19.553 -12.043 -4.510 1.00 17.59 O ATOM 0 H GLY A 112 17.336 -11.615 -8.030 1.00 18.52 H new ATOM 0 HA2 GLY A 112 16.828 -11.448 -5.843 1.00 17.87 H new ATOM 0 HA3 GLY A 112 17.512 -13.038 -5.566 1.00 17.87 H new ATOM 1715 N ARG A 113 19.233 -10.215 -5.786 1.00 17.30 N ATOM 1716 CA ARG A 113 20.401 -9.502 -5.275 1.00 17.14 C ATOM 1717 C ARG A 113 20.207 -9.118 -3.812 1.00 16.20 C ATOM 1718 O ARG A 113 20.658 -9.820 -2.907 1.00 16.37 O ATOM 1719 CB ARG A 113 20.659 -8.246 -6.113 1.00 17.48 C ATOM 1720 CG ARG A 113 21.956 -8.285 -6.899 1.00 18.02 C ATOM 1721 CD ARG A 113 22.349 -6.897 -7.382 1.00 18.53 C ATOM 1722 NE ARG A 113 22.795 -6.036 -6.286 1.00 18.76 N ATOM 1723 CZ ARG A 113 24.050 -5.994 -5.837 1.00 19.39 C ATOM 1724 NH1 ARG A 113 24.980 -6.770 -6.376 1.00 19.85 N ATOM 1725 NH2 ARG A 113 24.373 -5.175 -4.846 1.00 19.68 N ATOM 0 H ARG A 113 18.698 -9.697 -6.483 1.00 17.30 H new ATOM 0 HA ARG A 113 21.263 -10.165 -5.346 1.00 17.14 H new ATOM 0 HB2 ARG A 113 19.830 -8.108 -6.807 1.00 17.48 H new ATOM 0 HB3 ARG A 113 20.671 -7.378 -5.454 1.00 17.48 H new ATOM 0 HG2 ARG A 113 22.750 -8.694 -6.275 1.00 18.02 H new ATOM 0 HG3 ARG A 113 21.846 -8.953 -7.754 1.00 18.02 H new ATOM 0 HD2 ARG A 113 23.145 -6.983 -8.121 1.00 18.53 H new ATOM 0 HD3 ARG A 113 21.499 -6.434 -7.882 1.00 18.53 H new ATOM 0 HE ARG A 113 22.105 -5.432 -5.839 1.00 18.76 H new ATOM 0 HH11 ARG A 113 24.737 -7.403 -7.138 1.00 19.85 H new ATOM 0 HH12 ARG A 113 25.938 -6.734 -6.029 1.00 19.85 H new ATOM 0 HH21 ARG A 113 23.661 -4.577 -4.426 1.00 19.68 H new ATOM 0 HH22 ARG A 113 25.333 -5.143 -4.503 1.00 19.68 H new ATOM 1739 N SER A 114 19.527 -8.003 -3.591 1.00 15.31 N ATOM 1740 CA SER A 114 19.266 -7.501 -2.253 1.00 14.46 C ATOM 1741 C SER A 114 18.074 -6.560 -2.320 1.00 13.60 C ATOM 1742 O SER A 114 16.943 -7.024 -2.406 1.00 13.37 O ATOM 1743 CB SER A 114 20.496 -6.785 -1.671 1.00 14.66 C ATOM 1744 OG SER A 114 21.607 -6.846 -2.554 1.00 15.43 O ATOM 0 H SER A 114 19.141 -7.422 -4.335 1.00 15.31 H new ATOM 0 HA SER A 114 19.045 -8.337 -1.589 1.00 14.46 H new ATOM 0 HB2 SER A 114 20.249 -5.743 -1.469 1.00 14.66 H new ATOM 0 HB3 SER A 114 20.764 -7.239 -0.717 1.00 14.66 H new ATOM 0 HG SER A 114 22.370 -6.380 -2.153 1.00 15.43 H new ATOM 1750 N LEU A 115 18.337 -5.243 -2.331 1.00 13.29 N ATOM 1751 CA LEU A 115 17.309 -4.206 -2.501 1.00 12.67 C ATOM 1752 C LEU A 115 16.103 -4.407 -1.588 1.00 11.82 C ATOM 1753 O LEU A 115 16.080 -3.909 -0.465 1.00 11.50 O ATOM 1754 CB LEU A 115 16.853 -4.057 -3.970 1.00 13.13 C ATOM 1755 CG LEU A 115 16.961 -5.296 -4.865 1.00 13.71 C ATOM 1756 CD1 LEU A 115 15.648 -5.539 -5.583 1.00 13.79 C ATOM 1757 CD2 LEU A 115 18.094 -5.132 -5.866 1.00 14.34 C ATOM 0 H LEU A 115 19.278 -4.866 -2.221 1.00 13.29 H new ATOM 0 HA LEU A 115 17.794 -3.276 -2.204 1.00 12.67 H new ATOM 0 HB2 LEU A 115 15.813 -3.730 -3.970 1.00 13.13 H new ATOM 0 HB3 LEU A 115 17.438 -3.258 -4.426 1.00 13.13 H new ATOM 0 HG LEU A 115 17.180 -6.161 -4.239 1.00 13.71 H new ATOM 0 HD11 LEU A 115 15.737 -6.422 -6.216 1.00 13.79 H new ATOM 0 HD12 LEU A 115 14.856 -5.696 -4.850 1.00 13.79 H new ATOM 0 HD13 LEU A 115 15.405 -4.674 -6.200 1.00 13.79 H new ATOM 0 HD21 LEU A 115 18.157 -6.021 -6.494 1.00 14.34 H new ATOM 0 HD22 LEU A 115 17.904 -4.259 -6.491 1.00 14.34 H new ATOM 0 HD23 LEU A 115 19.035 -4.998 -5.332 1.00 14.34 H new ATOM 1769 N GLY A 116 15.114 -5.137 -2.064 1.00 11.63 N ATOM 1770 CA GLY A 116 13.868 -5.232 -1.350 1.00 10.96 C ATOM 1771 C GLY A 116 12.939 -4.126 -1.778 1.00 10.62 C ATOM 1772 O GLY A 116 12.535 -3.289 -0.971 1.00 10.23 O ATOM 0 H GLY A 116 15.153 -5.667 -2.935 1.00 11.63 H new ATOM 0 HA2 GLY A 116 13.405 -6.200 -1.539 1.00 10.96 H new ATOM 0 HA3 GLY A 116 14.049 -5.170 -0.277 1.00 10.96 H new ATOM 1776 N THR A 117 12.634 -4.109 -3.067 1.00 10.92 N ATOM 1777 CA THR A 117 11.754 -3.111 -3.633 1.00 10.75 C ATOM 1778 C THR A 117 10.329 -3.363 -3.172 1.00 10.46 C ATOM 1779 O THR A 117 10.015 -4.455 -2.713 1.00 10.80 O ATOM 1780 CB THR A 117 11.804 -3.148 -5.171 1.00 11.45 C ATOM 1781 OG1 THR A 117 12.846 -4.035 -5.603 1.00 12.11 O ATOM 1782 CG2 THR A 117 12.040 -1.761 -5.746 1.00 11.71 C ATOM 0 H THR A 117 12.990 -4.785 -3.743 1.00 10.92 H new ATOM 0 HA THR A 117 12.085 -2.130 -3.294 1.00 10.75 H new ATOM 0 HB THR A 117 10.842 -3.509 -5.534 1.00 11.45 H new ATOM 0 HG1 THR A 117 12.872 -4.056 -6.582 1.00 12.11 H new ATOM 0 HG21 THR A 117 12.071 -1.819 -6.834 1.00 11.71 H new ATOM 0 HG22 THR A 117 11.231 -1.098 -5.440 1.00 11.71 H new ATOM 