USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=17 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 Set 1.1: A 80 SER OG : rot 180:sc= -0.518 USER MOD Set 1.2: A 117 THR OG1 : rot -80:sc= -3.16! USER MOD Single : A 8 SER OG : rot 9:sc= 0.803 USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.142) USER MOD Single : A 16 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.59) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.11) 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 81 ASN : amide:sc= -0.0874 K(o=-0.087,f=-4.4!) USER MOD Single : A 87 SER OG : rot 109:sc= 1.42 USER MOD Single : A 92 GLN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 100 THR OG1 : rot 80:sc= 1.32 USER MOD Single : A 102 LYS NZ :NH3+ 159:sc= 1.14 (180deg=0.948) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -89:sc= 1.22 USER MOD Single : A 121 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-2.8!) USER MOD Single : A 130 LYS NZ :NH3+ -131:sc= 2.36 (180deg=-1.37) USER MOD Single : A 132 MET CE :methyl -126:sc= -0.401 (180deg=-1.25) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.0637 X(o=-0.064,f=-0.064) USER MOD Single : A 135 TYR OH : rot -85:sc= 0.19 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -151:sc= -0.404 (180deg=-1.97!) USER MOD Single : A 148 GLN : amide:sc= 1.55 K(o=1.6,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -123.110 -9.483 -39.009 1.00 17.93 N ATOM 109 CA SER A 8 -123.452 -8.146 -38.557 1.00 18.07 C ATOM 110 C SER A 8 -122.199 -7.334 -38.241 1.00 17.91 C ATOM 111 O SER A 8 -121.664 -7.397 -37.134 1.00 17.61 O ATOM 112 CB SER A 8 -124.351 -8.235 -37.325 1.00 18.00 C ATOM 113 OG SER A 8 -124.555 -9.586 -36.944 1.00 17.96 O ATOM 0 HA SER A 8 -123.986 -7.636 -39.359 1.00 18.07 H new ATOM 0 HB2 SER A 8 -123.899 -7.684 -36.500 1.00 18.00 H new ATOM 0 HB3 SER A 8 -125.311 -7.763 -37.535 1.00 18.00 H new ATOM 0 HG SER A 8 -123.965 -10.166 -37.468 1.00 17.96 H new ATOM 119 N LEU A 9 -121.737 -6.573 -39.222 1.00 18.20 N ATOM 120 CA LEU A 9 -120.586 -5.700 -39.035 1.00 18.26 C ATOM 121 C LEU A 9 -120.939 -4.576 -38.067 1.00 18.43 C ATOM 122 O LEU A 9 -120.080 -4.060 -37.353 1.00 18.25 O ATOM 123 CB LEU A 9 -120.129 -5.124 -40.375 1.00 18.77 C ATOM 124 CG LEU A 9 -119.327 -6.087 -41.251 1.00 18.82 C ATOM 125 CD1 LEU A 9 -119.941 -6.183 -42.638 1.00 19.04 C ATOM 126 CD2 LEU A 9 -117.875 -5.644 -41.335 1.00 18.92 C ATOM 0 H LEU A 9 -122.142 -6.542 -40.158 1.00 18.20 H new ATOM 0 HA LEU A 9 -119.767 -6.284 -38.615 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -121.007 -4.796 -40.931 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -119.523 -4.238 -40.185 1.00 18.77 H new ATOM 0 HG LEU A 9 -119.358 -7.077 -40.795 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -119.357 -6.873 -43.247 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -120.965 -6.547 -42.558 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -119.942 -5.198 -43.105 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -117.318 -6.340 -41.962 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -117.824 -4.645 -41.768 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -117.441 -5.629 -40.335 1.00 18.92 H new ATOM 138 N ASP A 10 -122.220 -4.221 -38.044 1.00 18.85 N ATOM 139 CA ASP A 10 -122.739 -3.219 -37.115 1.00 19.17 C ATOM 140 C ASP A 10 -122.512 -3.663 -35.675 1.00 18.74 C ATOM 141 O ASP A 10 -122.158 -2.860 -34.809 1.00 18.78 O ATOM 142 CB ASP A 10 -124.233 -2.999 -37.366 1.00 19.78 C ATOM 143 CG ASP A 10 -124.905 -2.188 -36.276 1.00 19.90 C ATOM 144 OD1 ASP A 10 -124.870 -0.942 -36.349 1.00 20.27 O ATOM 145 OD2 ASP A 10 -125.497 -2.790 -35.357 1.00 19.72 O ATOM 0 H ASP A 10 -122.926 -4.617 -38.665 1.00 18.85 H new ATOM 0 HA ASP A 10 -122.208 -2.281 -37.279 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -124.364 -2.491 -38.322 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -124.728 -3.967 -37.448 1.00 19.78 H new ATOM 150 N ASP A 11 -122.697 -4.957 -35.439 1.00 18.38 N ATOM 151 CA ASP A 11 -122.489 -5.540 -34.118 1.00 18.04 C ATOM 152 C ASP A 11 -121.031 -5.387 -33.705 1.00 17.56 C ATOM 153 O ASP A 11 -120.728 -5.132 -32.538 1.00 17.42 O ATOM 154 CB ASP A 11 -122.876 -7.019 -34.127 1.00 17.93 C ATOM 155 CG ASP A 11 -123.903 -7.369 -33.069 1.00 17.97 C ATOM 156 OD1 ASP A 11 -124.955 -6.700 -33.005 1.00 17.99 O ATOM 157 OD2 ASP A 11 -123.676 -8.335 -32.314 1.00 18.05 O ATOM 0 H ASP A 11 -122.992 -5.626 -36.150 1.00 18.38 H new ATOM 0 HA ASP A 11 -123.119 -5.016 -33.400 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -123.271 -7.280 -35.109 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -121.982 -7.624 -33.972 1.00 17.93 H new ATOM 162 N ILE A 12 -120.135 -5.531 -34.678 1.00 17.40 N ATOM 163 CA ILE A 12 -118.709 -5.340 -34.447 1.00 17.12 C ATOM 164 C ILE A 12 -118.420 -3.887 -34.115 1.00 17.38 C ATOM 165 O ILE A 12 -117.717 -3.594 -33.158 1.00 17.18 O ATOM 166 CB ILE A 12 -117.863 -5.724 -35.674 1.00 17.14 C ATOM 167 CG1 ILE A 12 -118.236 -7.121 -36.175 1.00 16.99 C ATOM 168 CG2 ILE A 12 -116.380 -5.654 -35.331 1.00 17.02 C ATOM 169 CD1 ILE A 12 -117.756 -7.406 -37.582 1.00 17.20 C ATOM 0 H ILE A 12 -120.375 -5.780 -35.638 1.00 17.40 H new ATOM 0 HA ILE A 12 -118.440 -5.991 -33.615 1.00 17.12 H new ATOM 0 HB ILE A 12 -118.070 -5.013 -36.474 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -117.816 -7.865 -35.499 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -119.320 -7.234 -36.139 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -115.791 -5.928 -36.206 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -116.125 -4.640 -35.025 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -116.162 -6.345 -34.516 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -118.055 -8.413 -37.872 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -118.197 -6.685 -38.270 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -116.670 -7.326 -37.619 1.00 17.20 H new ATOM 181 N ILE A 13 -118.956 -2.988 -34.935 1.00 17.90 N ATOM 182 CA ILE A 13 -118.831 -1.547 -34.708 1.00 18.37 C ATOM 183 C ILE A 13 -119.258 -1.186 -33.291 1.00 18.32 C ATOM 184 O ILE A 13 -118.593 -0.407 -32.607 1.00 18.33 O ATOM 185 CB ILE A 13 -119.685 -0.745 -35.712 1.00 19.08 C ATOM 186 CG1 ILE A 13 -119.153 -0.943 -37.132 1.00 19.19 C ATOM 187 CG2 ILE A 13 -119.700 0.737 -35.351 1.00 19.74 C ATOM 188 CD1 ILE A 13 -120.184 -0.678 -38.207 1.00 19.76 C ATOM 0 H ILE A 13 -119.486 -3.233 -35.771 1.00 17.90 H new ATOM 0 HA ILE A 13 -117.782 -1.287 -34.850 1.00 18.37 H new ATOM 0 HB ILE A 13 -120.709 -1.115 -35.665 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -118.300 -0.282 -37.287 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -118.787 -1.965 -37.235 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -120.308 1.281 -36.073 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -120.120 0.864 -34.353 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -118.682 1.126 -35.368 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -119.736 -0.838 -39.188 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -121.027 -1.357 -38.078 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -120.533 0.352 -38.131 1.00 19.76 H new ATOM 200 N LYS A 14 -120.372 -1.756 -32.862 1.00 18.34 N ATOM 201 CA LYS A 14 -120.852 -1.575 -31.500 1.00 18.38 C ATOM 202 C LYS A 14 -119.776 -1.951 -30.486 1.00 17.73 C ATOM 203 O LYS A 14 -119.435 -1.160 -29.601 1.00 17.76 O ATOM 204 CB LYS A 14 -122.097 -2.422 -31.269 1.00 18.59 C ATOM 205 CG LYS A 14 -123.395 -1.668 -31.494 1.00 19.27 C ATOM 206 CD LYS A 14 -123.272 -0.210 -31.080 1.00 19.91 C ATOM 207 CE LYS A 14 -124.629 0.399 -30.775 1.00 20.52 C ATOM 208 NZ LYS A 14 -125.637 0.063 -31.813 1.00 21.03 N ATOM 0 H LYS A 14 -120.965 -2.352 -33.440 1.00 18.34 H new ATOM 0 HA LYS A 14 -121.099 -0.522 -31.364 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -122.068 -3.285 -31.934 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -122.081 -2.805 -30.249 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -123.673 -1.726 -32.546 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -124.196 -2.142 -30.926 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -122.632 -0.133 -30.201 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -122.789 0.356 -31.877 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -124.976 0.044 -29.805 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -124.532 1.482 -30.702 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -126.454 0.701 -31.723 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -125.214 0.174 -32.757 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -125.950 -0.921 -31.687 1.00 21.03 H new ATOM 222 N LEU A 15 -119.234 -3.152 -30.629 1.00 17.23 N ATOM 223 CA LEU A 15 -118.168 -3.615 -29.757 1.00 16.69 C ATOM 224 C LEU A 15 -116.928 -2.747 -29.935 1.00 16.61 C ATOM 225 O LEU A 15 -116.194 -2.502 -28.988 1.00 16.40 O ATOM 226 CB LEU A 15 -117.834 -5.080 -30.048 1.00 16.34 C ATOM 227 CG LEU A 15 -119.004 -6.052 -29.891 1.00 16.28 C ATOM 228 CD1 LEU A 15 -118.671 -7.393 -30.522 1.00 16.26 C ATOM 229 CD2 LEU A 15 -119.357 -6.228 -28.421 1.00 16.28 C ATOM 0 H LEU A 15 -119.517 -3.824 -31.343 1.00 17.23 H new ATOM 0 HA LEU A 15 -118.508 -3.536 -28.724 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -117.453 -5.155 -31.066 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -117.029 -5.393 -29.383 1.00 16.34 H new ATOM 0 HG LEU A 15 -119.869 -5.635 -30.406 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -119.515 -8.072 -30.401 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -118.466 -7.255 -31.584 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -117.792 -7.816 -30.035 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -120.192 -6.923 -28.328 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -118.494 -6.623 -27.884 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -119.638 -5.264 -27.996 1.00 16.28 H new ATOM 241 N ASN A 16 -116.723 -2.270 -31.157 1.00 16.87 N ATOM 242 CA ASN A 16 -115.593 -1.408 -31.482 1.00 17.01 C ATOM 243 C ASN A 16 -115.641 -0.130 -30.657 1.00 17.40 C ATOM 244 O ASN A 16 -114.616 0.350 -30.176 1.00 17.38 O ATOM 245 CB ASN A 16 -115.594 -1.052 -32.969 1.00 17.36 C ATOM 246 CG ASN A 16 -114.618 -1.885 -33.766 1.00 17.34 C ATOM 247 OD1 ASN A 16 -113.685 -1.361 -34.379 1.00 17.60 O ATOM 248 ND2 ASN A 16 -114.831 -3.188 -33.773 1.00 17.15 N ATOM 0 H ASN A 16 -117.334 -2.469 -31.949 1.00 16.87 H new ATOM 0 HA ASN A 16 -114.679 -1.953 -31.247 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -116.598 -1.191 -33.371 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -115.346 0.003 -33.086 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -114.211 -3.803 -34.300 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -115.615 -3.579 -33.251 1.00 17.15 H new ATOM 255 N ARG A 17 -116.846 0.411 -30.508 1.00 17.84 N ATOM 256 CA ARG A 17 -117.068 1.606 -29.702 1.00 18.36 C ATOM 257 C ARG A 17 -116.750 1.325 -28.241 1.00 18.04 C ATOM 258 O ARG A 17 -116.127 2.137 -27.558 1.00 18.25 O ATOM 259 CB ARG A 17 -118.520 2.072 -29.816 1.00 19.06 C ATOM 260 CG ARG A 17 -118.922 2.542 -31.200 1.00 19.37 C ATOM 261 CD ARG A 17 -120.331 2.078 -31.540 1.00 19.91 C ATOM 262 NE ARG A 17 -121.287 3.183 -31.575 1.00 20.74 N ATOM 263 CZ ARG A 17 -122.023 3.577 -30.534 1.00 21.41 C ATOM 264 NH1 ARG A 17 -121.935 2.949 -29.365 1.00 21.38 N ATOM 265 NH2 ARG A 17 -122.859 4.601 -30.662 1.00 22.20 N ATOM 0 H ARG A 17 -117.691 0.036 -30.939 1.00 17.84 H new ATOM 0 HA ARG A 17 -116.409 2.390 -30.075 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -119.176 1.253 -29.519 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -118.684 2.884 -29.108 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -118.871 3.630 -31.249 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -118.219 2.156 -31.938 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -120.322 1.578 -32.508 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -120.656 1.343 -30.804 1.00 19.91 H new ATOM 0 HE ARG A 17 -121.399 3.687 -32.455 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -121.300 2.158 -29.258 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -122.502 3.259 -28.576 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -122.938 5.086 -31.556 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -123.422 4.902 -29.866 1.00 22.20 H new ATOM 279 N ASN A 18 -117.187 0.164 -27.772 1.00 17.62 N ATOM 280 CA ASN A 18 -116.968 -0.234 -26.386 1.00 17.37 C ATOM 281 C ASN A 18 -115.499 -0.569 -26.139 1.00 16.66 C ATOM 282 O ASN A 18 -114.994 -0.423 -25.026 1.00 16.34 O ATOM 283 CB ASN A 18 -117.843 -1.437 -26.034 1.00 17.47 C ATOM 284 CG ASN A 18 -117.850 -1.720 -24.547 1.00 17.64 C ATOM 285 OD1 ASN A 18 -118.096 -0.829 -23.734 1.00 17.99 O ATOM 286 ND2 ASN A 18 -117.584 -2.962 -24.179 1.00 17.50 N ATOM 0 H ASN A 18 -117.696 -0.520 -28.331 1.00 17.62 H new ATOM 0 HA ASN A 18 -117.242 0.605 -25.747 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -118.863 -1.254 -26.373 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -117.482 -2.316 -26.568 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -117.578 -3.211 -23.190 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -117.385 -3.671 -24.884 1.00 17.50 H new ATOM 700 N ALA A 44 -65.505 11.384 -6.207 1.00 11.18 N ATOM 701 CA ALA A 44 -64.176 11.918 -6.472 1.00 10.95 C ATOM 702 C ALA A 44 -63.587 12.527 -5.203 1.00 11.14 C ATOM 703 O ALA A 44 -64.167 13.453 -4.633 1.00 11.37 O ATOM 704 CB ALA A 44 -64.236 12.950 -7.584 1.00 10.91 C ATOM 0 HA ALA A 44 -63.528 11.103 -6.794 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -63.236 13.341 -7.772 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -64.620 12.485 -8.492 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -64.895 13.766 -7.288 1.00 10.91 H new ATOM 710 N PRO A 45 -62.425 12.010 -4.753 1.00 11.20 N ATOM 711 CA PRO A 45 -61.770 12.440 -3.508 1.00 11.61 C ATOM 712 C PRO A 45 -61.749 13.958 -3.328 1.00 11.90 C ATOM 713 O PRO A 45 -62.187 14.476 -2.300 1.00 12.39 O ATOM 714 CB PRO A 45 -60.350 11.902 -3.667 1.00 11.62 C ATOM 715 CG PRO A 45 -60.513 10.673 -4.491 1.00 11.27 C ATOM 716 CD PRO A 45 -61.662 10.941 -5.426 1.00 11.04 C ATOM 0 HA PRO A 45 -62.297 12.072 -2.628 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -59.702 12.628 -4.159 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -59.900 11.676 -2.700 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -59.602 10.454 -5.048 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -60.718 9.807 -3.861 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -61.312 11.258 -6.409 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -62.271 10.050 -5.577 1.00 11.04 H new ATOM 724 N TYR A 46 -61.245 14.665 -4.326 1.00 11.78 N ATOM 725 CA TYR A 46 -61.229 16.118 -4.294 1.00 12.25 C ATOM 726 C TYR A 46 -61.494 16.669 -5.678 1.00 12.17 C ATOM 727 O TYR A 46 -60.567 17.050 -6.396 1.00 12.24 O ATOM 728 CB TYR A 46 -59.897 16.636 -3.783 1.00 12.71 C ATOM 729 CG TYR A 46 -60.034 17.750 -2.773 1.00 13.40 C ATOM 730 CD1 TYR A 46 -60.088 19.079 -3.174 1.00 13.66 C ATOM 731 CD2 TYR A 46 -60.099 17.472 -1.414 1.00 13.96 C ATOM 732 CE1 TYR A 46 -60.205 20.098 -2.250 1.00 14.45 C ATOM 733 CE2 TYR A 46 -60.212 18.485 -0.484 1.00 14.73 C ATOM 734 CZ TYR A 46 -60.307 19.802 -0.918 1.00 14.98 C ATOM 735 OH TYR A 46 -60.370 20.809 0.020 1.00 15.86 O ATOM 0 H TYR A 46 -60.841 14.256 -5.169 1.00 11.78 H new ATOM 0 HA TYR A 46 -62.013 16.452 -3.614 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -59.344 15.812 -3.331 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -59.306 16.992 -4.627 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -60.038 19.319 -4.226 1.00 13.66 H new ATOM 0 HD2 TYR A 46 -60.060 16.446 -1.079 1.00 13.96 H new ATOM 0 HE1 TYR A 46 -60.216 21.127 -2.578 1.00 14.45 H new ATOM 0 HE2 TYR A 46 -60.226 18.257 0.571 1.00 14.73 H new ATOM 0 HH TYR A 46 -60.441 20.418 0.916 1.00 15.86 H new ATOM 745 N SER A 47 -62.764 16.674 -6.043 1.00 12.21 N ATOM 746 CA SER A 47 -63.232 17.105 -7.368 1.00 12.38 C ATOM 747 C SER A 47 -62.852 16.085 -8.449 1.00 11.92 C ATOM 748 O SER A 47 -63.633 15.809 -9.360 1.00 11.98 O ATOM 749 CB SER A 47 -62.686 18.493 -7.721 1.00 12.96 C ATOM 750 OG SER A 47 -63.197 19.486 -6.841 1.00 13.21 O ATOM 0 H SER A 47 -63.518 16.376 -5.425 1.00 12.21 H new ATOM 0 HA SER A 47 -64.320 17.167 -7.328 1.00 12.38 H new ATOM 0 HB2 SER A 47 -61.597 18.482 -7.669 1.00 12.96 H new ATOM 0 HB3 SER A 47 -62.953 18.741 -8.748 1.00 12.96 H new ATOM 0 HG SER A 47 -62.831 20.361 -7.088 1.00 13.21 H new ATOM 756 N ARG A 48 -61.658 15.525 -8.332 1.00 11.60 N ATOM 757 CA ARG A 48 -61.180 14.506 -9.247 1.00 11.33 C ATOM 758 C ARG A 48 -60.490 13.398 -8.459 1.00 10.91 C ATOM 759 O ARG A 48 -59.979 13.641 -7.364 1.00 10.95 O ATOM 760 CB ARG A 48 -60.196 15.116 -10.247 1.00 11.76 C ATOM 761 CG ARG A 48 -60.532 14.829 -11.702 1.00 12.38 C ATOM 762 CD ARG A 48 -59.661 15.651 -12.640 1.00 12.85 C ATOM 763 NE ARG A 48 -59.658 17.066 -12.277 1.00 12.95 N ATOM 764 CZ ARG A 48 -60.311 18.011 -12.954 1.00 13.65 C ATOM 765 NH1 ARG A 48 -60.957 17.707 -14.074 1.00 14.27 N ATOM 766 NH2 ARG A 48 -60.305 19.262 -12.515 1.00 13.88 N ATOM 0 H ARG A 48 -60.993 15.767 -7.597 1.00 11.60 H new ATOM 0 HA ARG A 48 -62.027 14.092 -9.793 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -60.166 16.195 -10.098 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -59.196 14.737 -10.034 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -60.392 13.768 -11.908 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -61.583 15.054 -11.887 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -58.641 15.268 -12.618 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -60.021 15.539 -13.663 1.00 12.85 H new ATOM 0 HE ARG A 48 -59.124 17.348 -11.455 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -60.955 16.747 -14.420 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -61.455 18.433 -14.589 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -59.801 19.500 -11.661 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -60.804 19.986 -13.032 1.00 13.88 H new ATOM 780 N PRO A 49 -60.505 12.163 -8.980 1.00 10.69 N ATOM 781 CA PRO A 49 -59.748 11.053 -8.393 1.00 10.51 C ATOM 782 C PRO A 49 -58.242 11.290 -8.472 1.00 10.52 C ATOM 783 O PRO A 49 -57.764 12.025 -9.338 1.00 10.80 O ATOM 784 CB PRO A 49 -60.143 9.848 -9.256 1.00 10.63 C ATOM 785 CG PRO A 49 -60.641 10.432 -10.530 1.00 10.68 C ATOM 786 CD PRO A 49 -61.277 11.738 -10.158 1.00 10.80 C ATOM 0 HA PRO A 49 -59.970 10.921 -7.334 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -59.291 9.191 -9.430 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -60.913 9.249 -8.769 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -59.825 10.582 -11.237 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -61.361 9.769 -11.009 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -61.209 12.464 -10.968 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -62.335 11.619 -9.925 1.00 10.80 H new ATOM 794 N LYS A 50 -57.500 10.672 -7.567 1.00 10.36 N ATOM 795 CA LYS A 50 -56.050 10.810 -7.550 1.00 10.37 C ATOM 796 C LYS A 50 -55.391 9.510 -7.981 1.00 10.32 C ATOM 797 O LYS A 50 -55.815 8.427 -7.571 1.00 10.35 O ATOM 798 CB LYS A 50 -55.545 11.204 -6.162 1.00 10.47 C ATOM 799 CG LYS A 50 -56.581 11.076 -5.057 1.00 10.65 C ATOM 800 CD LYS A 50 -56.400 12.151 -3.998 1.00 10.86 C ATOM 801 CE LYS A 50 -55.492 11.677 -2.876 1.00 11.05 C ATOM 802 NZ LYS A 50 -55.181 12.769 -1.917 1.00 11.40 N ATOM 0 H LYS A 50 -57.876 10.070 -6.835 1.00 10.36 H new ATOM 0 HA LYS A 50 -55.785 11.602 -8.251 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -54.686 10.582 -5.911 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -55.193 12.235 -6.196 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -57.581 11.149 -5.484 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -56.503 10.092 -4.595 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -55.979 13.047 -4.455 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -57.372 12.428 -3.589 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -55.970 10.853 -2.346 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -54.565 11.289 -3.298 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -54.559 12.405 -1.167 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -54.702 13.545 -2.418 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -56.063 13.122 -1.495 1.00 11.40 H new ATOM 816 N PRO A 51 -54.352 9.600 -8.817 1.00 10.48 N ATOM 817 CA PRO A 51 -53.636 8.431 -9.305 1.00 10.66 C ATOM 818 C PRO A 51 -52.608 7.918 -8.300 1.00 10.49 C ATOM 819 O PRO A 51 -52.247 6.739 -8.324 1.00 10.76 O ATOM 820 CB PRO A 51 -52.956 8.946 -10.572 1.00 11.11 C ATOM 821 CG PRO A 51 -52.728 10.400 -10.322 1.00 11.13 C ATOM 822 CD PRO A 51 -53.799 10.854 -9.362 1.00 10.75 C ATOM 0 HA PRO A 51 -54.297 7.582 -9.478 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -52.017 8.425 -10.756 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -53.584 8.790 -11.449 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -51.736 10.568 -9.902 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -52.780 10.964 -11.253 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -53.386 11.483 -8.573 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -54.566 11.440 -9.869 1.00 10.75 H new ATOM 1136 N GLY A 74 -4.724 7.044 -8.028 1.00 10.27 N ATOM 1137 CA GLY A 74 -3.602 6.182 -7.734 1.00 10.44 C ATOM 1138 C GLY A 74 -2.406 6.922 -7.177 1.00 10.53 C ATOM 1139 O GLY A 74 -1.970 7.924 -7.740 1.00 10.94 O ATOM 0 HA2 GLY A 74 -3.915 5.422 -7.018 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -3.306 5.660 -8.644 1.00 10.44 H new ATOM 1143 N ALA A 75 -1.892 6.439 -6.061 1.00 10.31 N ATOM 1144 CA ALA A 75 -0.630 6.924 -5.529 1.00 10.45 C ATOM 1145 C ALA A 75 0.346 5.759 -5.410 1.00 10.02 C ATOM 1146 O ALA A 75 0.156 4.870 -4.581 1.00 9.68 O ATOM 1147 CB ALA A 75 -0.840 7.606 -4.183 1.00 10.74 C ATOM 0 H ALA A 75 -2.331 5.707 -5.502 1.00 10.31 H new ATOM 0 HA ALA A 75 -0.212 7.666 -6.209 1.00 10.45 H new ATOM 0 HB1 ALA A 75 0.117 7.962 -3.802 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -1.519 8.450 -4.305 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -1.269 6.894 -3.478 1.00 10.74 H new ATOM 1153 N LYS A 76 1.375 5.756 -6.248 1.00 10.22 N ATOM 1154 CA LYS A 76 2.303 4.633 -6.313 1.00 9.99 C ATOM 1155 C LYS A 76 3.606 4.965 -5.596 1.00 10.09 C ATOM 1156 O LYS A 76 4.240 