0 HG23 THR A 117 12.988 -1.371 -5.377 1.00 11.71 H new ATOM 1790 N ALA A 118 9.483 -2.356 -3.248 1.00 9.99 N ATOM 1791 CA ALA A 118 8.072 -2.547 -2.980 1.00 9.78 C ATOM 1792 C ALA A 118 7.237 -1.465 -3.631 1.00 9.60 C ATOM 1793 O ALA A 118 7.644 -0.306 -3.701 1.00 9.55 O ATOM 1794 CB ALA A 118 7.801 -2.586 -1.484 1.00 9.47 C ATOM 0 H ALA A 118 9.746 -1.401 -3.492 1.00 9.99 H new ATOM 0 HA ALA A 118 7.787 -3.507 -3.411 1.00 9.78 H new ATOM 0 HB1 ALA A 118 6.735 -2.730 -1.311 1.00 9.47 H new ATOM 0 HB2 ALA A 118 8.356 -3.410 -1.035 1.00 9.47 H new ATOM 0 HB3 ALA A 118 8.118 -1.646 -1.032 1.00 9.47 H new ATOM 1800 N ASP A 119 6.076 -1.871 -4.106 1.00 9.67 N ATOM 1801 CA ASP A 119 5.093 -0.960 -4.653 1.00 9.53 C ATOM 1802 C ASP A 119 3.896 -0.919 -3.721 1.00 9.23 C ATOM 1803 O ASP A 119 3.169 -1.907 -3.589 1.00 9.46 O ATOM 1804 CB ASP A 119 4.651 -1.414 -6.051 1.00 10.06 C ATOM 1805 CG ASP A 119 3.385 -0.718 -6.537 1.00 10.01 C ATOM 1806 OD1 ASP A 119 2.281 -1.184 -6.199 1.00 10.21 O ATOM 1807 OD2 ASP A 119 3.487 0.319 -7.234 1.00 9.84 O ATOM 0 H ASP A 119 5.787 -2.849 -4.123 1.00 9.67 H new ATOM 0 HA ASP A 119 5.533 0.033 -4.743 1.00 9.53 H new ATOM 0 HB2 ASP A 119 5.457 -1.223 -6.759 1.00 10.06 H new ATOM 0 HB3 ASP A 119 4.484 -2.491 -6.040 1.00 10.06 H new ATOM 1812 N VAL A 120 3.720 0.187 -3.032 1.00 8.97 N ATOM 1813 CA VAL A 120 2.541 0.365 -2.222 1.00 8.93 C ATOM 1814 C VAL A 120 1.694 1.471 -2.838 1.00 8.97 C ATOM 1815 O VAL A 120 2.222 2.406 -3.444 1.00 9.03 O ATOM 1816 CB VAL A 120 2.889 0.675 -0.744 1.00 9.02 C ATOM 1817 CG1 VAL A 120 4.115 -0.109 -0.300 1.00 9.07 C ATOM 1818 CG2 VAL A 120 3.119 2.150 -0.540 1.00 9.06 C ATOM 0 H VAL A 120 4.374 0.970 -3.018 1.00 8.97 H new ATOM 0 HA VAL A 120 1.976 -0.567 -2.207 1.00 8.93 H new ATOM 0 HB VAL A 120 2.039 0.370 -0.134 1.00 9.02 H new ATOM 0 HG11 VAL A 120 4.340 0.125 0.741 1.00 9.07 H new ATOM 0 HG12 VAL A 120 3.919 -1.177 -0.397 1.00 9.07 H new ATOM 0 HG13 VAL A 120 4.966 0.162 -0.925 1.00 9.07 H new ATOM 0 HG21 VAL A 120 3.361 2.339 0.506 1.00 9.06 H new ATOM 0 HG22 VAL A 120 3.945 2.480 -1.169 1.00 9.06 H new ATOM 0 HG23 VAL A 120 2.217 2.699 -0.808 1.00 9.06 H new ATOM 1828 N HIS A 121 0.392 1.347 -2.724 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.506 2.252 -3.391 1.00 9.24 C ATOM 1830 C HIS A 121 -1.523 2.811 -2.415 1.00 9.55 C ATOM 1831 O HIS A 121 -2.273 2.061 -1.786 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.215 1.521 -4.530 1.00 9.38 C ATOM 1833 CG HIS A 121 -0.628 1.792 -5.883 1.00 9.45 C ATOM 1834 ND1 HIS A 121 0.341 0.996 -6.468 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -0.892 2.772 -6.779 1.00 9.62 C ATOM 1836 CE1 HIS A 121 0.638 1.476 -7.661 1.00 9.94 C ATOM 1837 NE2 HIS A 121 -0.096 2.550 -7.873 1.00 9.93 N ATOM 0 H HIS A 121 -0.068 0.623 -2.172 1.00 9.13 H new ATOM 0 HA HIS A 121 0.069 3.084 -3.798 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -1.181 0.449 -4.338 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.266 1.810 -4.536 1.00 9.38 H new ATOM 0 HD1 HIS A 121 0.760 0.168 -6.044 1.00 9.62 H new ATOM 0 HD2 HIS A 121 -1.599 3.579 -6.655 1.00 9.62 H new ATOM 0 HE1 HIS A 121 1.360 1.059 -8.347 1.00 9.94 H new ATOM 1846 N PHE A 122 -1.527 4.121 -2.270 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.549 4.794 -1.488 1.00 10.32 C ATOM 1848 C PHE A 122 -3.531 5.463 -2.438 1.00 10.49 C ATOM 1849 O PHE A 122 -3.184 5.756 -3.582 1.00 10.27 O ATOM 1850 CB PHE A 122 -1.947 5.836 -0.534 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.487 5.652 -0.224 1.00 10.49 C ATOM 1852 CD1 PHE A 122 -0.081 4.842 0.824 1.00 10.41 C ATOM 1853 CD2 PHE A 122 0.481 6.273 -0.996 1.00 10.52 C ATOM 1854 CE1 PHE A 122 1.258 4.658 1.099 1.00 10.34 C ATOM 1855 CE2 PHE A 122 1.823 6.090 -0.728 1.00 10.36 C ATOM 1856 CZ PHE A 122 2.208 5.341 0.373 1.00 10.28 C ATOM 0 H PHE A 122 -0.833 4.743 -2.684 1.00 9.77 H new ATOM 0 HA PHE A 122 -3.059 4.052 -0.874 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -2.088 6.826 -0.967 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.506 5.815 0.401 1.00 10.72 H new ATOM 0 HD1 PHE A 122 -0.823 4.348 1.434 1.00 10.41 H new ATOM 0 HD2 PHE A 122 0.183 6.908 -1.817 1.00 10.52 H new ATOM 0 HE1 PHE A 122 1.561 3.979 1.883 1.00 10.34 H new ATOM 0 HE2 PHE A 122 2.570 6.529 -1.373 1.00 10.36 H new ATOM 0 HZ PHE A 122 3.248 5.293 0.660 1.00 10.28 H new ATOM 1866 N GLU A 123 -4.754 5.672 -1.986 1.00 11.02 N ATOM 1867 CA GLU A 123 -5.783 6.273 -2.829 1.00 11.27 C ATOM 1868 C GLU A 123 -5.623 