5.985 -5.873 1.00 10.63 O ATOM 1157 CB LYS A 76 2.589 4.258 -7.776 1.00 10.41 C ATOM 1158 CG LYS A 76 3.926 3.560 -7.997 1.00 10.50 C ATOM 1159 CD LYS A 76 3.790 2.352 -8.912 1.00 11.20 C ATOM 1160 CE LYS A 76 4.817 1.281 -8.574 1.00 11.56 C ATOM 1161 NZ LYS A 76 4.858 0.199 -9.594 1.00 11.62 N ATOM 0 H LYS A 76 1.588 6.518 -6.892 1.00 10.22 H new ATOM 0 HA LYS A 76 1.840 3.782 -5.814 1.00 9.99 H new ATOM 0 HB2 LYS A 76 1.790 3.609 -8.135 1.00 10.41 H new ATOM 0 HB3 LYS A 76 2.561 5.163 -8.383 1.00 10.41 H new ATOM 0 HG2 LYS A 76 4.637 4.265 -8.429 1.00 10.50 H new ATOM 0 HG3 LYS A 76 4.334 3.244 -7.037 1.00 10.50 H new ATOM 0 HD2 LYS A 76 2.786 1.937 -8.822 1.00 11.20 H new ATOM 0 HD3 LYS A 76 3.915 2.663 -9.949 1.00 11.20 H new ATOM 0 HE2 LYS A 76 5.803 1.739 -8.493 1.00 11.56 H new ATOM 0 HE3 LYS A 76 4.584 0.851 -7.600 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 5.571 -0.507 -9.322 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 3.925 -0.256 -9.655 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 5.107 0.603 -10.519 1.00 11.62 H new ATOM 1175 N LEU A 77 3.986 4.104 -4.673 1.00 9.69 N ATOM 1176 CA LEU A 77 5.208 4.279 -3.904 1.00 9.77 C ATOM 1177 C LEU A 77 6.205 3.176 -4.257 1.00 9.68 C ATOM 1178 O LEU A 77 5.851 1.995 -4.270 1.00 9.42 O ATOM 1179 CB LEU A 77 4.848 4.263 -2.402 1.00 9.58 C ATOM 1180 CG LEU A 77 5.974 4.047 -1.366 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.398 2.589 -1.288 1.00 9.26 C ATOM 1182 CD2 LEU A 77 7.171 4.949 -1.641 1.00 10.17 C ATOM 0 H LEU A 77 3.459 3.264 -4.433 1.00 9.69 H new ATOM 0 HA LEU A 77 5.679 5.233 -4.142 1.00 9.77 H new ATOM 0 HB2 LEU A 77 4.364 5.211 -2.169 1.00 9.58 H new ATOM 0 HB3 LEU A 77 4.105 3.480 -2.250 1.00 9.58 H new ATOM 0 HG LEU A 77 5.566 4.323 -0.394 1.00 9.63 H new ATOM 0 HD11 LEU A 77 7.191 2.480 -0.548 1.00 9.26 H new ATOM 0 HD12 LEU A 77 5.544 1.977 -0.997 1.00 9.26 H new ATOM 0 HD13 LEU A 77 6.763 2.264 -2.262 1.00 9.26 H new ATOM 0 HD21 LEU A 77 7.942 4.769 -0.892 1.00 10.17 H new ATOM 0 HD22 LEU A 77 7.570 4.732 -2.632 1.00 10.17 H new ATOM 0 HD23 LEU A 77 6.858 5.992 -1.596 1.00 10.17 H new ATOM 1194 N LEU A 78 7.439 3.564 -4.555 1.00 10.10 N ATOM 1195 CA LEU A 78 8.504 2.605 -4.796 1.00 10.21 C ATOM 1196 C LEU A 78 9.581 2.727 -3.730 1.00 10.19 C ATOM 1197 O LEU A 78 10.336 3.703 -3.713 1.00 10.62 O ATOM 1198 CB LEU A 78 9.136 2.838 -6.167 1.00 10.97 C ATOM 1199 CG LEU A 78 8.230 2.583 -7.365 1.00 11.03 C ATOM 1200 CD1 LEU A 78 8.754 3.331 -8.579 1.00 11.63 C ATOM 1201 CD2 LEU A 78 8.143 1.091 -7.651 1.00 10.95 C ATOM 0 H LEU A 78 7.725 4.540 -4.635 1.00 10.10 H new ATOM 0 HA LEU A 78 8.068 1.606 -4.762 1.00 10.21 H new ATOM 0 HB2 LEU A 78 9.488 3.869 -6.214 1.00 10.97 H new ATOM 0 HB3 LEU A 78 10.013 2.197 -6.256 1.00 10.97 H new ATOM 0 HG LEU A 78 7.228 2.947 -7.137 1.00 11.03 H new ATOM 0 HD11 LEU A 78 8.101 3.144 -9.431 1.00 11.63 H new ATOM 0 HD12 LEU A 78 8.776 4.400 -8.366 1.00 11.63 H new ATOM 0 HD13 LEU A 78 9.762 2.987 -8.811 1.00 11.63 H new ATOM 0 HD21 LEU A 78 7.493 0.922 -8.509 1.00 10.95 H new ATOM 0 HD22 LEU A 78 9.138 0.704 -7.868 1.00 10.95 H new ATOM 0 HD23 LEU A 78 7.736 0.577 -6.781 1.00 10.95 H new ATOM 1213 N VAL A 79 9.645 1.752 -2.838 1.00 9.81 N ATOM 1214 CA VAL A 79 10.693 1.716 -1.825 1.00 9.81 C ATOM 1215 C VAL A 79 11.732 0.663 -2.176 1.00 10.08 C ATOM 1216 O VAL A 79 11.387 -0.474 -2.462 1.00 10.09 O ATOM 1217 CB VAL A 79 10.143 1.404 -0.421 1.00 9.37 C ATOM 1218 CG1 VAL A 79 9.476 2.615 0.189 1.00 9.42 C ATOM 1219 CG2 VAL A 79 9.182 0.240 -0.480 1.00 9.16 C ATOM 0 H VAL A 79 8.986 0.975 -2.793 1.00 9.81 H new ATOM 0 HA VAL A 79 11.141 2.710 -1.809 1.00 9.81 H new ATOM 0 HB VAL A 79 10.983 1.132 0.217 1.00 9.37 H new ATOM 0 HG11 VAL A 79 9.098 2.362 1.180 1.00 9.42 H new ATOM 0 HG12 VAL A 79 10.200 3.426 0.273 1.00 9.42 H new ATOM 0 HG13 VAL A 79 8.648 2.932 -0.445 1.00 9.42 H new ATOM 0 HG21 VAL A 79 8.802 0.031 0.520 1.00 9.16 H new ATOM 0 HG22 VAL A 79 8.351 0.488 -1.140 1.00 9.16 H new ATOM 0 HG23 VAL A 79 9.699 -0.640 -0.862 1.00 9.16 H new ATOM 1229 N SER A 80 12.989 1.059 -2.214 1.00 10.48 N ATOM 1230 CA SER A 80 14.078 0.107 -2.368 1.00 10.87 C ATOM 1231 C SER A 80 15.154 0.348 -1.314 1.00 10.93 C ATOM 1232 O SER A 80 15.762 1.418 -1.270 1.00 11.28 O ATOM 1233 CB SER A 80 14.680 0.210 -3.770 1.00 11.70 C ATOM 1234 OG SER A 80 13.679 0.485 -4.734 1.00 11.92 O ATOM 0 H SER A 80 13.284 2.033 -2.141 1.00 10.48 H new ATOM 0 HA SER A 80 13.678 -0.898 -2.231 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.434 0.997 -3.789 1.00 11.70 H new ATOM 0 HB3 SER A 80 15.186 -0.722 -4.022 1.00 11.70 H new ATOM 0 HG SER A 80 14.089 0.548 -5.622 1.00 11.92 H new ATOM 1240 N ASN A 81 15.362 -0.636 -0.450 1.00 10.71 N ATOM 1241 CA ASN A 81 16.420 -0.556 0.554 1.00 10.82 C ATOM 1242 C ASN A 81 16.761 -1.940 1.102 1.00 11.07 C ATOM 1243 O ASN A 81 17.932 -2.325 1.125 1.00 11.33 O ATOM 1244 CB ASN A 81 16.047 0.417 1.693 1.00 10.85 C ATOM 1245 CG ASN A 81 14.906 -0.061 2.581 1.00 11.09 C ATOM 1246 OD1 ASN A 81 13.953 -0.687 2.117 1.00 11.13 O ATOM 1247 ND2 ASN A 81 14.998 0.240 3.869 1.00 11.43 N ATOM 0 H ASN A 81 14.816 -1.497 -0.422 1.00 10.71 H new ATOM 0 HA ASN A 81 17.309 -0.160 0.064 1.00 10.82 H new ATOM 0 HB2 ASN A 81 16.927 0.586 2.313 1.00 10.85 H new ATOM 0 HB3 ASN A 81 15.774 1.379 1.258 1.00 10.85 H new ATOM 0 HD21 ASN A 81 14.263 -0.049 4.514 1.00 11.43 H new ATOM 0 HD22 ASN A 81 15.804 0.760 4.215 1.00 11.43 H new ATOM 1254 N LEU A 82 15.733 -2.684 1.525 1.00 11.17 N ATOM 1255 CA LEU A 82 15.885 -4.034 2.081 1.00 11.63 C ATOM 1256 C LEU A 82 16.563 -4.008 3.451 1.00 11.86 C ATOM 1257 O LEU A 82 15.946 -4.364 4.457 1.00 12.01 O ATOM 1258 CB LEU A 82 16.668 -4.950 1.130 1.00 12.01 C ATOM 1259 CG LEU A 82 16.782 -6.404 1.587 1.00 12.36 C ATOM 1260 CD1 LEU A 82 15.819 -7.287 0.812 1.00 12.48 C ATOM 1261 CD2 LEU A 82 18.211 -6.904 1.434 1.00 12.61 C ATOM 0 H LEU A 82 14.765 -2.364 1.491 1.00 11.17 H new ATOM 0 HA LEU A 82 14.879 -4.436 2.202 1.00 11.63 H new ATOM 0 HB2 LEU A 82 16.189 -4.928 0.151 1.00 12.01 H new ATOM 0 HB3 LEU A 82 17.672 -4.545 1.002 1.00 12.01 H new ATOM 0 HG LEU A 82 16.514 -6.452 2.643 1.00 12.36 H new ATOM 0 HD11 LEU A 82 15.916 -8.318 1.153 1.00 12.48 H new ATOM 0 HD12 LEU A 82 14.798 -6.945 0.978 1.00 12.48 H new ATOM 0 HD13 LEU A 82 16.051 -7.233 -0.252 1.00 12.48 H new ATOM 0 HD21 LEU A 82 18.271 -7.941 1.765 1.00 12.61 H new ATOM 0 HD22 LEU A 82 18.509 -6.839 0.388 1.00 12.61 H new ATOM 0 HD23 LEU A 82 18.878 -6.291 2.040 1.00 12.61 H new ATOM 1273 N ASP A 83 17.827 -3.585 3.468 1.00 12.07 N ATOM 1274 CA ASP A 83 18.653 -3.563 4.677 1.00 12.45 C ATOM 1275 C ASP A 83 18.847 -4.981 5.222 1.00 12.57 C ATOM 1276 O ASP A 83 19.773 -5.677 4.811 1.00 13.12 O ATOM 1277 CB ASP A 83 18.065 -2.622 5.736 1.00 12.62 C ATOM 1278 CG ASP A 83 18.989 -2.436 6.925 1.00 13.10 C ATOM 1279 OD1 ASP A 83 20.224 -2.467 6.735 1.00 13.12 O ATOM 1280 OD2 ASP A 83 18.488 -2.263 8.055 1.00 13.59 O ATOM 0 H ASP A 83 18.311 -3.245 2.637 1.00 12.07 H new ATOM 0 HA ASP A 83 19.635 -3.171 4.413 1.00 12.45 H new ATOM 0 HB2 ASP A 83 17.862 -1.652 5.283 1.00 12.62 H new ATOM 0 HB3 ASP A 83 17.110 -3.019 6.081 1.00 12.62 H new ATOM 1285 N PHE A 84 17.978 -5.419 6.128 1.00 12.22 N ATOM 1286 CA PHE A 84 18.024 -6.793 6.609 1.00 12.46 C ATOM 1287 C PHE A 84 17.203 -7.691 5.688 1.00 12.41 C ATOM 1288 O PHE A 84 17.515 -8.866 5.492 1.00 12.73 O ATOM 1289 CB PHE A 84 17.517 -6.878 8.064 1.00 12.51 C ATOM 1290 CG PHE A 84 16.135 -7.464 8.219 1.00 12.50 C ATOM 1291 CD1 PHE A 84 15.010 -6.658 8.118 1.00 12.45 C ATOM 1292 CD2 PHE A 84 15.964 -8.817 8.468 1.00 12.69 C ATOM 1293 CE1 PHE A 84 13.743 -7.192 8.263 1.00 12.59 C ATOM 1294 CE2 PHE A 84 14.700 -9.355 8.615 1.00 12.83 C ATOM 1295 CZ PHE A 84 13.587 -8.540 8.497 1.00 12.79 C ATOM 0 H PHE A 84 17.240 -4.847 6.540 1.00 12.22 H new ATOM 0 HA PHE A 84 19.058 -7.138 6.599 1.00 12.46 H new ATOM 0 HB2 PHE A 84 18.218 -7.478 8.644 1.00 12.51 H new ATOM 0 HB3 PHE A 84 17.522 -5.877 8.495 1.00 12.51 H new ATOM 0 HD1 PHE A 84 15.125 -5.602 7.924 1.00 12.45 H new ATOM 0 HD2 PHE A 84 16.829 -9.458 8.548 1.00 12.69 H new ATOM 0 HE1 PHE A 84 12.876 -6.552 8.193 1.00 12.59 H new ATOM 0 HE2 PHE A 84 14.580 -10.408 8.821 1.00 12.83 H new ATOM 0 HZ PHE A 84 12.597 -8.961 8.588 1.00 12.79 H new ATOM 1305 N GLY A 85 16.166 -7.114 5.098 1.00 12.18 N ATOM 1306 CA GLY A 85 15.267 -7.877 4.265 1.00 12.33 C ATOM 1307 C GLY A 85 13.826 -7.693 4.682 1.00 12.00 C ATOM 1308 O GLY A 85 13.169 -8.649 5.094 1.00 12.39 O ATOM 0 H GLY A 85 15.933 -6.125 5.184 1.00 12.18 H new ATOM 0 HA2 GLY A 85 15.387 -7.572 3.226 1.00 12.33 H new ATOM 0 HA3 GLY A 85 15.529 -8.934 4.319 1.00 12.33 H new ATOM 1312 N VAL A 86 13.345 -6.456 4.592 1.00 11.43 N ATOM 1313 CA VAL A 86 11.972 -6.133 4.967 1.00 11.18 C ATOM 1314 C VAL A 86 10.980 -6.941 4.140 1.00 11.50 C ATOM 1315 O VAL A 86 10.884 -6.771 2.925 1.00 11.42 O ATOM 1316 CB VAL A 86 11.661 -4.628 4.800 1.00 10.44 C ATOM 1317 CG1 VAL A 86 11.925 -3.883 6.096 1.00 10.36 C ATOM 1318 CG2 VAL A 86 12.465 -4.022 3.656 1.00 10.15 C ATOM 0 H VAL A 86 13.888 -5.658 4.261 1.00 11.43 H new ATOM 0 HA VAL A 86 11.869 -6.391 6.021 1.00 11.18 H new ATOM 0 HB VAL A 86 10.604 -4.528 4.553 1.00 10.44 H new ATOM 0 HG11 VAL A 86 11.701 -2.825 5.960 1.00 10.36 H new ATOM 0 HG12 VAL A 86 11.292 -4.289 6.885 1.00 10.36 H new ATOM 0 HG13 VAL A 86 12.972 -3.999 6.375 1.00 10.36 H new ATOM 0 HG21 VAL A 86 12.225 -2.963 3.563 1.00 10.15 H new ATOM 0 HG22 VAL A 86 13.530 -4.136 3.859 1.00 10.15 H new ATOM 0 HG23 VAL A 86 12.216 -4.533 2.726 1.00 10.15 H new ATOM 1328 N SER A 87 10.273 -7.844 4.808 1.00 12.04 N ATOM 1329 CA SER A 87 9.291 -8.693 4.167 1.00 12.55 C ATOM 1330 C SER A 87 8.136 -7.884 3.586 1.00 12.18 C ATOM 1331 O SER A 87 7.974 -6.699 3.890 1.00 11.57 O ATOM 1332 CB SER A 87 8.775 -9.690 5.201 1.00 13.39 C ATOM 1333 OG SER A 87 9.631 -9.723 6.335 1.00 13.46 O ATOM 0 H SER A 87 10.369 -8.004 5.811 1.00 12.04 H new ATOM 0 HA SER A 87 9.761 -9.215 3.334 1.00 12.55 H new ATOM 0 HB2 SER A 87 7.766 -9.414 5.508 1.00 13.39 H new ATOM 0 HB3 SER A 87 8.713 -10.683 4.757 1.00 13.39 H new ATOM 0 HG SER A 87 9.179 -9.306 7.098 1.00 13.46 H new ATOM 1339 N ASP A 88 7.333 -8.536 2.755 1.00 12.66 N ATOM 1340 CA ASP A 88 6.174 -7.896 2.146 1.00 12.44 C ATOM 1341 C ASP A 88 5.173 -7.461 3.214 1.00 12.35 C ATOM 1342 O ASP A 88 4.498 -6.444 3.068 1.00 11.82 O ATOM 1343 CB ASP A 88 5.528 -8.834 1.113 1.00 13.21 C ATOM 1344 CG ASP A 88 4.264 -9.522 1.596 1.00 13.68 C ATOM 1345 OD1 ASP A 88 4.362 -10.425 2.455 1.00 14.23 O ATOM 1346 OD2 ASP A 88 3.173 -9.193 1.090 1.00 13.63 O ATOM 0 H ASP A 88 7.464 -9.511 2.487 1.00 12.66 H new ATOM 0 HA ASP A 88 6.503 -6.998 1.623 1.00 12.44 H new ATOM 0 HB2 ASP A 88 5.295 -8.261 0.215 1.00 13.21 H new ATOM 0 HB3 ASP A 88 6.254 -9.594 0.826 1.00 13.21 H new ATOM 1351 N ALA A 89 5.107 -8.221 4.300 1.00 13.02 N ATOM 1352 CA ALA A 89 4.267 -7.862 5.430 1.00 13.24 C ATOM 1353 C ALA A 89 4.923 -6.757 6.247 1.00 12.75 C ATOM 1354 O ALA A 89 4.239 -5.918 6.831 1.00 12.82 O ATOM 1355 CB ALA A 89 3.995 -9.079 6.303 1.00 14.29 C ATOM 0 H ALA A 89 5.627 -9.090 4.420 1.00 13.02 H new ATOM 0 HA ALA A 89 3.315 -7.494 5.049 1.00 13.24 H new ATOM 0 HB1 ALA A 89 3.364 -8.790 7.144 1.00 14.29 H new ATOM 0 HB2 ALA A 89 3.487 -9.843 5.714 1.00 14.29 H new ATOM 0 HB3 ALA A 89 4.938 -9.477 6.677 1.00 14.29 H new ATOM 1361 N ASP A 90 6.255 -6.751 6.260 1.00 12.38 N ATOM 1362 CA ASP A 90 7.010 -5.758 7.015 1.00 12.03 C ATOM 1363 C ASP A 90 6.785 -4.372 6.433 1.00 11.35 C ATOM 1364 O ASP A 90 6.288 -3.475 7.111 1.00 11.52 O ATOM 1365 CB ASP A 90 8.504 -6.088 6.998 1.00 11.82 C ATOM 1366 CG ASP A 90 8.968 -6.756 8.273 1.00 12.43 C ATOM 1367 OD1 ASP A 90 9.280 -6.037 9.247 1.00 12.76 O ATOM 1368 OD2 ASP A 90 9.025 -8.008 8.303 1.00 12.67 O ATOM 0 H ASP A 90 6.832 -7.424 5.755 1.00 12.38 H new ATOM 0 HA ASP A 90 6.659 -5.775 8.047 1.00 12.03 H new ATOM 0 HB2 ASP A 90 8.718 -6.741 6.152 1.00 11.82 H new ATOM 0 HB3 ASP A 90 9.073 -5.171 6.845 1.00 11.82 H new ATOM 1373 N ILE A 91 7.159 -4.205 5.167 1.00 10.74 N ATOM 1374 CA ILE A 91 6.965 -2.940 4.467 1.00 10.19 C ATOM 1375 C ILE A 91 5.494 -2.509 4.466 1.00 10.43 C ATOM 1376 O ILE A 91 5.196 -1.317 4.558 1.00 10.36 O ATOM 1377 CB ILE A 91 7.510 -3.001 3.017 1.00 9.70 C ATOM 1378 CG1 ILE A 91 7.574 -1.597 2.413 1.00 9.11 C ATOM 1379 CG2 ILE A 91 6.666 -3.921 2.144 1.00 9.94 C ATOM 1380 CD1 ILE A 91 8.624 -0.712 3.050 1.00 9.17 C ATOM 0 H ILE A 91 7.599 -4.933 4.604 1.00 10.74 H new ATOM 0 HA ILE A 91 7.535 -2.189 5.014 1.00 10.19 H new ATOM 0 HB ILE A 91 8.518 -3.413 3.055 1.00 9.70 H new ATOM 0 HG12 ILE A 91 7.778 -1.679 1.345 1.00 9.11 H new ATOM 0 HG13 ILE A 91 6.599 -1.121 2.516 1.00 9.11 H new ATOM 0 HG21 ILE A 91 7.076 -3.941 1.134 1.00 9.94 H new ATOM 0 HG22 ILE A 91 6.677 -4.928 2.560 1.00 9.94 H new ATOM 0 HG23 ILE A 91 5.641 -3.553 2.112 1.00 9.94 H new ATOM 0 HD11 ILE A 91 8.613 0.268 2.572 1.00 9.17 H new ATOM 0 HD12 ILE A 91 8.409 -0.600 4.113 1.00 9.17 H new ATOM 0 HD13 ILE A 91 9.607 -1.166 2.924 1.00 9.17 H new ATOM 1392 N GLN A 92 4.580 -3.476 4.375 1.00 10.89 N ATOM 1393 CA GLN A 92 3.151 -3.187 4.439 1.00 11.26 C ATOM 1394 C GLN A 92 2.800 -2.576 5.789 1.00 11.84 C ATOM 1395 O GLN A 92 2.196 -1.508 5.864 1.00 11.95 O ATOM 1396 CB GLN A 92 2.334 -4.464 4.210 1.00 11.85 C ATOM 1397 CG GLN A 92 0.850 -4.312 4.506 1.00 12.25 C ATOM 1398 CD GLN A 92 0.378 -5.217 5.630 1.00 13.23 C ATOM 1399 OE1 GLN A 92 0.082 -6.393 5.416 1.00 13.70 O ATOM 1400 NE2 GLN A 92 0.300 -4.674 6.836 1.00 13.70 N ATOM 0 H GLN A 92 4.805 -4.464 4.257 1.00 10.89 H new ATOM 0 HA GLN A 92 2.906 -2.473 3.653 1.00 11.26 H new ATOM 0 HB2 GLN A 92 2.457 -4.780 3.174 1.00 11.85 H new ATOM 0 HB3 GLN A 92 2.739 -5.259 4.836 1.00 11.85 H new ATOM 0 HG2 GLN A 92 0.641 -3.275 4.769 1.00 12.25 H new ATOM 0 HG3 GLN A 92 0.280 -4.533 3.604 1.00 12.25 H new ATOM 0 HE21 GLN A 92 0.554 -3.696 6.972 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -0.014 -5.234 7.628 1.00 13.70 H new ATOM 1409 N GLU A 93 3.178 -3.270 6.853 1.00 12.34 N ATOM 1410 CA GLU A 93 2.935 -2.796 8.207 1.00 13.06 C ATOM 1411 C GLU A 93 3.578 -1.435 8.437 1.00 12.81 C ATOM 1412 O GLU A 93 2.986 -0.555 9.068 1.00 13.39 O ATOM 1413 CB GLU A 93 3.463 -3.804 9.222 1.00 13.62 C ATOM 1414 CG GLU A 93 2.368 -4.624 9.876 1.00 14.57 C ATOM 1415 CD GLU A 93 1.582 -3.826 10.892 1.00 15.36 C ATOM 1416 OE1 GLU A 93 0.781 -2.960 10.477 1.00 15.75 O ATOM 1417 OE2 GLU A 93 1.759 -4.057 12.108 1.00 15.72 O ATOM 0 H GLU A 93 3.657 -4.169 6.803 1.00 12.34 H new ATOM 0 HA GLU A 93 1.858 -2.689 8.338 1.00 13.06 H new ATOM 0 HB2 GLU A 93 4.164 -4.476 8.726 1.00 13.62 H new ATOM 0 HB3 GLU A 93 4.021 -3.274 9.994 1.00 13.62 H new ATOM 0 HG2 GLU A 93 1.690 -4.999 9.109 1.00 14.57 H new ATOM 0 HG3 GLU A 93 2.810 -5.493 10.363 1.00 14.57 H new ATOM 1424 N LEU A 94 4.781 -1.259 7.910 1.00 12.08 N ATOM 1425 CA LEU A 94 5.512 -0.014 8.079 1.00 11.97 C ATOM 1426 C LEU A 94 4.802 1.135 7.373 1.00 11.94 C ATOM 1427 O LEU A 94 4.457 2.129 7.990 1.00 12.57 O ATOM 1428 CB LEU A 94 6.942 -0.155 7.546 1.00 11.31 C ATOM 1429 CG LEU A 94 7.796 1.110 7.635 1.00 11.47 C ATOM 1430 CD1 LEU A 94 8.459 1.215 9.001 1.00 11.42 C ATOM 1431 CD2 LEU A 94 8.842 1.124 6.531 1.00 11.53 C ATOM 0 H LEU A 94 5.271 -1.965 7.361 1.00 12.08 H new ATOM 0 HA LEU A 94 5.553 0.210 9.145 1.00 11.97 H new ATOM 0 HB2 LEU A 94 7.442 -0.951 8.098 1.00 11.31 H new ATOM 0 HB3 LEU A 94 6.895 -0.470 6.504 1.00 11.31 H new ATOM 0 HG LEU A 94 7.145 1.974 7.504 1.00 11.47 H new ATOM 0 HD11 LEU A 94 9.062 2.122 9.044 1.00 11.42 H new ATOM 0 HD12 LEU A 94 7.693 1.252 9.775 1.00 11.42 H new ATOM 0 HD13 LEU A 94 9.097 0.347 9.163 1.00 11.42 H new ATOM 0 HD21 LEU A 94 9.441 2.031 6.609 1.00 11.53 H new ATOM 0 HD22 LEU A 94 9.489 0.252 6.631 1.00 11.53 H new ATOM 0 HD23 LEU A 94 8.347 1.099 5.560 1.00 11.53 H new ATOM 1443 N PHE A 95 4.639 1.016 6.068 1.00 11.31 N ATOM 1444 CA PHE A 95 3.940 2.047 5.305 1.00 11.29 C ATOM 1445 C PHE A 95 2.481 2.260 5.744 1.00 11.98 C ATOM 1446 O PHE A 95 1.927 3.326 5.500 1.00 12.28 O ATOM 1447 CB PHE A 95 4.033 1.783 3.808 1.00 10.57 C ATOM 1448 CG PHE A 95 4.797 2.863 3.105 1.00 10.24 C ATOM 1449 CD1 PHE A 95 4.165 4.022 2.692 1.00 10.59 C ATOM 1450 CD2 PHE A 95 6.143 2.704 2.833 1.00 9.80 C ATOM 1451 CE1 PHE A 95 4.864 5.004 2.020 1.00 10.56 C ATOM 1452 CE2 PHE A 95 6.850 3.683 2.164 1.00 9.76 C ATOM 1453 CZ PHE A 95 6.216 4.892 1.852 1.00 10.20 C ATOM 0 H PHE A 95 4.975 0.228 5.515 1.00 11.31 H new ATOM 0 HA PHE A 95 4.456 2.981 5.526 1.00 11.29 H new ATOM 0 HB2 PHE A 95 4.519 0.822 3.637 1.00 10.57 H new ATOM 0 HB3 PHE A 95 3.030 1.713 3.387 1.00 10.57 H new ATOM 0 HD1 PHE A 95 3.114 4.160 2.898 1.00 10.59 H new ATOM 0 HD2 PHE A 95 6.648 1.803 3.148 1.00 9.80 H new ATOM 0 HE1 PHE A 95 4.342 5.863 1.626 1.00 10.56 H new ATOM 0 HE2 PHE A 95 7.880 3.518 1.884 1.00 9.76 H new ATOM 0 HZ PHE A 95 6.790 5.729 1.482 1.00 10.20 H new ATOM 1463 N ALA A 96 1.859 1.270 6.381 1.00 12.37 N ATOM 1464 CA ALA A 96 0.548 1.480 7.011 1.00 13.23 C ATOM 1465 C ALA A 96 0.704 2.387 8.234 1.00 14.04 C ATOM 1466 O ALA A 96 -0.154 3.206 8.563 1.00 14.68 O ATOM 1467 CB ALA A 96 -0.072 0.152 7.415 1.00 13.64 C ATOM 0 H ALA A 96 2.231 0.325 6.477 1.00 12.37 H new ATOM 0 HA ALA A 96 -0.115 1.960 6.291 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -1.042 0.330 7.879 1.00 13.64 H new ATOM 0 HB2 ALA A 96 -0.202 -0.473 6.531 1.00 13.64 H new ATOM 0 HB3 ALA A 96 0.583 -0.354 8.124 1.00 13.64 H new ATOM 1473 N GLU A 97 1.814 2.189 8.905 1.00 14.09 N ATOM 1474 CA GLU A 97 2.230 3.074 9.981 1.00 14.82 C ATOM 1475 C GLU A 97 2.530 4.462 9.402 1.00 14.74 C ATOM 1476 O GLU A 97 2.187 5.488 9.990 1.00 15.58 O ATOM 1477 CB GLU A 97 3.448 2.504 10.703 1.00 14.74 C ATOM 1478 CG GLU A 97 3.184 2.171 12.159 1.00 15.73 C ATOM 1479 CD GLU A 97 3.588 3.295 13.080 1.00 16.14 C ATOM 1480 OE1 GLU A 97 4.720 3.799 12.955 1.00 16.03 O ATOM 1481 OE2 GLU A 97 2.772 3.677 13.943 1.00 16.68 O ATOM 0 H GLU A 97 2.455 1.416 8.726 1.00 14.09 H new ATOM 0 HA GLU A 97 1.427 3.161 10.713 1.00 14.82 H new ATOM 0 HB2 GLU A 97 3.779 1.603 10.186 1.00 14.74 H new ATOM 0 HB3 GLU A 97 4.265 3.223 10.645 1.00 14.74 H new ATOM 0 HG2 GLU A 97 2.124 1.955 12.295 1.00 15.73 H new ATOM 0 HG3 GLU A 97 3.731 1.267 12.429 1.00 15.73 H new ATOM 1488 N PHE A 98 3.163 4.466 8.232 1.00 13.84 N ATOM 1489 CA PHE A 98 3.460 5.688 7.475 1.00 13.78 C ATOM 1490 C PHE A 98 2.205 6.327 6.860 1.00 14.08 C ATOM 1491 O PHE A 98 2.285 7.403 6.270 1.00 14.23 O ATOM 1492 CB PHE A 98 4.447 5.374 6.350 1.00 12.84 C ATOM 1493 CG PHE A 98 5.894 5.384 6.759 1.00 12.77 C ATOM 1494 CD1 PHE A 98 6.270 5.651 8.065 1.00 12.76 C ATOM 1495 CD2 PHE A 98 6.879 5.126 5.823 1.00 12.86 C ATOM 1496 CE1 PHE A 98 7.604 5.658 8.428 1.00 12.87 C ATOM 1497 CE2 PHE A 98 8.214 5.132 6.178 1.00 12.95 C ATOM 1498 CZ PHE A 98 8.577 5.397 7.483 1.00 12.97 C ATOM 0 H PHE A 98 3.489 3.615 7.775 1.00 13.84 H new ATOM 0 HA PHE A 98 3.887 6.398 8.183 1.00 13.78 H new ATOM 0 HB2 PHE A 98 4.207 4.394 5.939 1.00 12.84 H new ATOM 0 HB3 PHE A 98 4.306 6.099 5.549 1.00 12.84 H new ATOM 0 HD1 PHE A 98 5.513 5.856 8.808 1.00 12.76 H new ATOM 0 HD2 PHE A 98 6.601 4.917 4.801 1.00 12.86 H new ATOM 0 HE1 PHE A 98 7.885 5.867 9.450 1.00 12.87 H new ATOM 0 HE2 PHE A 98 8.972 4.930 5.436 1.00 12.95 H new ATOM 0 HZ PHE A 98 9.620 5.400 7.765 1.00 12.97 H new ATOM 1508 N GLY A 99 1.057 5.682 7.002 1.00 14.25 N ATOM 1509 CA GLY A 99 -0.147 6.211 6.383 1.00 14.54 C ATOM 1510 C GLY A 99 -1.120 5.159 5.890 1.00 14.14 C ATOM 1511 O GLY A 99 -0.914 3.963 6.076 1.00 14.45 O ATOM 0 H GLY A 99 0.934 4.815 7.525 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -0.658 6.851 7.103 1.00 14.54 H new ATOM 0 HA3 GLY A 99 0.140 6.843 5.543 1.00 14.54 H new ATOM 1515 N THR A 100 -2.195 5.629 5.275 1.00 13.58 N ATOM 1516 CA THR A 100 -3.257 4.767 4.779 1.00 13.32 C ATOM 1517 C THR A 100 -2.792 3.918 3.598 1.00 12.31 C ATOM 1518 O THR A 100 -2.666 4.408 2.475 1.00 11.75 O ATOM 1519 CB THR A 100 -4.465 5.614 4.348 1.00 13.60 C ATOM 1520 OG1 THR A 100 -4.181 7.005 4.574 1.00 14.03 O ATOM 1521 CG2 THR A 100 -5.711 5.209 5.121 1.00 14.35 C ATOM 0 H THR A 100 -2.356 6.622 5.105 1.00 13.58 H new ATOM 0 HA THR A 100 -3.540 4.098 5.591 1.00 13.32 H new ATOM 0 HB THR A 100 -4.649 5.445 3.287 1.00 13.60 H new ATOM 0 HG1 THR A 100 -3.619 7.346 3.847 1.00 14.03 H new ATOM 0 HG21 THR A 100 -6.554 5.821 4.800 1.00 14.35 H new ATOM 0 HG22 THR A 100 -5.932 4.159 4.930 1.00 14.35 H new ATOM 0 HG23 THR A 100 -5.541 5.356 6.188 1.00 14.35 H new ATOM 1529 N LEU A 101 -2.555 2.641 3.855 1.00 12.24 N ATOM 1530 CA LEU A 101 -2.069 1.745 2.822 1.00 11.47 C ATOM 1531 C LEU A 101 -3.215 1.010 2.140 1.00 11.61 C ATOM 1532 O LEU A 101 -3.595 -0.091 2.546 1.00 12.28 O ATOM 1533 CB LEU A 101 -1.059 0.748 3.391 1.00 11.39 C ATOM 1534 CG LEU A 101 0.063 0.365 2.425 1.00 10.65 C ATOM 1535 CD1 LEU A 101 0.434 1.546 1.545 1.00 10.24 C ATOM 1536 CD2 LEU A 101 1.283 -0.128 3.183 1.00 10.45 C ATOM 0 H LEU A 101 -2.691 2.205 4.767 1.00 12.24 H new ATOM 0 HA LEU A 101 -1.566 2.355 2.072 1.00 11.47 H new ATOM 0 HB2 LEU A 101 -0.617 1.172 4.293 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -1.589 -0.156 3.691 1.00 11.39 H new ATOM 0 HG LEU A 101 -0.298 -0.444 1.791 1.00 10.65 H new ATOM 0 HD11 LEU A 101 1.234 1.255 0.864 1.00 10.24 H new ATOM 0 HD12 LEU A 101 -0.437 1.859 0.969 1.00 10.24 H new ATOM 0 HD13 LEU A 101 0.772 2.373 2.169 1.00 10.24 H new ATOM 0 HD21 LEU A 101 2.068 -0.395 2.475 1.00 10.45 H new ATOM 0 HD22 LEU A 101 1.643 0.660 3.845 1.00 10.45 H new ATOM 0 HD23 LEU A 101 1.015 -1.004 3.774 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.774 1.659 1.124 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.796 1.050 0.272 1.00 11.26 C ATOM 1550 C LYS A 102 -4.346 -0.339 -0.197 1.00 11.16 C ATOM 1551 O LYS A 102 -5.076 -1.319 -0.038 1.00 11.79 O ATOM 1552 CB LYS A 102 -5.105 1.955 -0.928 1.00 10.93 C ATOM 1553 CG LYS A 102 -5.968 1.297 -1.995 1.00 11.36 C ATOM 1554 CD LYS A 102 -7.441 1.336 -1.627 1.00 11.57 C ATOM 1555 CE LYS A 102 -8.290 0.602 -2.651 1.00 12.20 C ATOM 1556 NZ LYS A 102 -9.720 0.994 -2.567 1.00 12.64 N ATOM 0 H LYS A 102 -3.535 2.617 0.867 1.00 11.11 H new ATOM 0 HA LYS A 102 -5.709 0.934 0.856 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -5.608 2.854 -0.572 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -4.166 2.274 -1.381 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -5.817 1.803 -2.948 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -5.654 0.262 -2.130 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -7.584 0.886 -0.645 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -7.772 2.372 -1.554 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -7.914 0.812 -3.652 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -8.198 -0.473 -2.495 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -10.195 0.770 -3.465 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -10.178 0.472 -1.793 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -9.790 2.015 -2.384 1.00 12.64 H new ATOM 1570 N LYS A 103 -3.149 -0.420 -0.773 1.00 10.53 N ATOM 1571 CA LYS A 103 -2.555 -1.704 -1.117 1.00 10.59 C ATOM 1572 C LYS A 103 -1.036 -1.621 -1.017 1.00 10.09 C ATOM 1573 O LYS A 103 -0.472 -0.538 -1.117 1.00 9.59 O ATOM 1574 CB LYS A 103 -3.002 -2.153 -2.518 1.00 10.70 C ATOM 1575 CG LYS A 103 -2.061 -1.757 -3.645 1.00 10.37 C ATOM 1576 CD LYS A 103 -2.791 -1.691 -4.976 1.00 10.76 C ATOM 1577 CE LYS A 103 -2.226 -2.688 -5.972 1.00 11.04 C ATOM 1578 NZ LYS A 103 -3.225 -3.082 -6.999 1.00 12.01 N ATOM 0 H LYS A 103 -2.574 0.388 -1.010 1.00 10.53 H new ATOM 0 HA LYS A 103 -2.902 -2.455 -0.407 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -3.111 -3.238 -2.519 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -3.987 -1.733 -2.722 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -1.614 -0.788 -3.425 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -1.245 -2.477 -3.710 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -3.851 -1.892 -4.821 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -2.714 -0.684 -5.385 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -1.354 -2.255 -6.463 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -1.884 -3.576 -5.441 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -2.796 -3.763 -7.657 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -4.046 -3.519 -6.535 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -3.533 -2.239 -7.525 1.00 12.01 H new ATOM 1592 N ALA A 104 -0.382 -2.750 -0.788 1.00 10.38 N ATOM 1593 CA ALA A 104 1.076 -2.786 -0.714 1.00 10.01 C ATOM 1594 C ALA A 104 1.602 -4.185 -1.003 1.00 10.44 C ATOM 1595 O ALA A 104 1.015 -5.183 -0.583 1.00 10.99 O ATOM 1596 CB ALA A 104 1.571 -2.311 0.647 1.00 9.89 C ATOM 0 H ALA A 104 -0.835 -3.654 -0.650 1.00 10.38 H new ATOM 0 HA ALA A 104 1.459 -2.106 -1.475 1.00 10.01 H new ATOM 0 HB1 ALA A 104 2.660 -2.349 0.672 1.00 9.89 H new ATOM 0 HB2 ALA A 104 1.240 -1.287 0.817 1.00 9.89 H new ATOM 0 HB3 ALA A 104 1.168 -2.957 1.427 1.00 9.89 H new ATOM 1602 N ALA A 105 2.702 -4.241 -1.734 1.00 10.39 N ATOM 1603 CA ALA A 105 3.364 -5.493 -2.062 1.00 10.98 C ATOM 1604 C ALA A 105 4.831 -5.219 -2.333 1.00 10.79 C ATOM 1605 O ALA A 105 5.208 -4.069 -2.514 1.00 10.39 O ATOM 1606 CB ALA A 105 2.723 -6.132 -3.281 1.00 11.52 C ATOM 0 H ALA A 105 3.163 -3.416 -2.118 1.00 10.39 H new ATOM 0 HA ALA A 105 3.265 -6.182 -1.223 1.00 10.98 H new ATOM 0 HB1 ALA A 105 3.232 -7.068 -3.511 1.00 11.52 H new ATOM 0 HB2 ALA A 105 1.671 -6.332 -3.076 1.00 11.52 H new ATOM 0 HB3 ALA A 105 2.805 -5.456 -4.132 1.00 11.52 H new ATOM 1612 N VAL A 106 5.660 -6.249 -2.361 1.00 11.23 N ATOM 1613 CA VAL A 106 7.065 -6.053 -2.690 1.00 11.21 C ATOM 1614 C VAL A 106 7.358 -6.432 -4.132 1.00 11.93 C ATOM 1615 O VAL A 106 6.549 -7.076 -4.803 1.00 12.59 O ATOM 1616 CB VAL A 106 8.000 -6.855 -1.760 1.00 11.39 C ATOM 1617 CG1 VAL A 106 8.034 -6.227 -0.375 1.00 10.93 C ATOM 1618 CG2 VAL A 106 7.574 -8.314 -1.687 1.00 11.99 C ATOM 0 H VAL A 106 5.393 -7.214 -2.164 1.00 11.23 H new ATOM 0 HA VAL A 106 7.260 -4.990 -2.548 1.00 11.21 H new ATOM 0 HB VAL A 106 9.007 -6.824 -2.175 1.00 11.39 H new ATOM 0 HG11 VAL A 106 8.697 -6.803 0.270 1.00 10.93 H new ATOM 0 HG12 VAL A 106 8.400 -5.203 -0.449 1.00 10.93 H new ATOM 0 HG13 VAL A 106 7.029 -6.224 0.048 1.00 10.93 H new ATOM 0 HG21 VAL A 106 8.249 -8.857 -1.026 1.00 11.99 H new ATOM 0 HG22 VAL A 106 6.557 -8.377 -1.300 1.00 11.99 H new ATOM 0 HG23 VAL A 106 7.611 -8.754 -2.684 1.00 11.99 H new ATOM 1628 N ASP A 107 8.520 -6.009 -4.603 1.00 11.95 N ATOM 1629 CA ASP A 107 8.919 -6.212 -5.983 1.00 12.77 C ATOM 1630 C ASP A 107 10.364 -6.670 -6.035 1.00 13.21 C ATOM 1631 O ASP A 107 11.115 -6.487 -5.075 1.00 12.80 O ATOM 1632 CB ASP A 107 8.751 -4.916 -6.781 1.00 12.61 C ATOM 1633 CG ASP A 107 8.357 -5.166 -8.224 1.00 13.52 C ATOM 1634 OD1 ASP A 107 8.264 -6.344 -8.622 1.00 14.12 O ATOM 1635 OD2 ASP A 107 8.147 -4.182 -8.972 1.00 13.74 O ATOM 0 H ASP A 107 9.212 -5.516 -4.038 1.00 11.95 H new ATOM 0 HA ASP A 107 8.283 -6.978 -6.426 1.00 12.77 H new ATOM 0 HB2 ASP A 107 7.993 -4.296 -6.304 1.00 12.61 H new ATOM 0 HB3 ASP A 107 9.685 -4.354 -6.755 1.00 12.61 H new ATOM 1640 N TYR A 108 10.761 -7.255 -7.148 1.00 14.11 N ATOM 1641 CA TYR A 108 12.103 -7.795 -7.280 1.00 14.67 C ATOM 1642 C TYR A 108 12.630 -7.583 -8.687 1.00 15.44 C ATOM 1643 O TYR A 108 11.917 -7.099 -9.565 1.00 15.72 O ATOM 1644 CB TYR A 108 12.127 -9.284 -6.925 1.00 15.38 C ATOM 1645 CG TYR A 108 12.192 -9.550 -5.438 1.00 14.91 C ATOM 1646 CD1 TYR A 108 13.389 -9.438 -4.740 1.00 14.54 C ATOM 1647 CD2 TYR A 108 11.049 -9.910 -4.730 1.00 15.00 C ATOM 1648 CE1 TYR A 108 13.445 -9.678 -3.380 1.00 14.26 C ATOM 1649 CE2 TYR A 108 11.099 -10.150 -3.371 1.00 14.74 C ATOM 1650 CZ TYR A 108 12.298 -10.033 -2.702 1.00 14.37 C ATOM 1651 OH TYR A 108 12.352 -10.276 -1.348 1.00 14.27 O ATOM 0 H TYR A 108 10.175 -7.369 -7.975 1.00 14.11 H new ATOM 0 HA TYR A 108 12.750 -7.263 -6.583 1.00 14.67 H new ATOM 0 HB2 TYR A 108 11.235 -9.761 -7.332 1.00 15.38 H new ATOM 0 HB3 TYR A 108 12.986 -9.750 -7.407 1.00 15.38 H new ATOM 0 HD1 TYR A 108 14.289 -9.159 -5.268 1.00 14.54 H new ATOM 0 HD2 TYR A 108 10.108 -10.003 -5.252 1.00 15.00 H new ATOM 0 HE1 TYR A 108 14.382 -9.588 -2.851 1.00 14.26 H new ATOM 0 HE2 TYR A 108 10.203 -10.428 -2.835 1.00 14.74 H new ATOM 0 HH TYR A 108 11.459 -10.513 -1.022 1.00 14.27 H new ATOM 1661 N ASP A 109 13.882 -7.956 -8.898 1.00 15.88 N ATOM 1662 CA ASP A 109 14.511 -7.815 -10.199 1.00 16.70 C ATOM 1663 C ASP A 109 14.294 -9.090 -10.993 1.00 17.75 C ATOM 1664 O ASP A 109 14.041 -10.146 -10.413 1.00 17.90 O ATOM 1665 CB ASP A 109 16.009 -7.534 -10.040 1.00 16.70 C ATOM 1666 CG ASP A 109 16.713 -7.309 -11.364 1.00 17.47 C ATOM 1667 OD1 ASP A 109 17.140 -8.300 -11.989 1.00 18.07 O ATOM 1668 OD2 ASP A 109 16.839 -6.142 -11.785 1.00 17.54 O ATOM 0 H ASP A 109 14.484 -8.360 -8.181 1.00 15.88 H new ATOM 0 HA ASP A 109 14.064 -6.975 -10.730 1.00 16.70 H new ATOM 0 HB2 ASP A 109 16.143 -6.655 -9.409 1.00 16.70 H new ATOM 0 HB3 ASP A 109 16.477 -8.372 -9.523 1.00 16.70 H new ATOM 1673 N ARG A 110 14.402 -8.993 -12.307 1.00 18.56 N ATOM 1674 CA ARG A 110 14.164 -10.128 -13.182 1.00 19.67 C ATOM 1675 C ARG A 110 15.177 -11.243 -12.925 1.00 20.06 C ATOM 1676 O ARG A 110 14.835 -12.423 -12.982 1.00 20.72 O ATOM 1677 CB ARG A 110 14.228 -9.687 -14.641 1.00 20.52 C ATOM 1678 CG ARG A 110 12.871 -9.341 -15.235 1.00 20.56 C ATOM 1679 CD ARG A 110 12.246 -10.532 -15.949 1.00 20.89 C ATOM 1680 NE ARG A 110 13.241 -11.527 -16.356 1.00 21.05 N ATOM 1681 CZ ARG A 110 13.046 -12.842 -16.298 1.00 21.24 C ATOM 1682 NH1 ARG A 110 11.882 -13.326 -15.876 1.00 21.27 N ATOM 1683 NH2 ARG A 110 14.011 -13.675 -16.673 1.00 21.49 N ATOM 0 H ARG A 110 14.655 -8.133 -12.794 1.00 18.56 H new ATOM 0 HA ARG A 110 13.169 -10.518 -12.969 1.00 19.67 H new ATOM 0 HB2 ARG A 110 14.882 -8.818 -14.721 1.00 20.52 H new ATOM 0 HB3 ARG A 110 14.681 -10.482 -15.232 1.00 20.52 H new ATOM 0 HG2 ARG A 110 12.204 -9.001 -14.443 1.00 20.56 H new ATOM 0 HG3 ARG A 110 12.981 -8.514 -15.936 1.00 20.56 H new ATOM 0 HD2 ARG A 110 11.514 -11.002 -15.292 1.00 20.89 H new ATOM 0 HD3 ARG A 110 11.706 -10.182 -16.829 1.00 20.89 H new ATOM 0 HE ARG A 110 14.139 -11.191 -16.705 1.00 21.05 H new ATOM 0 HH11 ARG A 110 11.136 -12.689 -15.596 1.00 21.27 H new ATOM 0 HH12 ARG A 110 11.735 -14.334 -15.832 1.00 21.27 H new ATOM 0 HH21 ARG A 110 14.902 -13.307 -17.006 1.00 21.49 H new ATOM 0 HH22 ARG A 110 13.861 -14.683 -16.628 1.00 21.49 H new ATOM 1697 N SER A 111 16.424 -10.868 -12.644 1.00 19.71 N ATOM 1698 CA SER A 111 17.470 -11.854 -12.387 1.00 20.09 C ATOM 1699 C SER A 111 18.207 -11.558 -11.077 1.00 19.34 C ATOM 1700 O SER A 111 18.619 -12.471 -10.363 1.00 19.58 O ATOM 1701 CB SER A 111 18.458 -11.879 -13.553 1.00 20.36 C ATOM 1702 OG SER A 111 17.913 -11.231 -14.692 1.00 20.33 O ATOM 0 H SER A 111 16.732 -9.897 -12.589 1.00 19.71 H new ATOM 0 HA SER A 111 16.998 -12.832 -12.291 1.00 20.09 H new ATOM 0 HB2 SER A 111 19.386 -11.388 -13.259 1.00 20.36 H new ATOM 0 HB3 SER A 111 18.708 -12.911 -13.801 1.00 20.36 H new ATOM 0 HG SER A 111 18.563 -11.257 -15.425 1.00 20.33 H new ATOM 1708 N GLY A 112 18.349 -10.275 -10.764 1.00 18.52 N ATOM 1709 CA GLY A 112 19.143 -9.860 -9.621 1.00 17.87 C ATOM 1710 C GLY A 112 18.486 -10.172 -8.292 1.00 17.53 C ATOM 1711 O GLY A 112 19.152 -10.656 -7.376 1.00 17.59 O ATOM 0 H GLY A 112 17.925 -9.508 -11.286 1.00 18.52 H new ATOM 0 HA2 GLY A 112 20.114 -10.353 -9.663 1.00 17.87 H new ATOM 0 HA3 GLY A 112 19.327 -8.788 -9.685 1.00 17.87 H new ATOM 1715 N ARG A 113 17.180 -9.901 -8.207 1.00 17.30 N ATOM 1716 CA ARG A 113 16.384 -10.084 -6.981 1.00 17.14 C ATOM 1717 C ARG A 113 17.158 -9.692 -5.716 1.00 16.20 C ATOM 1718 O ARG A 113 17.352 -10.498 -4.808 1.00 16.37 O ATOM 1719 CB ARG A 113 15.855 -11.523 -6.874 1.00 17.48 C ATOM 1720 CG ARG A 113 16.937 -12.590 -6.844 1.00 18.02 C ATOM 1721 CD ARG A 113 16.502 -13.806 -6.048 1.00 18.53 C ATOM 1722 NE ARG A 113 16.147 -14.921 -6.921 1.00 18.76 N ATOM 1723 CZ ARG A 113 16.907 -16.000 -7.098 1.00 19.39 C ATOM 1724 NH1 ARG A 113 18.045 -16.129 -6.430 1.00 19.85 N ATOM 1725 NH2 ARG A 113 16.516 -16.959 -7.929 1.00 19.68 N ATOM 0 H ARG A 113 16.637 -9.545 -8.993 1.00 17.30 H new ATOM 0 HA ARG A 113 15.533 -9.408 -7.056 1.00 17.14 H new ATOM 0 HB2 ARG A 113 15.252 -11.609 -5.970 1.00 17.48 H new ATOM 0 HB3 ARG A 113 15.193 -11.718 -7.718 1.00 17.48 H new ATOM 0 HG2 ARG A 113 17.181 -12.890 -7.863 1.00 18.02 H new ATOM 0 HG3 ARG A 113 17.846 -12.175 -6.408 1.00 18.02 H new ATOM 0 HD2 ARG A 113 17.306 -14.110 -5.378 1.00 18.53 H new ATOM 0 HD3 ARG A 113 15.648 -13.546 -5.423 1.00 18.53 H new ATOM 0 HE ARG A 113 15.262 -14.870 -7.426 1.00 18.76 H new ATOM 0 HH11 ARG A 113 18.340 -15.401 -5.779 1.00 19.85 H new ATOM 0 HH12 ARG A 113 18.626 -16.956 -6.567 1.00 19.85 H new ATOM 0 HH21 ARG A 113 15.633 -16.869 -8.432 1.00 19.68 H new ATOM 0 HH22 ARG A 113 17.098 -17.785 -8.064 1.00 19.68 H new ATOM 1739 N SER A 114 17.561 -8.436 -5.655 1.00 15.31 N ATOM 1740 CA SER A 114 18.343 -7.932 -4.530 1.00 14.46 C ATOM 1741 C SER A 114 18.299 -6.408 -4.484 1.00 13.60 C ATOM 1742 O SER A 114 19.331 -5.742 -4.517 1.00 13.37 O ATOM 1743 CB SER A 114 19.796 -8.418 -4.621 1.00 14.66 C ATOM 1744 OG SER A 114 20.182 -8.634 -5.971 1.00 15.43 O ATOM 0 H SER A 114 17.361 -7.740 -6.373 1.00 15.31 H new ATOM 0 HA SER A 114 17.904 -8.320 -3.611 1.00 14.46 H new ATOM 0 HB2 SER A 114 20.458 -7.682 -4.164 1.00 14.66 H new ATOM 0 HB3 SER A 114 19.909 -9.343 -4.055 1.00 14.66 H new ATOM 0 HG SER A 114 19.963 -9.553 -6.231 1.00 15.43 H new ATOM 1750 N LEU A 115 