7.788 -2.902 1.00 11.67 C ATOM 1869 O GLU A 123 -6.135 8.435 -3.814 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.174 5.925 -2.302 1.00 11.83 C ATOM 1871 CG GLU A 123 -7.225 4.613 -1.541 1.00 11.97 C ATOM 1872 CD GLU A 123 -7.591 3.438 -2.423 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -6.703 2.914 -3.126 1.00 12.45 O ATOM 1874 OE2 GLU A 123 -8.766 3.017 -2.393 1.00 12.67 O ATOM 0 H GLU A 123 -5.063 5.437 -1.043 1.00 11.02 H new ATOM 0 HA GLU A 123 -5.667 5.867 -3.834 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.517 6.728 -1.649 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -7.869 5.876 -3.140 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -6.255 4.427 -1.080 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -7.951 4.695 -0.733 1.00 11.97 H new ATOM 1881 N ARG A 124 -4.906 8.346 -1.939 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.758 9.791 -1.835 1.00 12.58 C ATOM 1883 C ARG A 124 -3.390 10.227 -2.336 1.00 12.40 C ATOM 1884 O ARG A 124 -2.375 9.642 -1.966 1.00 12.05 O ATOM 1885 CB ARG A 124 -4.934 10.238 -0.383 1.00 13.34 C ATOM 1886 CG ARG A 124 -5.811 9.310 0.443 1.00 13.64 C ATOM 1887 CD ARG A 124 -6.206 9.945 1.765 1.00 14.19 C ATOM 1888 NE ARG A 124 -5.174 9.776 2.785 1.00 14.36 N ATOM 1889 CZ ARG A 124 -4.431 10.769 3.272 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -4.581 12.005 2.806 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -3.528 10.521 4.212 1.00 15.04 N ATOM 0 H ARG A 124 -4.416 7.819 -1.216 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.527 10.256 -2.452 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -3.953 10.309 0.087 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -5.367 11.238 -0.371 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -6.708 9.057 -0.122 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -5.279 8.377 0.631 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -6.396 11.008 1.614 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -7.138 9.502 2.116 1.00 14.19 H new ATOM 0 HE ARG A 124 -5.012 8.837 3.148 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -5.266 12.195 2.074 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -4.011 12.764 3.180 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -3.403 9.571 4.561 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -2.959 11.281 4.585 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.359 11.263 -3.164 1.00 12.78 N ATOM 1906 CA ARG A 125 -2.103 11.765 -3.708 1.00 12.90 C ATOM 1907 C ARG A 125 -1.293 12.502 -2.645 1.00 13.56 C ATOM 1908 O ARG A 125 -0.065 12.423 -2.632 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.359 12.687 -4.906 1.00 13.36 C ATOM 1910 CG ARG A 125 -3.736 13.329 -4.911 1.00 13.29 C ATOM 1911 CD ARG A 125 -3.695 14.740 -5.467 1.00 13.69 C ATOM 1912 NE ARG A 125 -3.956 14.768 -6.904 1.00 14.28 N ATOM 1913 CZ ARG A 125 -3.049 15.109 -7.820 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -1.816 15.436 -7.453 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -3.375 15.110 -9.106 1.00 15.26 N ATOM 0 H ARG A 125 -4.187 11.772 -3.473 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.524 10.904 -4.043 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -1.604 13.473 -4.914 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -2.233 12.114 -5.825 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -4.418 12.723 -5.507 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -4.132 13.349 -3.896 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -4.433 15.355 -4.952 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -2.718 15.181 -5.267 1.00 13.69 H new ATOM 0 HE ARG A 125 -4.889 14.511 -7.226 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -1.558 15.427 -6.466 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -1.126 15.696 -8.158 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -4.319 14.850 -9.393 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -2.682 15.371 -9.808 1.00 15.26 H new ATOM 1929 N ALA A 126 -1.978 13.210 -1.747 1.00 14.24 N ATOM 1930 CA ALA A 126 -1.301 13.927 -0.663 1.00 15.01 C ATOM 1931 C ALA A 126 -0.534 12.957 0.230 1.00 14.54 C ATOM 1932 O ALA A 126 0.520 13.294 0.770 1.00 14.95 O ATOM 1933 CB ALA A 126 -2.301 14.726 0.159 1.00 15.90 C ATOM 0 H ALA A 126 -2.994 13.303 -1.747 1.00 14.24 H new ATOM 0 HA ALA A 126 -0.588 14.621 -1.109 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -1.778 15.251 0.958 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -2.803 15.450 -0.483 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -3.039 14.050 0.591 1.00 15.90 H new ATOM 1939 N ASP A 127 -1.083 11.756 0.373 1.00 13.75 N ATOM 1940 CA ASP A 127 -0.424 10.679 1.111 1.00 13.28 C ATOM 1941 C ASP A 127 0.964 10.419 0.534 1.00 12.77 C ATOM 1942 O ASP A 127 1.948 10.269 1.267 1.00 12.74 O ATOM 1943 CB ASP A 127 -1.263 9.399 1.049 1.00 12.65 C ATOM 1944 CG ASP A 127 -1.282 8.645 2.365 1.00 13.12 C ATOM 1945 OD1 ASP A 127 -0.233 8.596 3.042 1.00 13.24 O ATOM 1946 OD2 ASP A 127 -2.337 8.091 2.727 1.00 13.51 O ATOM 0 H ASP A 127 -1.991 11.500 -0.015 1.00 13.75 H new ATOM 0 HA ASP A 127 -0.324 10.983 2.153 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -2.285 9.653 0.766 1.00 12.65 H new ATOM 0 HB3 ASP A 127 -0.868 8.749 0.268 1.00 12.65 H new ATOM 1951 N ALA A 128 1.053 10.443 -0.789 1.00 12.51 N ATOM 1952 CA ALA A 128 2.306 10.166 -1.469 1.00 12.26 C ATOM 1953 C ALA A 128 3.170 11.415 -1.496 1.00 13.19 C ATOM 1954 O ALA A 128 4.389 11.336 -1.421 1.00 13.28 O ATOM 1955 CB ALA A 128 2.055 9.671 -2.883 1.00 11.90 C ATOM 0 H ALA A 128 0.271 10.652 -1.410 1.00 12.51 H new ATOM 0 HA ALA A 128 2.830 9.382 -0.921 1.00 12.26 H new ATOM 0 HB1 ALA A 128 3.008 9.470 -3.373 1.00 11.90 H new ATOM 0 HB2 ALA A 128 1.465 8.755 -2.849 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.512 10.432 -3.444 1.00 11.90 H new ATOM 1961 N LEU A 129 2.521 12.566 -1.596 1.00 13.95 N ATOM 1962 CA LEU A 129 3.218 13.842 -1.599 1.00 15.01 C ATOM 1963 C LEU A 129 3.975 14.040 -0.291 1.00 15.35 C ATOM 1964 O LEU A 129 5.165 14.353 -0.294 1.00 15.80 O ATOM 1965 CB LEU A 129 2.225 14.985 -1.810 1.00 15.79 C ATOM 1966 CG LEU A 129 2.856 16.365 -1.982 1.00 17.00 C ATOM 1967 CD1 LEU A 129 2.360 17.018 -3.261 1.00 17.52 C ATOM 1968 CD2 LEU A 129 2.551 17.241 -0.777 1.00 17.74 C ATOM 0 H LEU A 129 1.507 12.641 -1.677 1.00 13.95 H new ATOM 0 HA LEU A 129 3.936 13.842 -2.419 1.00 15.01 H new ATOM 0 HB2 LEU A 129 1.623 14.765 -2.692 1.00 15.79 H new ATOM 0 HB3 LEU A 129 1.545 15.017 -0.959 1.00 15.79 H new ATOM 0 HG LEU A 129 3.937 16.247 -2.055 1.00 17.00 H new ATOM 0 HD11 LEU A 129 2.819 18.001 -3.369 1.00 17.52 H new ATOM 0 HD12 LEU A 129 2.629 16.396 -4.115 1.00 17.52 H new ATOM 0 HD13 LEU A 129 1.276 17.126 -3.218 1.00 17.52 H new ATOM 0 HD21 LEU A 129 3.008 18.221 -0.915 1.00 17.74 H new ATOM 0 HD22 LEU A 129 1.472 17.355 -0.674 1.00 17.74 H new ATOM 0 HD23 LEU A 129 2.955 16.776 0.122 1.00 17.74 H new ATOM 1980 N LYS A 130 3.285 13.838 0.824 1.00 15.21 N ATOM 1981 CA LYS A 130 3.900 13.973 2.137 1.00 15.60 C ATOM 1982 C LYS A 130 4.974 12.902 2.325 1.00 14.90 C ATOM 1983 O LYS A 130 6.027 13.153 2.913 1.00 15.34 O ATOM 1984 CB LYS A 130 2.830 13.871 3.232 1.00 15.68 C ATOM 1985 CG LYS A 130 3.304 13.192 4.507 1.00 15.55 C ATOM 1986 CD LYS A 130 2.413 12.015 4.871 1.00 15.23 C ATOM 1987 CE LYS A 130 2.094 11.999 6.356 1.00 15.09 C ATOM 1988 NZ LYS A 130 0.632 12.082 6.612 1.00 15.23 N ATOM 0 H LYS A 130 2.298 13.580 0.845 1.00 15.21 H new ATOM 0 HA LYS A 130 4.374 14.952 2.211 1.00 15.60 H new ATOM 0 HB2 LYS A 130 2.480 14.874 3.477 1.00 15.68 H new ATOM 0 HB3 LYS A 130 1.975 13.322 2.838 1.00 15.68 H new ATOM 0 HG2 LYS A 130 4.330 12.848 4.378 1.00 15.55 H new ATOM 0 HG3 LYS A 130 3.310 13.913 5.325 1.00 15.55 H new ATOM 0 HD2 LYS A 130 1.487 12.068 4.299 1.00 15.23 H new ATOM 0 HD3 LYS A 130 2.907 11.084 4.593 1.00 15.23 H new ATOM 0 HE2 LYS A 130 2.489 11.086 6.802 1.00 15.09 H new ATOM 0 HE3 LYS A 130 2.596 12.835 6.844 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 0.458 12.068 7.637 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 0.259 12.965 6.209 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 0.155 11.271 6.169 1.00 15.23 H new ATOM 2002 N ALA A 131 4.707 11.718 1.792 1.00 13.87 N ATOM 2003 CA ALA A 131 5.652 10.617 1.882 1.00 13.19 C ATOM 2004 C ALA A 131 6.883 10.885 1.021 1.00 13.49 C ATOM 2005 O ALA A 131 7.989 10.496 1.370 1.00 13.49 O ATOM 2006 CB ALA A 131 4.994 9.309 1.483 1.00 12.14 C ATOM 0 H ALA A 131 3.845 11.497 1.294 1.00 13.87 H new ATOM 0 HA ALA A 131 5.975 10.534 2.920 1.00 13.19 H new ATOM 0 HB1 ALA A 131 5.720 8.499 1.558 1.00 12.14 H new ATOM 0 HB2 ALA A 131 4.154 9.107 2.148 1.00 12.14 H new ATOM 0 HB3 ALA A 131 4.635 9.381 0.456 1.00 12.14 H new ATOM 2012 N MET A 132 6.700 11.569 -0.095 1.00 13.87 N ATOM 2013 CA MET A 132 7.812 11.901 -0.971 1.00 14.40 C ATOM 2014 C MET A 132 8.594 13.077 -0.401 1.00 15.49 C ATOM 2015 O MET A 132 9.785 13.232 -0.660 1.00 16.00 O ATOM 