17.095 -5.860 -4.418 1.00 13.29 N ATOM 1751 CA LEU A 115 16.920 -4.411 -4.436 1.00 12.67 C ATOM 1752 C LEU A 115 16.077 -3.931 -3.255 1.00 11.82 C ATOM 1753 O LEU A 115 16.052 -2.740 -2.949 1.00 11.50 O ATOM 1754 CB LEU A 115 16.269 -3.961 -5.750 1.00 13.13 C ATOM 1755 CG LEU A 115 15.838 -5.081 -6.706 1.00 13.71 C ATOM 1756 CD1 LEU A 115 14.575 -5.767 -6.206 1.00 13.79 C ATOM 1757 CD2 LEU A 115 15.620 -4.524 -8.103 1.00 14.34 C ATOM 0 H LEU A 115 16.227 -6.392 -4.352 1.00 13.29 H new ATOM 0 HA LEU A 115 17.911 -3.965 -4.353 1.00 12.67 H new ATOM 0 HB2 LEU A 115 15.393 -3.358 -5.510 1.00 13.13 H new ATOM 0 HB3 LEU A 115 16.969 -3.312 -6.275 1.00 13.13 H new ATOM 0 HG LEU A 115 16.635 -5.824 -6.743 1.00 13.71 H new ATOM 0 HD11 LEU A 115 14.290 -6.557 -6.901 1.00 13.79 H new ATOM 0 HD12 LEU A 115 14.760 -6.199 -5.222 1.00 13.79 H new ATOM 0 HD13 LEU A 115 13.768 -5.037 -6.136 1.00 13.79 H new ATOM 0 HD21 LEU A 115 15.315 -5.329 -8.772 1.00 14.34 H new ATOM 0 HD22 LEU A 115 14.842 -3.762 -8.073 1.00 14.34 H new ATOM 0 HD23 LEU A 115 16.547 -4.082 -8.467 1.00 14.34 H new ATOM 1769 N GLY A 116 15.393 -4.859 -2.593 1.00 11.63 N ATOM 1770 CA GLY A 116 14.534 -4.490 -1.479 1.00 10.96 C ATOM 1771 C GLY A 116 13.360 -3.625 -1.894 1.00 10.62 C ATOM 1772 O GLY A 116 12.926 -2.767 -1.129 1.00 10.23 O ATOM 0 H GLY A 116 15.417 -5.856 -2.806 1.00 11.63 H new ATOM 0 HA2 GLY A 116 14.160 -5.395 -1.001 1.00 10.96 H new ATOM 0 HA3 GLY A 116 15.125 -3.957 -0.734 1.00 10.96 H new ATOM 1776 N THR A 117 12.870 -3.832 -3.104 1.00 10.92 N ATOM 1777 CA THR A 117 11.809 -2.999 -3.644 1.00 10.75 C ATOM 1778 C THR A 117 10.420 -3.452 -3.197 1.00 10.46 C ATOM 1779 O THR A 117 10.178 -4.637 -2.967 1.00 10.80 O ATOM 1780 CB THR A 117 11.864 -2.965 -5.180 1.00 11.45 C ATOM 1781 OG1 THR A 117 13.223 -3.087 -5.612 1.00 12.11 O ATOM 1782 CG2 THR A 117 11.278 -1.670 -5.720 1.00 11.71 C ATOM 0 H THR A 117 13.190 -4.570 -3.731 1.00 10.92 H new ATOM 0 HA THR A 117 11.978 -1.998 -3.248 1.00 10.75 H new ATOM 0 HB THR A 117 11.273 -3.797 -5.563 1.00 11.45 H new ATOM 0 HG1 THR A 117 13.670 -2.218 -5.536 1.00 12.11 H new ATOM 0 HG21 THR A 117 11.330 -1.673 -6.809 1.00 11.71 H new ATOM 0 HG22 THR A 117 10.238 -1.583 -5.407 1.00 11.71 H new ATOM 0 HG23 THR A 117 11.846 -0.824 -5.332 1.00 11.71 H new ATOM 1790 N ALA A 118 9.526 -2.482 -3.062 1.00 9.99 N ATOM 1791 CA ALA A 118 8.118 -2.739 -2.813 1.00 9.78 C ATOM 1792 C ALA A 118 7.279 -1.630 -3.425 1.00 9.60 C ATOM 1793 O ALA A 118 7.719 -0.479 -3.497 1.00 9.55 O ATOM 1794 CB ALA A 118 7.822 -2.849 -1.322 1.00 9.47 C ATOM 0 H ALA A 118 9.760 -1.491 -3.123 1.00 9.99 H new ATOM 0 HA ALA A 118 7.863 -3.693 -3.275 1.00 9.78 H new ATOM 0 HB1 ALA A 118 6.759 -3.041 -1.175 1.00 9.47 H new ATOM 0 HB2 ALA A 118 8.401 -3.668 -0.896 1.00 9.47 H new ATOM 0 HB3 ALA A 118 8.094 -1.916 -0.827 1.00 9.47 H new ATOM 1800 N ASP A 119 6.089 -1.986 -3.868 1.00 9.67 N ATOM 1801 CA ASP A 119 5.148 -1.026 -4.416 1.00 9.53 C ATOM 1802 C ASP A 119 3.928 -0.948 -3.518 1.00 9.23 C ATOM 1803 O ASP A 119 3.161 -1.911 -3.404 1.00 9.46 O ATOM 1804 CB ASP A 119 4.722 -1.418 -5.837 1.00 10.06 C ATOM 1805 CG ASP A 119 3.371 -0.833 -6.228 1.00 10.01 C ATOM 1806 OD1 ASP A 119 3.181 0.390 -6.094 1.00 9.84 O ATOM 1807 OD2 ASP A 119 2.491 -1.597 -6.682 1.00 10.21 O ATOM 0 H ASP A 119 5.747 -2.947 -3.859 1.00 9.67 H new ATOM 0 HA ASP A 119 5.636 -0.053 -4.465 1.00 9.53 H new ATOM 0 HB2 ASP A 119 5.478 -1.080 -6.545 1.00 10.06 H new ATOM 0 HB3 ASP A 119 4.678 -2.505 -5.912 1.00 10.06 H new ATOM 1812 N VAL A 120 3.762 0.178 -2.852 1.00 8.97 N ATOM 1813 CA VAL A 120 2.582 0.393 -2.051 1.00 8.93 C ATOM 1814 C VAL A 120 1.745 1.491 -2.692 1.00 8.97 C ATOM 1815 O VAL A 120 2.275 2.446 -3.258 1.00 9.03 O ATOM 1816 CB VAL A 120 2.925 0.729 -0.580 1.00 9.02 C ATOM 1817 CG1 VAL A 120 4.101 -0.107 -0.090 1.00 9.07 C ATOM 1818 CG2 VAL A 120 3.225 2.200 -0.415 1.00 9.06 C ATOM 0 H VAL A 120 4.427 0.951 -2.852 1.00 8.97 H new ATOM 0 HA VAL A 120 2.007 -0.533 -2.021 1.00 8.93 H new ATOM 0 HB VAL A 120 2.052 0.486 0.026 1.00 9.02 H new ATOM 0 HG11 VAL A 120 4.322 0.148 0.946 1.00 9.07 H new ATOM 0 HG12 VAL A 120 3.848 -1.165 -0.157 1.00 9.07 H new ATOM 0 HG13 VAL A 120 4.975 0.097 -0.708 1.00 9.07 H new ATOM 0 HG21 VAL A 120 3.463 2.408 0.628 1.00 9.06 H new ATOM 0 HG22 VAL A 120 4.075 2.471 -1.042 1.00 9.06 H new ATOM 0 HG23 VAL A 120 2.354 2.784 -0.712 1.00 9.06 H new ATOM 1828 N HIS A 121 0.443 1.329 -2.647 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.458 2.225 -3.333 1.00 9.24 C ATOM 1830 C HIS A 121 -1.486 2.784 -2.369 1.00 9.55 C ATOM 1831 O HIS A 121 -2.225 2.022 -1.751 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.180 1.454 -4.433 1.00 9.38 C ATOM 1833 CG HIS A 121 -0.617 1.660 -5.803 1.00 9.45 C ATOM 1834 ND1 HIS A 121 0.385 0.885 -6.340 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -0.965 2.536 -6.769 1.00 9.62 C ATOM 1836 CE1 HIS A 121 0.620 1.270 -7.577 1.00 9.94 C ATOM 1837 NE2 HIS A 121 -0.189 2.272 -7.871 1.00 9.93 N ATOM 0 H HIS A 121 -0.019 0.577 -2.137 1.00 9.13 H new ATOM 0 HA HIS A 121 0.116 3.049 -3.757 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -1.147 0.391 -4.196 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.230 1.748 -4.437 1.00 9.38 H new ATOM 0 HD1 HIS A 121 0.870 0.130 -5.855 1.00 9.62 H new ATOM 0 HD2 HIS A 121 -1.718 3.306 -6.690 1.00 9.62 H new ATOM 0 HE1 HIS A 121 1.353 0.838 -8.242 1.00 9.94 H new ATOM 1846 N PHE A 122 -1.525 4.094 -2.215 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.574 4.720 -1.424 1.00 10.32 C ATOM 1848 C PHE A 122 -3.605 5.371 -2.335 1.00 10.49 C ATOM 1849 O PHE A 122 -3.326 5.657 -3.504 1.00 10.27 O ATOM 1850 CB PHE A 122 -2.010 5.768 -0.456 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.517 5.733 -0.294 1.00 10.49 C ATOM 1852 CD1 PHE A 122 0.303 6.409 -1.179 1.00 10.41 C ATOM 1853 CD2 PHE A 122 0.062 5.035 0.752 1.00 10.52 C ATOM 1854 CE1 PHE A 122 1.672 6.386 -1.027 1.00 10.34 C ATOM 1855 CE2 PHE A 122 1.430 5.011 0.910 1.00 10.36 C ATOM 1856 CZ PHE A 122 2.236 5.688 0.018 1.00 10.28 C ATOM 0 H PHE A 122 -0.851 4.742 -2.622 1.00 9.77 H new ATOM 0 HA PHE A 122 -3.048 3.935 -0.835 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -2.301 6.759 -0.805 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.471 5.626 0.521 1.00 10.72 H new ATOM 0 HD1 PHE A 122 -0.134 6.961 -1.998 1.00 10.41 H new ATOM 0 HD2 PHE A 122 -0.566 4.503 1.452 1.00 10.52 H new ATOM 0 HE1 PHE A 122 2.302 6.915 -1.727 1.00 10.34 H new ATOM 0 HE2 PHE A 122 1.871 4.464 1.730 1.00 10.36 H new ATOM 0 HZ PHE A 122 3.309 5.671 0.139 1.00 10.28 H new ATOM 1866 N GLU A 123 -4.799 5.578 -1.797 1.00 11.02 N ATOM 1867 CA GLU A 123 -5.882 6.218 -2.532 1.00 11.27 C ATOM 1868 C GLU A 123 -5.715 7.736 -2.550 1.00 11.67 C ATOM 1869 O GLU A 123 -6.406 8.437 -3.288 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.223 5.858 -1.898 1.00 11.83 C ATOM 1871 CG GLU A 123 -8.231 5.302 -2.886 1.00 11.97 C ATOM 1872 CD GLU A 123 -9.404 4.638 -2.200 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -9.869 5.161 -1.172 1.00 12.67 O ATOM 1874 OE2 GLU A 123 -9.866 3.590 -2.696 1.00 12.45 O ATOM 0 H GLU A 123 -5.044 5.309 -0.844 1.00 11.02 H new ATOM 0 HA GLU A 123 -5.853 5.857 -3.560 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.057 5.125 -1.109 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -7.642 6.746 -1.425 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -8.595 6.109 -3.523 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -7.738 4.580 -3.537 1.00 11.97 H new ATOM 1881 N ARG A 124 -4.810 8.235 -1.722 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.603 9.669 -1.588 1.00 12.58 C ATOM 1883 C ARG A 124 -3.284 10.086 -2.210 1.00 12.40 C ATOM 1884 O ARG A 124 -2.254 9.459 -1.966 1.00 12.05 O ATOM 1885 CB ARG A 124 -4.605 10.081 -0.115 1.00 13.34 C ATOM 1886 CG ARG A 124 -4.924 8.948 0.848 1.00 13.64 C ATOM 1887 CD ARG A 124 -6.016 9.340 1.825 1.00 14.19 C ATOM 1888 NE ARG A 124 -7.348 9.155 1.257 1.00 14.36 N ATOM 1889 CZ ARG A 124 -8.118 10.152 0.822 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -7.696 11.409 0.904 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -9.314 9.891 0.313 1.00 15.04 N ATOM 0 H ARG A 124 -4.205 7.665 -1.130 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.422 10.167 -2.108 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -3.628 10.493 0.137 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -5.334 10.879 0.027 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -5.236 8.068 0.286 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -4.024 8.672 1.398 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -5.922 8.743 2.732 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -5.887 10.383 2.115 1.00 14.19 H new ATOM 0 HE ARG A 124 -7.712 8.204 1.189 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -6.779 11.614 1.301 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -8.289 12.169 0.570 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -9.644 8.928 0.255 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -9.904 10.653 -0.020 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.308 11.152 -2.995 1.00 12.78 N ATOM 1906 CA ARG A 125 -2.090 11.680 -3.591 1.00 12.90 C ATOM 1907 C ARG A 125 -1.273 12.430 -2.547 1.00 13.56 C ATOM 1908 O ARG A 125 -0.046 12.444 -2.599 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.419 12.608 -4.765 1.00 13.36 C ATOM 1910 CG ARG A 125 -3.480 12.061 -5.705 1.00 13.29 C ATOM 1911 CD ARG A 125 -4.579 13.082 -5.952 1.00 13.69 C ATOM 1912 NE ARG A 125 -5.636 12.559 -6.814 1.00 14.28 N ATOM 1913 CZ ARG A 125 -6.938 12.713 -6.577 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -7.355 13.398 -5.520 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -7.828 12.188 -7.407 1.00 15.26 N ATOM 0 H ARG A 125 -4.155 11.668 -3.234 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.503 10.842 -3.966 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -2.755 13.568 -4.373 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -1.508 12.797 -5.332 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -3.020 11.782 -6.653 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -3.912 11.154 -5.281 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -5.009 13.388 -4.998 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -4.148 13.973 -6.408 1.00 13.69 H new ATOM 0 HE ARG A 125 -5.360 12.044 -7.650 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -6.677 13.812 -4.881 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -8.354 13.511 -5.347 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -7.516 11.667 -8.226 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -8.825 12.305 -7.226 1.00 15.26 H new ATOM 1929 N ALA A 126 -1.960 13.049 -1.590 1.00 14.24 N ATOM 1930 CA ALA A 126 -1.288 13.779 -0.518 1.00 15.01 C ATOM 1931 C ALA A 126 -0.527 12.826 0.396 1.00 14.54 C ATOM 1932 O ALA A 126 0.501 13.189 0.965 1.00 14.95 O ATOM 1933 CB ALA A 126 -2.284 14.596 0.283 1.00 15.90 C ATOM 0 H ALA A 126 -2.978 13.060 -1.535 1.00 14.24 H new ATOM 0 HA ALA A 126 -0.571 14.460 -0.976 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -1.761 15.131 1.076 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -2.779 15.312 -0.373 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -3.029 13.933 0.723 1.00 15.90 H new ATOM 1939 N ASP A 127 -1.043 11.611 0.538 1.00 13.75 N ATOM 1940 CA ASP A 127 -0.336 10.567 1.279 1.00 13.28 C ATOM 1941 C ASP A 127 1.022 10.306 0.638 1.00 12.77 C ATOM 1942 O ASP A 127 2.022 10.079 1.324 1.00 12.74 O ATOM 1943 CB ASP A 127 -1.158 9.275 1.321 1.00 12.65 C ATOM 1944 CG ASP A 127 -1.447 8.820 2.740 1.00 13.12 C ATOM 1945 OD1 ASP A 127 -0.524 8.855 3.583 1.00 13.24 O ATOM 1946 OD2 ASP A 127 -2.590 8.404 3.017 1.00 13.51 O ATOM 0 H ASP A 127 -1.943 11.323 0.153 1.00 13.75 H new ATOM 0 HA ASP A 127 -0.189 10.909 2.303 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -2.099 9.429 0.793 1.00 12.65 H new ATOM 0 HB3 ASP A 127 -0.620 8.488 0.792 1.00 12.65 H new ATOM 1951 N ALA A 128 1.060 10.414 -0.687 1.00 12.51 N ATOM 1952 CA ALA A 128 2.293 10.230 -1.432 1.00 12.26 C ATOM 1953 C ALA A 128 3.115 11.509 -1.365 1.00 13.19 C ATOM 1954 O ALA A 128 4.341 11.477 -1.332 1.00 13.28 O ATOM 1955 CB ALA A 128 1.998 9.856 -2.880 1.00 11.90 C ATOM 0 H ALA A 128 0.247 10.629 -1.264 1.00 12.51 H new ATOM 0 HA ALA A 128 2.862 9.413 -0.987 1.00 12.26 H new ATOM 0 HB1 ALA A 128 2.936 9.723 -3.420 1.00 11.90 H new ATOM 0 HB2 ALA A 128 1.429 8.927 -2.907 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.418 10.650 -3.350 1.00 11.90 H new ATOM 1961 N LEU A 129 2.410 12.632 -1.332 1.00 13.95 N ATOM 1962 CA LEU A 129 3.032 13.943 -1.204 1.00 15.01 C ATOM 1963 C LEU A 129 3.819 14.037 0.101 1.00 15.35 C ATOM 1964 O LEU A 129 4.972 14.463 0.111 1.00 15.80 O ATOM 1965 CB LEU A 129 1.962 15.039 -1.261 1.00 15.79 C ATOM 1966 CG LEU A 129 2.462 16.462 -1.008 1.00 17.00 C ATOM 1967 CD1 LEU A 129 2.090 17.368 -2.170 1.00 17.52 C ATOM 1968 CD2 LEU A 129 1.897 17.003 0.296 1.00 17.74 C ATOM 0 H LEU A 129 1.392 12.660 -1.393 1.00 13.95 H new ATOM 0 HA LEU A 129 3.725 14.083 -2.034 1.00 15.01 H new ATOM 0 HB2 LEU A 129 1.488 15.008 -2.242 1.00 15.79 H new ATOM 0 HB3 LEU A 129 1.191 14.808 -0.526 1.00 15.79 H new ATOM 0 HG LEU A 129 3.549 16.437 -0.924 1.00 17.00 H new ATOM 0 HD11 LEU A 129 2.453 18.377 -1.975 1.00 17.52 H new ATOM 0 HD12 LEU A 129 2.544 16.990 -3.086 1.00 17.52 H new ATOM 0 HD13 LEU A 129 1.006 17.388 -2.284 1.00 17.52 H new ATOM 0 HD21 LEU A 129 2.264 18.016 0.459 1.00 17.74 H new ATOM 0 HD22 LEU A 129 0.808 17.015 0.243 1.00 17.74 H new ATOM 0 HD23 LEU A 129 2.213 16.366 1.122 1.00 17.74 H new ATOM 1980 N LYS A 130 3.198 13.617 1.198 1.00 15.21 N ATOM 1981 CA LYS A 130 3.857 13.622 2.497 1.00 15.60 C ATOM 1982 C LYS A 130 5.022 12.644 2.497 1.00 14.90 C ATOM 1983 O LYS A 130 6.098 12.939 3.007 1.00 15.34 O ATOM 1984 CB LYS A 130 2.867 13.246 3.604 1.00 15.68 C ATOM 1985 CG LYS A 130 3.536 12.694 4.859 1.00 15.55 C ATOM 1986 CD LYS A 130 2.631 11.719 5.597 1.00 15.23 C ATOM 1987 CE LYS A 130 2.458 10.418 4.828 1.00 15.09 C ATOM 1988 NZ LYS A 130 1.271 9.659 5.294 1.00 15.23 N ATOM 0 H LYS A 130 2.239 13.269 1.213 1.00 15.21 H new ATOM 0 HA LYS A 130 4.232 14.627 2.688 1.00 15.60 H new ATOM 0 HB2 LYS A 130 2.282 14.126 3.871 1.00 15.68 H new ATOM 0 HB3 LYS A 130 2.168 12.504 3.218 1.00 15.68 H new ATOM 0 HG2 LYS A 130 4.465 12.193 4.586 1.00 15.55 H new ATOM 0 HG3 LYS A 130 3.801 13.517 5.522 1.00 15.55 H new ATOM 0 HD2 LYS A 130 3.050 11.507 6.581 1.00 15.23 H new ATOM 0 HD3 LYS A 130 1.656 12.179 5.758 1.00 15.23 H new ATOM 0 HE2 LYS A 130 2.357 10.634 3.764 1.00 15.09 H new ATOM 0 HE3 LYS A 130 3.351 9.804 4.945 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 1.539 8.670 5.471 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 0.911 10.083 6.173 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 0.530 9.692 4.565 1.00 15.23 H new ATOM 2002 N ALA A 131 4.791 11.485 1.907 1.00 13.87 N ATOM 2003 CA ALA A 131 5.795 10.439 1.871 1.00 13.19 C ATOM 2004 C ALA A 131 6.999 10.855 1.027 1.00 13.49 C ATOM 2005 O ALA A 131 8.138 10.530 1.360 1.00 13.49 O ATOM 2006 CB ALA A 131 5.193 9.140 1.368 1.00 12.14 C ATOM 0 H ALA A 131 3.914 11.245 1.445 1.00 13.87 H new ATOM 0 HA ALA A 131 6.151 10.276 2.888 1.00 13.19 H new ATOM 0 HB1 ALA A 131 5.961 8.367 1.348 1.00 12.14 H new ATOM 0 HB2 ALA A 131 4.385 8.832 2.032 1.00 12.14 H new ATOM 0 HB3 ALA A 131 4.799 9.287 0.362 1.00 12.14 H new ATOM 2012 N MET A 132 6.749 11.598 -0.046 1.00 13.87 N ATOM 2013 CA MET A 132 7.822 12.070 -0.917 1.00 14.40 C ATOM 2014 C MET A 132 8.495 13.306 -0.324 1.00 15.49 C ATOM 2015 O MET A 132 9.597 13.677 -0.717 1.00 16.00 O ATOM 2016 CB MET A 132 7.289 12.374 -2.324 1.00 14.59 C ATOM 2017 CG MET A 132 6.695 13.769 -2.475 1.00 15.65 C ATOM 2018 SD MET A 132 6.299 14.180 -4.184 1.00 16.00 S ATOM 2019 CE MET A 132 4.921 13.075 -4.489 1.00 15.55 C ATOM 0 H MET A 132 5.814 11.887 -0.334 1.00 13.87 H new ATOM 0 HA MET A 132 8.565 11.277 -0.996 1.00 14.40 H new ATOM 0 HB2 MET A 132 8.101 12.257 -3.042 1.00 14.59 H new ATOM 0 HB3 MET A 132 6.528 11.637 -2.580 1.00 14.59 H new ATOM 0 HG2 MET A 132 5.791 13.841 -1.870 1.00 15.65 H new ATOM 0 HG3 MET A 132 7.400 14.503 -2.084 1.00 15.65 H new ATOM 0 HE1 MET A 132 5.124 12.477 -5.378 1.00 15.55 H new ATOM 0 HE2 MET A 132 4.786 12.416 -3.631 1.00 15.55 H new ATOM 0 HE3 MET A 132 4.014 13.659 -4.644 1.00 15.55 H new ATOM 2029 N LYS A 133 7.819 13.947 0.613 1.00 15.95 N ATOM 2030 CA LYS A 133 8.392 15.082 1.310 1.00 17.04 C ATOM 2031 C LYS A 133 9.229 14.599 2.485 1.00 16.95 C ATOM 2032 O LYS A 133 10.365 15.033 2.679 1.00 17.55 O ATOM 2033 CB LYS A 133 7.288 16.019 1.807 1.00 17.76 C ATOM 2034 CG LYS A 133 7.258 17.356 1.087 1.00 18.70 C ATOM 2035 CD LYS A 133 6.973 17.183 -0.397 1.00 18.27 C ATOM 2036 CE LYS A 133 5.669 17.853 -0.798 1.00 18.99 C ATOM 2037 NZ LYS A 133 5.770 19.336 -0.783 1.00 19.60 N ATOM 0 H LYS A 133 6.874 13.701 0.908 1.00 15.95 H new ATOM 0 HA LYS A 133 9.029 15.631 0.617 1.00 17.04 H new ATOM 0 HB2 LYS A 133 6.323 15.528 1.684 1.00 17.76 H new ATOM 0 HB3 LYS A 133 7.424 16.193 2.874 1.00 17.76 H new ATOM 0 HG2 LYS A 133 6.495 17.994 1.533 1.00 18.70 H new ATOM 0 HG3 LYS A 133 8.214 17.863 1.218 1.00 18.70 H new ATOM 0 HD2 LYS A 133 7.793 17.605 -0.977 1.00 18.27 H new ATOM 0 HD3 LYS A 133 6.926 16.121 -0.638 1.00 18.27 H new ATOM 0 HE2 LYS A 133 5.384 17.520 -1.796 1.00 18.99 H new ATOM 0 HE3 LYS A 133 4.877 17.538 -0.119 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 4.857 19.749 -1.063 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 6.016 19.658 0.175 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 6.507 19.641 -1.450 1.00 19.60 H new ATOM 2051 N GLN A 134 8.655 13.690 3.255 1.00 16.27 N ATOM 2052 CA GLN A 134 9.293 13.183 4.457 1.00 16.27 C ATOM 2053 C GLN A 134 10.343 12.123 4.146 1.00 15.45 C ATOM 2054 O GLN A 134 11.530 12.349 4.358 1.00 15.79 O ATOM 2055 CB GLN A 134 8.239 12.601 5.401 1.00 16.14 C ATOM 2056 CG GLN A 134 7.846 13.534 6.533 1.00 17.25 C ATOM 2057 CD GLN A 134 7.527 14.937 6.056 1.00 18.04 C ATOM 2058 OE1 GLN A 134 8.274 15.878 6.319 1.00 18.75 O ATOM 2059 NE2 GLN A 134 6.421 15.085 5.344 1.00 18.01 N ATOM 0 H GLN A 134 7.738 13.285 3.066 1.00 16.27 H new ATOM 0 HA GLN A 134 9.800 14.021 4.935 1.00 16.27 H new ATOM 0 HB2 GLN A 134 7.349 12.349 4.825 1.00 16.14 H new ATOM 0 HB3 GLN A 134 8.618 11.671 5.825 1.00 16.14 H new ATOM 0 HG2 GLN A 134 6.978 13.125 7.050 1.00 17.25 H new ATOM 0 HG3 GLN A 134 8.658 13.578 7.259 1.00 17.25 H new ATOM 0 HE21 GLN A 134 5.829 14.278 5.148 1.00 18.01 H new ATOM 0 HE22 GLN A 134 6.161 16.006 4.991 1.00 18.01 H new ATOM 2068 N TYR A 135 9.909 10.978 3.623 1.00 14.42 N ATOM 2069 CA TYR A 135 10.789 9.810 3.526 1.00 13.63 C ATOM 2070 C TYR A 135 11.662 9.827 2.270 1.00 13.70 C ATOM 2071 O TYR A 135 12.778 9.302 2.280 1.00 13.69 O ATOM 2072 CB TYR A 135 9.971 8.514 3.570 1.00 12.62 C ATOM 2073 CG TYR A 135 8.743 8.584 4.454 1.00 12.47 C ATOM 2074 CD1 TYR A 135 8.849 8.980 5.778 1.00 12.60 C ATOM 2075 CD2 TYR A 135 7.483 8.254 3.967 1.00 12.42 C ATOM 2076 CE1 TYR A 135 7.739 9.039 6.598 1.00 12.68 C ATOM 2077 CE2 TYR A 135 6.366 8.315 4.779 1.00 12.52 C ATOM 2078 CZ TYR A 135 6.476 8.722 6.058 1.00 12.67 C ATOM 2079 OH TYR A 135 5.396 8.759 6.912 1.00 12.97 O ATOM 0 H TYR A 135 8.966 10.832 3.263 1.00 14.42 H new ATOM 0 HA TYR A 135 11.456 9.854 4.387 1.00 13.63 H new ATOM 0 HB2 TYR A 135 9.661 8.259 2.557 1.00 12.62 H new ATOM 0 HB3 TYR A 135 10.612 7.705 3.921 1.00 12.62 H new ATOM 0 HD1 TYR A 135 9.817 9.247 6.176 1.00 12.60 H new ATOM 0 HD2 TYR A 135 7.375 7.945 2.938 1.00 12.42 H new ATOM 0 HE1 TYR A 135 7.837 9.323 7.635 1.00 12.68 H new ATOM 0 HE2 TYR A 135 5.400 8.035 4.386 1.00 12.52 H new ATOM 0 HH TYR A 135 5.326 7.905 7.388 1.00 12.97 H new ATOM 2089 N LYS A 136 11.163 10.412 1.190 1.00 13.88 N ATOM 2090 CA LYS A 136 11.912 10.435 -0.063 1.00 14.15 C ATOM 2091 C LYS A 136 13.199 11.235 0.085 1.00 15.09 C ATOM 2092 O LYS A 136 13.169 12.447 0.315 1.00 15.85 O ATOM 2093 CB LYS A 136 11.065 11.027 -1.192 1.00 14.36 C ATOM 2094 CG LYS A 136 11.856 11.309 -2.463 1.00 14.69 C ATOM 2095 CD LYS A 136 11.357 12.556 -3.170 1.00 15.46 C ATOM 2096 CE LYS A 136 12.505 13.354 -3.770 1.00 15.93 C ATOM 2097 NZ LYS A 136 12.848 12.891 -5.140 1.00 16.56 N ATOM 0 H LYS A 136 10.254 10.873 1.153 1.00 13.88 H new ATOM 0 HA LYS A 136 12.166 9.405 -0.313 1.00 14.15 H new ATOM 0 HB2 LYS A 136 10.252 10.339 -1.425 1.00 14.36 H new ATOM 0 HB3 LYS A 136 10.608 11.954 -0.845 1.00 14.36 H new ATOM 0 HG2 LYS A 136 12.911 11.428 -2.216 1.00 14.69 H new ATOM 0 HG3 LYS A 136 11.781 10.455 -3.136 1.00 14.69 H new ATOM 0 HD2 LYS A 136 10.658 12.274 -3.957 1.00 15.46 H new ATOM 0 HD3 LYS A 136 10.808 13.180 -2.465 1.00 15.46 H new ATOM 0 HE2 LYS A 136 12.236 14.410 -3.801 1.00 15.93 H new ATOM 0 HE3 LYS A 136 13.381 13.267 -3.128 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 13.635 13.461 -5.512 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 13.130 11.890 -5.108 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 12.020 12.997 -5.760 1.00 16.56 H new ATOM 2111 N GLY A 137 14.328 10.553 -0.033 1.00 15.10 N ATOM 2112 CA GLY A 137 15.604 11.231 -0.003 1.00 15.97 C ATOM 2113 C GLY A 137 16.214 11.229 1.380 1.00 15.85 C ATOM 2114 O GLY A 137 17.131 11.997 1.660 1.00 16.53 O ATOM 0 H GLY A 137 14.382 9.541 -0.149 1.00 15.10 H new ATOM 0 HA2 GLY A 137 16.288 10.748 -0.701 1.00 15.97 H new ATOM 0 HA3 GLY A 137 15.476 12.259 -0.341 1.00 15.97 H new ATOM 2118 N VAL A 138 15.690 10.373 2.249 1.00 15.06 N ATOM 2119 CA VAL A 138 16.194 10.258 3.611 1.00 15.00 C ATOM 2120 C VAL A 138 17.396 9.329 3.688 1.00 14.61 C ATOM 2121 O VAL A 138 17.324 8.150 3.326 1.00 13.92 O ATOM 2122 CB VAL A 138 15.090 9.765 4.578 1.00 14.53 C ATOM 2123 CG1 VAL A 138 15.682 9.155 5.843 1.00 14.37 C ATOM 2124 CG2 VAL A 138 14.159 10.906 4.938 1.00 14.92 C ATOM 0 H VAL A 138 14.914 9.747 2.033 1.00 15.06 H new ATOM 0 HA VAL A 138 16.509 11.256 3.916 1.00 15.00 H new ATOM 0 HB VAL A 138 14.525 8.987 4.064 1.00 14.53 H new ATOM 0 HG11 VAL A 138 14.877 8.821 6.497 1.00 14.37 H new ATOM 0 HG12 VAL A 138 16.310 8.305 5.577 1.00 14.37 H new ATOM 0 HG13 VAL A 138 16.283 9.903 6.361 1.00 14.37 H new ATOM 0 HG21 VAL A 138 13.388 10.545 5.618 1.00 14.92 H new ATOM 0 HG22 VAL A 138 14.727 11.700 5.422 1.00 14.92 H new ATOM 0 HG23 VAL A 138 13.692 11.294 4.033 1.00 14.92 H new ATOM 