2016 CB MET A 132 7.309 12.201 -2.392 1.00 14.59 C ATOM 2017 CG MET A 132 7.350 13.671 -2.785 1.00 15.65 C ATOM 2018 SD MET A 132 6.617 13.973 -4.405 1.00 16.00 S ATOM 2019 CE MET A 132 7.751 13.073 -5.462 1.00 15.55 C ATOM 0 H MET A 132 5.792 11.906 -0.417 1.00 13.87 H new ATOM 0 HA MET A 132 8.483 11.044 -1.032 1.00 14.40 H new ATOM 0 HB2 MET A 132 7.909 11.632 -3.103 1.00 14.59 H new ATOM 0 HB3 MET A 132 6.283 11.843 -2.483 1.00 14.59 H new ATOM 0 HG2 MET A 132 6.821 14.259 -2.035 1.00 15.65 H new ATOM 0 HG3 MET A 132 8.385 14.014 -2.788 1.00 15.65 H new ATOM 0 HE1 MET A 132 7.611 13.387 -6.496 1.00 15.55 H new ATOM 0 HE2 MET A 132 8.776 13.280 -5.155 1.00 15.55 H new ATOM 0 HE3 MET A 132 7.556 12.004 -5.378 1.00 15.55 H new ATOM 2029 N LYS A 133 7.919 13.896 0.388 1.00 15.95 N ATOM 2030 CA LYS A 133 8.562 15.023 1.033 1.00 17.04 C ATOM 2031 C LYS A 133 9.353 14.564 2.251 1.00 16.95 C ATOM 2032 O LYS A 133 10.533 14.888 2.393 1.00 17.55 O ATOM 2033 CB LYS A 133 7.523 16.068 1.443 1.00 17.76 C ATOM 2034 CG LYS A 133 7.535 17.311 0.568 1.00 18.70 C ATOM 2035 CD LYS A 133 7.112 16.992 -0.858 1.00 18.27 C ATOM 2036 CE LYS A 133 7.241 18.209 -1.761 1.00 18.99 C ATOM 2037 NZ LYS A 133 8.275 18.020 -2.814 1.00 19.60 N ATOM 0 H LYS A 133 6.925 13.799 0.596 1.00 15.95 H new ATOM 0 HA LYS A 133 9.252 15.476 0.321 1.00 17.04 H new ATOM 0 HB2 LYS A 133 6.531 15.617 1.406 1.00 17.76 H new ATOM 0 HB3 LYS A 133 7.702 16.360 2.478 1.00 17.76 H new ATOM 0 HG2 LYS A 133 6.864 18.060 0.989 1.00 18.70 H new ATOM 0 HG3 LYS A 133 8.535 17.745 0.564 1.00 18.70 H new ATOM 0 HD2 LYS A 133 7.726 16.181 -1.248 1.00 18.27 H new ATOM 0 HD3 LYS A 133 6.080 16.641 -0.863 1.00 18.27 H new ATOM 0 HE2 LYS A 133 6.279 18.414 -2.231 1.00 18.99 H new ATOM 0 HE3 LYS A 133 7.494 19.081 -1.158 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 8.328 18.874 -3.405 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 9.199 17.850 -2.367 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 8.022 17.204 -3.407 1.00 19.60 H new ATOM 2051 N GLN A 134 8.707 13.799 3.119 1.00 16.27 N ATOM 2052 CA GLN A 134 9.335 13.379 4.366 1.00 16.27 C ATOM 2053 C GLN A 134 10.106 12.076 4.211 1.00 15.45 C ATOM 2054 O GLN A 134 11.297 12.019 4.523 1.00 15.79 O ATOM 2055 CB GLN A 134 8.293 13.251 5.477 1.00 16.14 C ATOM 2056 CG GLN A 134 8.334 14.406 6.466 1.00 17.25 C ATOM 2057 CD GLN A 134 8.668 15.727 5.799 1.00 18.04 C ATOM 2058 OE1 GLN A 134 9.828 16.141 5.750 1.00 18.75 O ATOM 2059 NE2 GLN A 134 7.654 16.392 5.274 1.00 18.01 N ATOM 0 H GLN A 134 7.755 13.458 2.986 1.00 16.27 H new ATOM 0 HA GLN A 134 10.053 14.152 4.639 1.00 16.27 H new ATOM 0 HB2 GLN A 134 7.300 13.196 5.031 1.00 16.14 H new ATOM 0 HB3 GLN A 134 8.454 12.315 6.013 1.00 16.14 H new ATOM 0 HG2 GLN A 134 7.368 14.488 6.965 1.00 17.25 H new ATOM 0 HG3 GLN A 134 9.074 14.194 7.237 1.00 17.25 H new ATOM 0 HE21 GLN A 134 6.709 16.014 5.337 1.00 18.01 H new ATOM 0 HE22 GLN A 134 7.816 17.284 4.806 1.00 18.01 H new ATOM 2068 N TYR A 135 9.443 11.031 3.730 1.00 14.42 N ATOM 2069 CA TYR A 135 10.092 9.735 3.596 1.00 13.63 C ATOM 2070 C TYR A 135 11.158 9.780 2.506 1.00 13.70 C ATOM 2071 O TYR A 135 12.340 9.602 2.787 1.00 13.69 O ATOM 2072 CB TYR A 135 9.071 8.634 3.293 1.00 12.62 C ATOM 2073 CG TYR A 135 9.380 7.305 3.946 1.00 12.47 C ATOM 2074 CD1 TYR A 135 10.492 7.143 4.763 1.00 12.60 C ATOM 2075 CD2 TYR A 135 8.550 6.210 3.749 1.00 12.42 C ATOM 2076 CE1 TYR A 135 10.768 5.931 5.364 1.00 12.68 C ATOM 2077 CE2 TYR A 135 8.817 4.993 4.346 1.00 12.52 C ATOM 2078 CZ TYR A 135 9.927 4.860 5.152 1.00 12.67 C ATOM 2079 OH TYR A 135 10.197 3.650 5.749 1.00 12.97 O ATOM 0 H TYR A 135 8.468 11.055 3.430 1.00 14.42 H new ATOM 0 HA TYR A 135 10.571 9.502 4.547 1.00 13.63 H new ATOM 0 HB2 TYR A 135 8.086 8.967 3.621 1.00 12.62 H new ATOM 0 HB3 TYR A 135 9.016 8.492 2.214 1.00 12.62 H new ATOM 0 HD1 TYR A 135 11.153 7.981 4.931 1.00 12.60 H new ATOM 0 HD2 TYR A 135 7.680 6.311 3.118 1.00 12.42 H new ATOM 0 HE1 TYR A 135 11.637 5.823 5.996 1.00 12.68 H new ATOM 0 HE2 TYR A 135 8.160 4.151 4.182 1.00 12.52 H new ATOM 0 HH TYR A 135 10.663 3.801 6.598 1.00 12.97 H new ATOM 2089 N LYS A 136 10.741 10.039 1.270 1.00 13.88 N ATOM 2090 CA LYS A 136 11.671 10.051 0.147 1.00 14.15 C ATOM 2091 C LYS A 136 12.831 10.999 0.414 1.00 15.09 C ATOM 2092 O LYS A 136 12.642 12.212 0.531 1.00 15.85 O ATOM 2093 CB LYS A 136 10.958 10.448 -1.148 1.00 14.36 C ATOM 2094 CG LYS A 136 11.881 10.501 -2.354 1.00 14.69 C ATOM 2095 CD LYS A 136 