2134 N PRO A 139 18.538 9.884 4.103 1.00 15.15 N ATOM 2135 CA PRO A 139 19.661 9.113 4.573 1.00 14.91 C ATOM 2136 C PRO A 139 19.561 8.957 6.084 1.00 14.45 C ATOM 2137 O PRO A 139 18.902 9.764 6.753 1.00 14.71 O ATOM 2138 CB PRO A 139 20.852 9.983 4.182 1.00 15.76 C ATOM 2139 CG PRO A 139 20.341 11.389 4.242 1.00 16.48 C ATOM 2140 CD PRO A 139 18.834 11.327 4.126 1.00 16.12 C ATOM 0 HA PRO A 139 19.726 8.106 4.161 1.00 14.91 H new ATOM 0 HB2 PRO A 139 21.688 9.838 4.866 1.00 15.76 H new ATOM 0 HB3 PRO A 139 21.210 9.736 3.183 1.00 15.76 H new ATOM 0 HG2 PRO A 139 20.635 11.865 5.178 1.00 16.48 H new ATOM 0 HG3 PRO A 139 20.764 11.986 3.434 1.00 16.48 H new ATOM 0 HD2 PRO A 139 18.348 11.821 4.968 1.00 16.12 H new ATOM 0 HD3 PRO A 139 18.483 11.821 3.220 1.00 16.12 H new ATOM 2148 N LEU A 140 20.212 7.963 6.636 1.00 13.94 N ATOM 2149 CA LEU A 140 20.100 7.718 8.059 1.00 13.62 C ATOM 2150 C LEU A 140 21.258 6.858 8.544 1.00 13.69 C ATOM 2151 O LEU A 140 21.159 5.632 8.575 1.00 13.37 O ATOM 2152 CB LEU A 140 18.763 7.036 8.381 1.00 12.88 C ATOM 2153 CG LEU A 140 18.573 6.608 9.841 1.00 12.84 C ATOM 2154 CD1 LEU A 140 18.581 7.816 10.766 1.00 13.08 C ATOM 2155 CD2 LEU A 140 17.280 5.824 9.999 1.00 12.35 C ATOM 0 H LEU A 140 20.819 7.316 6.132 1.00 13.94 H new ATOM 0 HA LEU A 140 20.137 8.676 8.577 1.00 13.62 H new ATOM 0 HB2 LEU A 140 17.955 7.716 8.112 1.00 12.88 H new ATOM 0 HB3 LEU A 140 18.663 6.155 7.747 1.00 12.88 H new ATOM 0 HG LEU A 140 19.407 5.963 10.119 1.00 12.84 H new ATOM 0 HD11 LEU A 140 18.445 7.486 11.796 1.00 13.08 H new ATOM 0 HD12 LEU A 140 19.534 8.338 10.675 1.00 13.08 H new ATOM 0 HD13 LEU A 140 17.770 8.491 10.490 1.00 13.08 H new ATOM 0 HD21 LEU A 140 17.159 5.527 11.041 1.00 12.35 H new ATOM 0 HD22 LEU A 140 16.438 6.447 9.699 1.00 12.35 H new ATOM 0 HD23 LEU A 140 17.315 4.934 9.370 1.00 12.35 H new ATOM 2167 N ASP A 141 22.349 7.524 8.907 1.00 14.24 N ATOM 2168 CA ASP A 141 23.518 6.878 9.514 1.00 14.50 C ATOM 2169 C ASP A 141 23.938 5.632 8.739 1.00 14.65 C ATOM 2170 O ASP A 141 23.564 4.510 9.084 1.00 14.60 O ATOM 2171 CB ASP A 141 23.240 6.515 10.975 1.00 14.25 C ATOM 2172 CG ASP A 141 24.470 6.672 11.846 1.00 14.67 C ATOM 2173 OD1 ASP A 141 25.294 5.736 11.901 1.00 14.68 O ATOM 2174 OD2 ASP A 141 24.620 7.737 12.482 1.00 15.08 O ATOM 0 H ASP A 141 22.452 8.532 8.790 1.00 14.24 H new ATOM 0 HA ASP A 141 24.339 7.594 9.476 1.00 14.50 H new ATOM 0 HB2 ASP A 141 22.441 7.149 11.360 1.00 14.25 H new ATOM 0 HB3 ASP A 141 22.886 5.486 11.031 1.00 14.25 H new ATOM 2179 N GLY A 142 24.705 5.837 7.681 1.00 14.99 N ATOM 2180 CA GLY A 142 25.156 4.732 6.849 1.00 15.30 C ATOM 2181 C GLY A 142 24.032 4.032 6.097 1.00 15.13 C ATOM 2182 O GLY A 142 24.285 3.134 5.297 1.00 15.53 O ATOM 0 H GLY A 142 25.028 6.756 7.378 1.00 14.99 H new ATOM 0 HA2 GLY A 142 25.885 5.105 6.130 1.00 15.30 H new ATOM 0 HA3 GLY A 142 25.670 4.004 7.476 1.00 15.30 H new ATOM 2186 N ARG A 143 22.794 4.430 6.346 1.00 14.64 N ATOM 2187 CA ARG A 143 21.664 3.822 5.652 1.00 14.58 C ATOM 2188 C ARG A 143 20.788 4.860 4.960 1.00 14.18 C ATOM 2189 O ARG A 143 19.985 5.528 5.594 1.00 13.64 O ATOM 2190 CB ARG A 143 20.811 3.027 6.639 1.00 14.55 C ATOM 2191 CG ARG A 143 20.812 1.532 6.387 1.00 14.62 C ATOM 2192 CD ARG A 143 20.662 0.762 7.686 1.00 15.01 C ATOM 2193 NE ARG A 143 21.600 -0.353 7.778 1.00 15.55 N ATOM 2194 CZ ARG A 143 22.864 -0.235 8.184 1.00 16.06 C ATOM 2195 NH1 ARG A 143 23.348 0.953 8.527 1.00 16.09 N ATOM 2196 NH2 ARG A 143 23.646 -1.304 8.258 1.00 16.66 N ATOM 0 H ARG A 143 22.546 5.161 7.013 1.00 14.64 H new ATOM 0 HA ARG A 143 22.074 3.162 4.888 1.00 14.58 H new ATOM 0 HB2 ARG A 143 21.172 3.215 7.650 1.00 14.55 H new ATOM 0 HB3 ARG A 143 19.785 3.392 6.594 1.00 14.55 H new ATOM 0 HG2 ARG A 143 19.998 1.273 5.710 1.00 14.62 H new ATOM 0 HG3 ARG A 143 21.740 1.243 5.894 1.00 14.62 H new ATOM 0 HD2 ARG A 143 20.820 1.437 8.527 1.00 15.01 H new ATOM 0 HD3 ARG A 143 19.643 0.385 7.767 1.00 15.01 H new ATOM 0 HE ARG A 143 21.267 -1.281 7.515 1.00 15.55 H new ATOM 0 HH11 ARG A 143 22.752 1.779 8.480 1.00 16.09 H new ATOM 0 HH12 ARG A 143 24.316 1.039 8.837 1.00 16.09 H new ATOM 0 HH21 ARG A 143 23.281 -2.222 8.004 1.00 16.66 H new ATOM 0 HH22 ARG A 143 24.613 -1.208 8.569 1.00 16.66 H new ATOM 2210 N PRO A 144 20.929 4.982 3.636 1.00 14.56 N ATOM 2211 CA PRO A 144 20.006 5.737 2.794 1.00 14.25 C ATOM 2212 C PRO A 144 18.807 4.881 2.399 1.00 13.50 C ATOM 2213 O PRO A 144 18.874 3.652 2.481 1.00 13.51 O ATOM 2214 CB PRO A 144 20.859 6.078 1.575 1.00 15.09 C ATOM 2215 CG PRO A 144 21.808 4.935 1.449 1.00 15.66 C ATOM 2216 CD PRO A 144 22.023 4.391 2.843 1.00 15.41 C ATOM 0 HA PRO A 144 19.590 6.615 3.288 1.00 14.25 H new ATOM 0 HB2 PRO A 144 20.246 6.185 0.680 1.00 15.09 H new ATOM 0 HB3 PRO A 144 21.389 7.020 1.713 1.00 15.09 H new ATOM 0 HG2 PRO A 144 21.402 4.166 0.792 1.00 15.66 H new ATOM 0 HG3 PRO A 144 22.751 5.262 1.012 1.00 15.66 H new ATOM 0 HD2 PRO A 144 21.981 3.302 2.856 1.00 15.41 H new ATOM 0 HD3 PRO A 144 22.999 4.677 3.236 1.00 15.41 H new ATOM 2224 N MET A 145 17.707 5.490 1.977 1.00 12.97 N ATOM 2225 CA MET A 145 16.598 4.710 1.454 1.00 12.29 C ATOM 2226 C MET A 145 16.202 5.252 0.098 1.00 12.48 C ATOM 2227 O MET A 145 16.413 6.430 -0.192 1.00 13.04 O ATOM 2228 CB MET A 145 15.378 4.705 2.383 1.00 11.64 C ATOM 2229 CG MET A 145 14.545 5.990 2.367 1.00 11.69 C ATOM 2230 SD MET A 145 14.073 6.534 4.022 1.00 11.33 S ATOM 2231 CE MET A 145 13.680 4.973 4.811 1.00 11.40 C ATOM 0 H MET A 145 17.561 6.499 1.986 1.00 12.97 H new ATOM 0 HA MET A 145 16.939 3.678 1.374 1.00 12.29 H new ATOM 0 HB2 MET A 145 14.734 3.870 2.108 1.00 11.64 H new ATOM 0 HB3 MET A 145 15.718 4.523 3.403 1.00 11.64 H new ATOM 0 HG2 MET A 145 15.113 6.781 1.877 1.00 11.69 H new ATOM 0 HG3 MET A 145 13.646 5.828 1.772 1.00 11.69 H new ATOM 0 HE1 MET A 145 12.927 5.135 5.582 1.00 11.40 H new ATOM 0 HE2 MET A 145 13.294 4.276 4.067 1.00 11.40 H new ATOM 0 HE3 MET A 145 14.580 4.558 5.264 1.00 11.40 H new ATOM 2241 N ASP A 146 15.642 4.393 -0.728 1.00 12.13 N ATOM 2242 CA ASP A 146 15.156 4.812 -2.031 1.00 12.38 C ATOM 2243 C ASP A 146 13.647 4.805 -2.018 1.00 11.73 C ATOM 2244 O ASP A 146 13.021 3.749 -2.068 1.00 11.11 O ATOM 2245 CB ASP A 146 15.664 3.901 -3.144 1.00 12.64 C ATOM 2246 CG ASP A 146 15.437 4.508 -4.513 1.00 13.31 C ATOM 2247 OD1 ASP A 146 15.688 5.718 -4.682 1.00 13.51 O ATOM 2248 OD2 ASP A 146 15.016 3.771 -5.432 1.00 13.71 O ATOM 0 H ASP A 146 15.511 3.402 -0.523 1.00 12.13 H new ATOM 0 HA ASP A 146 15.531 5.816 -2.230 1.00 12.38 H new ATOM 0 HB2 ASP A 146 16.728 3.712 -3.002 1.00 12.64 H new ATOM 0 HB3 ASP A 146 15.158 2.937 -3.085 1.00 12.64 H new ATOM 2253 N ILE A 147 13.072 5.981 -1.933 1.00 11.99 N ATOM 2254 CA ILE A 147 11.647 6.113 -1.741 1.00 11.55 C ATOM 2255 C ILE A 147 11.083 7.143 -2.717 1.00 12.03 C ATOM 2256 O ILE A 147 11.338 8.333 -2.590 1.00 12.66 O ATOM 2257 CB ILE A 147 11.359 6.508 -0.271 1.00 11.54 C ATOM 2258 CG1 ILE A 147 11.677 5.327 0.657 1.00 12.01 C ATOM 2259 CG2 ILE A 147 9.927 6.954 -0.076 1.00 10.85 C ATOM 2260 CD1 ILE A 147 11.056 5.432 2.036 1.00 11.93 C ATOM 0 H ILE A 147 13.574 6.867 -1.994 1.00 11.99 H new ATOM 0 HA ILE A 147 11.156 5.161 -1.942 1.00 11.55 H new ATOM 0 HB ILE A 147 12.001 7.353 -0.021 1.00 11.54 H new ATOM 0 HG12 ILE A 147 11.333 4.407 0.185 1.00 12.01 H new ATOM 0 HG13 ILE A 147 12.759 5.245 0.764 1.00 12.01 H new ATOM 0 HG21 ILE A 147 9.768 7.222 0.969 1.00 10.85 H new ATOM 0 HG22 ILE A 147 9.726 7.820 -0.707 1.00 10.85 H new ATOM 0 HG23 ILE A 147 9.253 6.142 -0.349 1.00 10.85 H new ATOM 0 HD11 ILE A 147 11.331 4.558 2.626 1.00 11.93 H new ATOM 0 HD12 ILE A 147 11.419 6.333 2.531 1.00 11.93 H new ATOM 0 HD13 ILE A 147 9.971 5.481 1.944 1.00 11.93 H new ATOM 2272 N GLN A 148 10.339 6.671 -3.708 1.00 11.86 N ATOM 2273 CA GLN A 148 9.786 7.554 -4.725 1.00 12.36 C ATOM 2274 C GLN A 148 8.296 7.319 -4.876 1.00 11.92 C ATOM 2275 O GLN A 148 7.841 6.178 -4.932 1.00 11.28 O ATOM 2276 CB GLN A 148 10.497 7.364 -6.067 1.00 12.71 C ATOM 2277 CG GLN A 148 10.639 5.914 -6.490 1.00 13.36 C ATOM 2278 CD GLN A 148 12.077 5.448 -6.486 1.00 13.82 C ATOM 2279 OE1 GLN A 148 12.911 5.967 -7.228 1.00 14.37 O ATOM 2280 NE2 GLN A 148 12.381 4.478 -5.640 1.00 13.78 N ATOM 0 H GLN A 148 10.105 5.686 -3.829 1.00 11.86 H new ATOM 0 HA GLN A 148 9.947 8.583 -4.402 1.00 12.36 H new ATOM 0 HB2 GLN A 148 9.947 7.904 -6.838 1.00 12.71 H new ATOM 0 HB3 GLN A 148 11.488 7.813 -6.008 1.00 12.71 H new ATOM 0 HG2 GLN A 148 10.055 5.284 -5.819 1.00 13.36 H new ATOM 0 HG3 GLN A 148 10.222 5.788 -7.489 1.00 13.36 H new ATOM 0 HE21 GLN A 148 11.658 4.076 -5.043 1.00 13.78 H new ATOM 0 HE22 GLN A 148 13.339 4.131 -5.584 1.00 13.78 H new ATOM 2289 N LEU A 149 7.540 8.400 -4.933 1.00 12.38 N ATOM 2290 CA LEU A 149 6.093 8.311 -4.985 1.00 12.11 C ATOM 2291 C LEU A 149 5.546 9.089 -6.165 1.00 12.57 C ATOM 2292 O LEU A 149 5.741 10.300 -6.272 1.00 13.35 O ATOM 2293 CB LEU A 149 5.501 8.826 -3.681 1.00 12.48 C ATOM 2294 CG LEU A 149 5.868 7.989 -2.462 1.00 12.21 C ATOM 2295 CD1 LEU A 149 6.974 8.656 -1.664 1.00 11.94 C ATOM 2296 CD2 LEU A 149 4.650 7.747 -1.598 1.00 12.16 C ATOM 0 H LEU A 149 7.906 9.352 -4.944 1.00 12.38 H new ATOM 0 HA LEU A 149 5.810 7.267 -5.116 1.00 12.11 H new ATOM 0 HB2 LEU A 149 5.837 9.850 -3.521 1.00 12.48 H new ATOM 0 HB3 LEU A 149 4.415 8.858 -3.774 1.00 12.48 H new ATOM 0 HG LEU A 149 6.238 7.024 -2.808 1.00 12.21 H new ATOM 0 HD11 LEU A 149 7.220 8.041 -0.798 1.00 11.94 H new ATOM 0 HD12 LEU A 149 7.858 8.769 -2.292 1.00 11.94 H new ATOM 0 HD13 LEU A 149 6.639 9.638 -1.328 1.00 11.94 H new ATOM 0 HD21 LEU A 149 4.931 7.148 -0.732 1.00 12.16 H new ATOM 0 HD22 LEU A 149 4.246 8.702 -1.262 1.00 12.16 H new ATOM 0 HD23 LEU A 149 3.893 7.217 -2.176 1.00 12.16 H new ATOM 2308 N VAL A 150 4.877 8.381 -7.054 1.00 12.18 N ATOM 2309 CA VAL A 150 4.330 8.985 -8.258 1.00 12.66 C ATOM 2310 C VAL A 150 2.825 8.763 -8.321 1.00 12.39 C ATOM 2311 O VAL A 150 2.353 7.635 -8.193 1.00 11.73 O ATOM 2312 CB VAL A 150 4.983 8.413 -9.537 1.00 12.72 C ATOM 2313 CG1 VAL A 150 4.984 9.458 -10.638 1.00 13.21 C ATOM 2314 CG2 VAL A 150 6.400 7.924 -9.264 1.00 12.72 C ATOM 0 H VAL A 150 4.697 7.381 -6.966 1.00 12.18 H new ATOM 0 HA VAL A 150 4.547 10.052 -8.211 1.00 12.66 H new ATOM 0 HB VAL A 150 4.393 7.557 -9.864 1.00 12.72 H new ATOM 0 HG11 VAL A 150 5.447 9.043 -11.533 1.00 13.21 H new ATOM 0 HG12 VAL A 150 3.958 9.751 -10.862 1.00 13.21 H new ATOM 0 HG13 VAL A 150 5.548 10.331 -10.310 1.00 13.21 H new ATOM 0 HG21 VAL A 150 6.832 7.528 -10.183 1.00 12.72 H new ATOM 0 HG22 VAL A 150 7.009 8.754 -8.906 1.00 12.72 H new ATOM 0 HG23 VAL A 150 6.375 7.140 -8.507 1.00 12.72 H new ATOM 2324 N ALA A 151 2.075 9.839 -8.509 1.00 13.01 N ATOM 2325 CA ALA A 151 0.619 9.758 -8.521 1.00 12.96 C ATOM 2326 C ALA A 151 0.076 9.587 -9.937 1.00 13.33 C ATOM 2327 O ALA A 151 -1.061 9.163 -10.131 1.00 13.35 O ATOM 2328 CB ALA A 151 0.019 10.997 -7.872 1.00 12.65 C ATOM 0 H ALA A 151 2.448 10.777 -8.655 1.00 13.01 H new ATOM 0 HA ALA A 151 0.330 8.877 -7.948 1.00 12.96 H new ATOM 0 HB1 ALA A 151 -1.069 10.925 -7.887 1.00 12.65 H new ATOM 0 HB2 ALA A 151 0.364 11.071 -6.841 1.00 12.65 H new ATOM 0 HB3 ALA A 151 0.331 11.884 -8.423 1.00 12.65 H new