11.958 11.901 -2.947 1.00 15.46 C ATOM 2096 CE LYS A 136 13.041 12.001 -4.011 1.00 15.93 C ATOM 2097 NZ LYS A 136 14.395 11.728 -3.459 1.00 16.56 N ATOM 0 H LYS A 136 9.773 10.242 1.022 1.00 13.88 H new ATOM 0 HA LYS A 136 12.065 9.041 0.032 1.00 14.15 H new ATOM 0 HB2 LYS A 136 10.156 9.737 -1.345 1.00 14.36 H new ATOM 0 HB3 LYS A 136 10.492 11.424 -1.013 1.00 14.36 H new ATOM 0 HG2 LYS A 136 12.879 10.175 -2.062 1.00 14.69 H new ATOM 0 HG3 LYS A 136 11.527 9.804 -3.113 1.00 14.69 H new ATOM 0 HD2 LYS A 136 10.994 12.166 -3.382 1.00 15.46 H new ATOM 0 HD3 LYS A 136 12.159 12.622 -2.154 1.00 15.46 H new ATOM 0 HE2 LYS A 136 12.827 11.294 -4.812 1.00 15.93 H new ATOM 0 HE3 LYS A 136 13.024 12.998 -4.452 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 15.117 12.095 -4.112 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 14.494 12.196 -2.536 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 14.522 10.702 -3.343 1.00 16.56 H new ATOM 2111 N GLY A 137 14.026 10.437 0.527 1.00 15.10 N ATOM 2112 CA GLY A 137 15.198 11.237 0.786 1.00 15.97 C ATOM 2113 C GLY A 137 16.106 10.606 1.820 1.00 15.85 C ATOM 2114 O GLY A 137 17.290 10.914 1.848 1.00 16.53 O ATOM 0 H GLY A 137 14.202 9.436 0.443 1.00 15.10 H new ATOM 0 HA2 GLY A 137 15.751 11.379 -0.142 1.00 15.97 H new ATOM 0 HA3 GLY A 137 14.892 12.226 1.129 1.00 15.97 H new ATOM 2118 N VAL A 138 15.533 9.718 2.654 1.00 15.06 N ATOM 2119 CA VAL A 138 16.254 9.049 3.761 1.00 15.00 C ATOM 2120 C VAL A 138 17.673 8.643 3.405 1.00 14.61 C ATOM 2121 O VAL A 138 17.893 7.641 2.723 1.00 13.92 O ATOM 2122 CB VAL A 138 15.527 7.776 4.245 1.00 14.53 C ATOM 2123 CG1 VAL A 138 16.204 7.204 5.485 1.00 14.37 C ATOM 2124 CG2 VAL A 138 14.071 8.060 4.527 1.00 14.92 C ATOM 0 H VAL A 138 14.554 9.441 2.581 1.00 15.06 H new ATOM 0 HA VAL A 138 16.281 9.803 4.548 1.00 15.00 H new ATOM 0 HB VAL A 138 15.584 7.036 3.447 1.00 14.53 H new ATOM 0 HG11 VAL A 138 15.674 6.308 5.808 1.00 14.37 H new ATOM 0 HG12 VAL A 138 17.238 6.950 5.251 1.00 14.37 H new ATOM 0 HG13 VAL A 138 16.185 7.945 6.284 1.00 14.37 H new ATOM 0 HG21 VAL A 138 13.581 7.147 4.866 1.00 14.92 H new ATOM 0 HG22 VAL A 138 13.992 8.823 5.301 1.00 14.92 H new ATOM 0 HG23 VAL A 138 13.587 8.415 3.617 1.00 14.92 H new ATOM 2134 N PRO A 139 18.649 9.417 3.884 1.00 15.15 N ATOM 2135 CA PRO A 139 20.033 9.035 3.868 1.00 14.91 C ATOM 2136 C PRO A 139 20.404 8.408 5.200 1.00 14.45 C ATOM 2137 O PRO A 139 19.966 8.875 6.258 1.00 14.71 O ATOM 2138 CB PRO A 139 20.756 10.370 3.667 1.00 15.76 C ATOM 2139 CG PRO A 139 19.795 11.434 4.122 1.00 16.48 C ATOM 2140 CD PRO A 139 18.490 10.753 4.468 1.00 16.12 C ATOM 0 HA PRO A 139 20.283 8.301 3.102 1.00 14.91 H new ATOM 0 HB2 PRO A 139 21.679 10.405 4.245 1.00 15.76 H new ATOM 0 HB3 PRO A 139 21.029 10.512 2.621 1.00 15.76 H new ATOM 0 HG2 PRO A 139 20.192 11.964 4.988 1.00 16.48 H new ATOM 0 HG3 PRO A 139 19.644 12.175 3.337 1.00 16.48 H new ATOM 0 HD2 PRO A 139 18.333 10.706 5.546 1.00 16.12 H new ATOM 0 HD3 PRO A 139 17.635 11.280 4.044 1.00 16.12 H new ATOM 2148 N LEU A 140 21.191 7.360 5.171 1.00 13.94 N ATOM 2149 CA LEU A 140 21.600 6.737 6.404 1.00 13.62 C ATOM 2150 C LEU A 140 23.000 6.159 6.265 1.00 13.69 C ATOM 2151 O LEU A 140 23.167 4.967 6.012 1.00 13.37 O ATOM 2152 CB LEU A 140 20.614 5.630 6.792 1.00 12.88 C ATOM 2153 CG LEU A 140 20.384 5.459 8.296 1.00 12.84 C ATOM 2154 CD1 LEU A 140 18.898 5.360 8.595 1.00 13.08 C ATOM 2155 CD2 LEU A 140 21.116 4.229 8.810 1.00 12.35 C ATOM 0 H LEU A 140 21.555 6.927 4.322 1.00 13.94 H new ATOM 0 HA LEU A 140 21.608 7.494 7.188 1.00 13.62 H new ATOM 0 HB2 LEU A 140 19.656 5.836 6.315 1.00 12.88 H new ATOM 0 HB3 LEU A 140 20.975 4.685 6.386 1.00 12.88 H new ATOM 0 HG LEU A 140 20.782 6.334 8.810 1.00 12.84 H new ATOM 0 HD11 LEU A 140 18.750 5.239 9.668 1.00 13.08 H new ATOM 0 HD12 LEU A 140 18.398 6.269 8.260 1.00 13.08 H new ATOM 0 HD13 LEU A 140 18.478 4.501 8.071 1.00 13.08 H new ATOM 0 HD21 LEU A 140 20.942 4.123 9.881 1.00 12.35 H new ATOM 0 HD22 LEU A 140 20.747 3.343 8.293 1.00 12.35 H new ATOM 0 HD23 LEU A 140 22.185 4.338 8.626 1.00 12.35 H new ATOM 2167 N ASP A 141 23.987 7.032 6.446 1.00 14.24 N ATOM 2168 CA ASP A 141 25.395 6.645 6.552 1.00 14.50 C ATOM 2169 C ASP A 141 25.830 5.758 5.382 1.00 14.65 C ATOM 2170 O ASP A 141 25.708 4.539 5.438 1.00 14.60 O ATOM 2171 CB ASP A 141 25.648 5.919 7.876 1.00 14.25 C ATOM 2172 CG ASP A 141 27.075 6.077 8.360 1.00 14.67 C ATOM 2173 OD1 ASP A 141 27.969 6.336 7.528 1.00 15.08 O ATOM 2174 OD2 ASP A 141 27.309 5.949 9.579 1.00 14.68 O ATOM 0 H ASP A 141 23.833 8.037 6.524 1.00 14.24 H new ATOM 0 HA ASP A 141 25.988 7.559 6.519 1.00 14.50 H new ATOM 0 HB2 ASP A 141 24.966 6.304 8.634 1.00 14.25 H new ATOM 0 HB3 ASP A 141 25.424 4.859 7.754 1.00 14.25 H new ATOM 2179 N GLY A 142 26.298 6.366 4.302 1.00 14.99 N ATOM 2180 CA GLY A 142 26.799 5.585 3.175 1.00 15.30 C ATOM 2181 C GLY A 142 25.691 4.853 2.437 1.00 15.13 C ATOM 2182 O GLY A 142 25.937 4.146 1.460 1.00 15.53 O ATOM 0 H GLY A 142 26.343 7.378 4.180 1.00 14.99 H new ATOM 0 HA2 GLY A 142 27.318 6.246 2.481 1.00 15.30 H new ATOM 0 HA3 GLY A 142 27.531 4.862 3.535 1.00 15.30 H new ATOM 2186 N ARG A 143 24.474 5.032 2.917 1.00 14.64 N ATOM 2187 CA ARG A 143 23.317 4.441 2.255 1.00 14.58 C ATOM 2188 C ARG A 143 22.047 5.254 2.457 1.00 14.18 C ATOM 2189 O ARG A 143 21.422 5.184 3.512 1.00 13.64 O ATOM 2190 CB ARG A 143 23.091 3.006 2.744 1.00 14.55 C ATOM 2191 CG ARG A 143 21.949 2.295 2.032 1.00 14.62 C ATOM 2192 CD ARG A 143 21.970 0.799 2.290 1.00 15.01 C ATOM 2193 NE ARG A 143 22.434 0.050 1.124 1.00 15.55 N ATOM 2194 CZ ARG A 143 23.518 -0.724 1.114 1.00 16.06 C ATOM 2195 NH1 ARG A 143 24.224 -0.912 2.224 1.00 16.09 N ATOM 2196 NH2 ARG A 143 23.875 -1.335 -0.006 1.00 16.66 N ATOM 0 H ARG A 143 24.258 5.575 3.753 1.00 14.64 H new ATOM 0 HA ARG A 143 23.539 4.437 1.188 1.00 14.58 H new ATOM 0 HB2 ARG A 143 24.008 2.434 2.604 1.00 14.55 H new ATOM 0 HB3 ARG A 143 22.887 3.023 3.815 1.00 14.55 H new ATOM 0 HG2 ARG A 143 20.998 2.709 2.367 1.00 14.62 H new ATOM 0 HG3 ARG A 143 22.017 2.480 0.960 1.00 14.62 H new ATOM 0 HD2 ARG A 143 22.619 0.586 3.139 1.00 15.01 H new ATOM 0 HD3 ARG A 143 20.969 0.464 2.562 1.00 15.01 H new ATOM 0 HE ARG A 143 21.893 0.125 0.263 1.00 15.55 H new ATOM 0 HH11 ARG A 143 23.937 -0.462 3.093 1.00 16.09 H new ATOM 0 HH12 ARG A 143 25.053 -1.506 2.207 1.00 16.09 H new ATOM 0 HH21 ARG A 143 23.321 -1.211 -0.853 1.00 16.66 H new ATOM 0 HH22 ARG A 143 24.704 -1.929 -0.021 1.00 16.66 H new ATOM 2210 N PRO A 144 21.636 6.030 1.448 1.00 14.56 N ATOM 2211 CA PRO A 144 20.276 6.525 1.352 1.00 14.25 C ATOM 2212 C PRO A 144 19.384 5.502 0.655 1.00 13.50 C ATOM 2213 O PRO A 144 19.728 5.015 -0.427 1.00 13.51 O ATOM 2214 CB PRO A 144 20.423 7.792 0.520 1.00 15.09 C ATOM 2215 CG PRO A 144 21.584 7.517 -0.381 1.00 15.66 C ATOM 2216 CD PRO A 144 22.472 6.519 0.334 1.00 15.41 C ATOM 0 HA PRO A 144 19.811 6.711 2.320 1.00 14.25 H new ATOM 0 HB2 PRO A 144 19.518 7.999 -0.051 1.00 15.09 H new ATOM 0 HB3 PRO A 144 20.608 8.662 1.151 1.00 15.09 H new ATOM 0 HG2 PRO A 144 21.245 7.116 -1.336 1.00 15.66 H new ATOM 0 HG3 PRO A 144 22.131 8.435 -0.597 1.00 15.66 H new ATOM 0 HD2 PRO A 144 22.771 5.706 -0.327 1.00 15.41 H new ATOM 0 HD3 PRO A 144 23.387 6.987 0.697 1.00 15.41 H new ATOM 2224 N MET A 145 18.263 5.144 1.255 1.00 12.97 N ATOM 2225 CA MET A 145 17.363 4.197 0.613 1.00 12.29 C ATOM 2226 C MET A 145 16.698 4.823 -0.611 1.00 12.48 C ATOM 2227 O MET A 145 16.743 6.035 -0.807 1.00 13.04 O ATOM 2228 CB MET A 145 16.315 3.666 1.604 1.00 11.64 C ATOM 2229 CG MET A 145 14.971 4.377 1.559 1.00 11.69 C ATOM 2230 SD MET A 145 13.588 3.227 1.427 1.00 11.33 S ATOM 2231 CE MET A 145 12.823 3.429 3.034 1.00 11.40 C ATOM 0 H MET A 145 17.956 5.485 2.166 1.00 12.97 H new ATOM 0 HA MET A 145 17.956 3.347 0.275 1.00 12.29 H new ATOM 0 HB2 MET A 145 16.155 2.606 1.408 1.00 11.64 H new ATOM 0 HB3 MET A 145 16.718 3.746 2.614 1.00 11.64 H new ATOM 0 HG2 MET A 145 14.853 4.981 2.458 1.00 11.69 H new ATOM 0 HG3 MET A 145 14.953 5.061 0.711 1.00 11.69 H new ATOM 0 HE1 MET A 145 11.892 2.863 3.068 1.00 11.40 H new ATOM 0 HE2 MET A 145 13.499 3.063 3.807 1.00 11.40 H new ATOM 0 HE3 MET A 145 12.612 4.484 3.206 1.00 11.40 H new ATOM 2241 N ASP A 146 16.080 3.986 -1.418 1.00 12.13 N ATOM 2242 CA ASP A 146 15.482 4.437 -2.669 1.00 12.38 C ATOM 2243 C ASP A 146 13.980 4.567 -2.532 1.00 11.73 C ATOM 2244 O ASP A 146 13.280 3.591 -2.296 1.00 11.11 O ATOM 2245 CB ASP A 146 15.805 3.481 -3.811 1.00 12.64 C ATOM 2246 CG ASP A 146 15.651 4.148 -5.162 1.00 13.31 C ATOM 2247 OD1 ASP A 146 16.620 4.779 -5.632 1.00 13.51 O ATOM 2248 OD2 ASP A 146 14.557 4.056 -5.756 1.00 13.71 O ATOM 0 H ASP A 146 15.976 2.988 -1.235 1.00 12.13 H new ATOM 0 HA ASP A 146 15.907 5.414 -2.898 1.00 12.38 H new ATOM 0 HB2 ASP A 146 16.826 3.114 -3.701 1.00 12.64 H new ATOM 0 HB3 ASP A 146 15.147 2.614 -3.756 1.00 12.64 H new ATOM 2253 N ILE A 147 13.493 5.788 -2.661 1.00 11.99 N ATOM 2254 CA ILE A 147 12.075 6.059 -2.525 1.00 11.55 C ATOM 2255 C ILE A 147 11.587 6.930 -3.670 1.00 12.03 C ATOM 2256 O ILE A 147 12.204 7.945 -3.991 1.00 12.66 O ATOM 2257 CB ILE A 147 11.763 6.769 -1.188 1.00 11.54 C ATOM 2258 CG1 ILE A 147 13.045 6.950 -0.358 1.00 12.01 C ATOM 2259 CG2 ILE A 147 10.718 5.987 -0.411 1.00 10.85 C ATOM 2260 CD1 ILE A 147 12.825 6.965 1.140 1.00 11.93 C ATOM 0 H ILE A 147 14.062 6.610 -2.861 1.00 11.99 H new ATOM 0 HA ILE A 147 11.559 5.099 -2.545 1.00 11.55 H new ATOM 0 HB ILE A 147 11.361 7.759 -1.403 1.00 11.54 H new ATOM 0 HG12 ILE A 147 13.738 6.145 -0.603 1.00 12.01 H new ATOM 0 HG13 ILE A 147 13.524 7.884 -0.652 1.00 12.01 H new ATOM 0 HG21 ILE A 147 10.506 6.497 0.529 1.00 10.85 H new ATOM 0 HG22 ILE A 147 9.803 5.917 -1.000 1.00 10.85 H new ATOM 0 HG23 ILE A 147 11.093 4.985 -0.204 1.00 10.85 H new ATOM 0 HD11 ILE A 147 13.781 7.097 1.647 1.00 11.93 H new ATOM 0 HD12 ILE A 147 12.159 7.787 1.402 1.00 11.93 H new ATOM 0 HD13 ILE A 147 12.376 6.022 1.451 1.00 11.93 H new ATOM 2272 N GLN A 148 10.509 6.515 -4.315 1.00 11.86 N ATOM 2273 CA GLN A 148 9.867 7.332 -5.330 1.00 12.36 C ATOM 2274 C GLN A 148 8.362 7.225 -5.186 1.00 11.92 C ATOM 2275 O GLN A 148 7.823 6.127 -5.093 1.00 11.28 O ATOM 2276 CB GLN A 148 10.295 6.894 -6.731 1.00 12.71 C ATOM 2277 CG GLN A 148 10.805 8.036 -7.595 1.00 13.36 C ATOM 2278 CD GLN A 148 9.718 9.033 -7.948 1.00 13.82 C ATOM 2279 OE1 GLN A 148 9.470 9.988 -7.212 1.00 14.37 O ATOM 2280 NE2 GLN A 148 9.065 8.818 -9.080 1.00 13.78 N ATOM 0 H GLN A 148 10.059 5.614 -4.152 1.00 11.86 H new ATOM 0 HA GLN A 148 10.173 8.369 -5.192 1.00 12.36 H new ATOM 0 HB2 GLN A 148 11.076 6.138 -6.644 1.00 12.71 H new ATOM 0 HB3 GLN A 148 9.449 6.422 -7.230 1.00 12.71 H new ATOM 0 HG2 GLN A 148 11.609 8.552 -7.070 1.00 13.36 H new ATOM 0 HG3 GLN A 148 11.232 7.630 -8.512 1.00 13.36 H new ATOM 0 HE21 GLN A 148 9.302 8.014 -9.661 1.00 13.78 H new ATOM 0 HE22 GLN A 148 8.325 9.457 -9.371 1.00 13.78 H new ATOM 2289 N LEU A 149 7.686 8.358 -5.149 1.00 12.38 N ATOM 2290 CA LEU A 149 6.249 8.364 -4.975 1.00 12.11 C ATOM 2291 C LEU A 149 5.580 9.110 -6.112 1.00 12.57 C ATOM 2292 O LEU A 149 5.882 10.273 -6.377 1.00 13.35 O ATOM 2293 CB LEU A 149 5.881 8.971 -3.625 1.00 12.48 C ATOM 2294 CG LEU A 149 6.136 8.042 -2.440 1.00 12.21 C ATOM 2295 CD1 LEU A 149 7.288 8.552 -1.592 1.00 11.94 C ATOM 2296 CD2 LEU A 149 4.879 7.882 -1.606 1.00 12.16 C ATOM 0 H LEU A 149 8.109 9.282 -5.237 1.00 12.38 H new ATOM 0 HA LEU A 149 5.889 7.335 -4.992 1.00 12.11 H new ATOM 0 HB2 LEU A 149 6.450 9.890 -3.483 1.00 12.48 H new ATOM 0 HB3 LEU A 149 4.827 9.248 -3.637 1.00 12.48 H new ATOM 0 HG LEU A 149 6.413 7.062 -2.828 1.00 12.21 H new ATOM 0 HD11 LEU A 149 7.451 7.874 -0.754 1.00 11.94 H new ATOM 0 HD12 LEU A 149 8.192 8.603 -2.199 1.00 11.94 H new ATOM 0 HD13 LEU A 149 7.049 9.546 -1.213 1.00 11.94 H new ATOM 0 HD21 LEU A 149 5.081 7.217 -0.767 1.00 12.16 H new ATOM 0 HD22 LEU A 149 4.566 8.856 -1.230 1.00 12.16 H new ATOM 0 HD23 LEU A 149 4.085 7.459 -2.222 1.00 12.16 H new ATOM 2308 N VAL A 150 4.673 8.424 -6.781 1.00 12.18 N ATOM 2309 CA VAL A 150 4.022 8.965 -7.954 1.00 12.66 C ATOM 2310 C VAL A 150 2.617 9.437 -7.614 1.00 12.39 C ATOM 2311 O VAL A 150 1.690 8.634 -7.481 1.00 11.73 O ATOM 2312 CB VAL A 150 3.946 7.909 -9.077 1.00 12.72 C ATOM 2313 CG1 VAL A 150 3.523 8.545 -10.389 1.00 13.21 C ATOM 2314 CG2 VAL A 150 5.279 7.192 -9.233 1.00 12.72 C ATOM 0 H VAL A 150 4.370 7.484 -6.528 1.00 12.18 H new ATOM 0 HA VAL A 150 4.614 9.812 -8.301 1.00 12.66 H new ATOM 0 HB VAL A 150 3.192 7.172 -8.798 1.00 12.72 H new ATOM 0 HG11 VAL A 150 3.477 7.781 -11.165 1.00 13.21 H new ATOM 0 HG12 VAL A 150 2.541 9.003 -10.271 1.00 13.21 H new ATOM 0 HG13 VAL A 150 4.247 9.308 -10.674 1.00 13.21 H new ATOM 0 HG21 VAL A 150 5.203 6.452 -10.030 1.00 12.72 H new ATOM 0 HG22 VAL A 150 6.055 7.916 -9.483 1.00 12.72 H new ATOM 0 HG23 VAL A 150 5.536 6.694 -8.298 1.00 12.72 H new ATOM 2324 N ALA A 151 2.490 10.751 -7.481 1.00 13.01 N ATOM 2325 CA ALA A 151 1.224 11.412 -7.182 1.00 12.96 C ATOM 2326 C ALA A 151 1.440 12.921 -7.168 1.00 13.33 C ATOM 2327 O ALA A 151 0.755 13.663 -6.465 1.00 13.35 O ATOM 2328 CB ALA A 151 0.668 10.946 -5.844 1.00 12.65 C ATOM 0 H ALA A 151 3.273 11.397 -7.579 1.00 13.01 H new ATOM 0 HA ALA A 151 0.498 11.152 -7.952 1.00 12.96 H new ATOM 0 HB1 ALA A 151 -0.276 11.454 -5.645 1.00 12.65 H new ATOM 0 HB2 ALA A 151 0.501 9.869 -5.874 1.00 12.65 H new ATOM 0 HB3 ALA A 151 1.380 11.181 -5.053 1.00 12.65 H new