USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 741 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 83 LYS NZ :NH3+ 174:sc= -1.67 (180deg=-2.2) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 176:sc= 0.0012 (180deg=0.00951) USER MOD Set 2.1: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 100 ASN : amide:sc= -0.355 X(o=-0.35,f=0) USER MOD Set 3.1: A 9 SER OG : rot 28:sc= 1.15 USER MOD Set 3.2: A 42 SER OG : rot -59:sc= 1.15 USER MOD Set 4.1: A 33 GLN : amide:sc= -1.4 X(o=-1.9,f=-2.3) USER MOD Set 4.2: A 36 ASN :FLIP amide:sc= -0.485 F(o=-2.8,f=-1.9) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 0.329 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.553 K(o=-0.55,f=-1.1) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.752 X(o=-0.75,f=-0.87) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 81:sc= 0.119 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -166:sc= 0 (180deg=-0.279) USER MOD Single : A 67 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.13) USER MOD Single : A 69 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.011) USER MOD Single : A 73 GLN : amide:sc=-0.00617 X(o=-0.0062,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -158:sc= -0.695 (180deg=-1.55) USER MOD Single : A 91 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.77) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N SER A 9 7.927 7.364 3.732 1.00 0.00 N ATOM 88 CA SER A 9 7.226 6.104 3.509 1.00 0.00 C ATOM 89 C SER A 9 7.787 5.003 4.402 1.00 0.00 C ATOM 90 O SER A 9 8.984 4.971 4.688 1.00 0.00 O ATOM 91 CB SER A 9 7.333 5.691 2.041 1.00 0.00 C ATOM 92 OG SER A 9 6.848 6.712 1.186 1.00 0.00 O ATOM 0 HA SER A 9 6.176 6.251 3.762 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.372 5.471 1.797 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.766 4.775 1.876 1.00 0.00 H new ATOM 0 HG SER A 9 6.956 7.583 1.622 1.00 0.00 H new ATOM 98 N LEU A 10 6.913 4.100 4.837 1.00 0.00 N ATOM 99 CA LEU A 10 7.321 2.995 5.697 1.00 0.00 C ATOM 100 C LEU A 10 8.267 2.053 4.958 1.00 0.00 C ATOM 101 O LEU A 10 7.977 1.611 3.847 1.00 0.00 O ATOM 102 CB LEU A 10 6.093 2.226 6.191 1.00 0.00 C ATOM 103 CG LEU A 10 5.695 2.505 7.642 1.00 0.00 C ATOM 104 CD1 LEU A 10 4.188 2.399 7.812 1.00 0.00 C ATOM 105 CD2 LEU A 10 6.410 1.545 8.582 1.00 0.00 C ATOM 0 H LEU A 10 5.919 4.112 4.608 1.00 0.00 H new ATOM 0 HA LEU A 10 7.849 3.409 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.248 2.467 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.283 1.158 6.081 1.00 0.00 H new ATOM 0 HG LEU A 10 5.996 3.522 7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.924 2.601 8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.697 3.126 7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.861 1.395 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.116 1.756 9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.139 0.520 8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.488 1.670 8.479 1.00 0.00 H new ATOM 117 N LYS A 11 9.399 1.750 5.584 1.00 0.00 N ATOM 118 CA LYS A 11 10.389 0.860 4.986 1.00 0.00 C ATOM 119 C LYS A 11 10.433 -0.475 5.721 1.00 0.00 C ATOM 120 O LYS A 11 11.007 -0.582 6.805 1.00 0.00 O ATOM 121 CB LYS A 11 11.772 1.513 5.007 1.00 0.00 C ATOM 122 CG LYS A 11 11.973 2.544 3.908 1.00 0.00 C ATOM 123 CD LYS A 11 12.749 1.967 2.735 1.00 0.00 C ATOM 124 CE LYS A 11 14.196 2.438 2.737 1.00 0.00 C ATOM 125 NZ LYS A 11 14.412 3.570 1.795 1.00 0.00 N ATOM 0 H LYS A 11 9.654 2.107 6.505 1.00 0.00 H new ATOM 0 HA LYS A 11 10.098 0.676 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.925 1.991 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.532 0.738 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.003 2.902 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.507 3.406 4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.720 0.878 2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.271 2.262 1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.476 2.745 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.848 1.609 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.279 3.404 1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.601 3.643 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.507 4.455 2.332 1.00 0.00 H new ATOM 139 N TYR A 12 9.820 -1.494 5.124 1.00 0.00 N ATOM 140 CA TYR A 12 9.788 -2.824 5.721 1.00 0.00 C ATOM 141 C TYR A 12 10.141 -3.891 4.691 1.00 0.00 C ATOM 142 O TYR A 12 9.504 -3.991 3.642 1.00 0.00 O ATOM 143 CB TYR A 12 8.406 -3.107 6.313 1.00 0.00 C ATOM 144 CG TYR A 12 8.288 -2.746 7.778 1.00 0.00 C ATOM 145 CD1 TYR A 12 9.134 -3.313 8.722 1.00 0.00 C ATOM 146 CD2 TYR A 12 7.330 -1.840 8.214 1.00 0.00 C ATOM 147 CE1 TYR A 12 9.029 -2.986 10.061 1.00 0.00 C ATOM 148 CE2 TYR A 12 7.219 -1.508 9.551 1.00 0.00 C ATOM 149 CZ TYR A 12 8.070 -2.084 10.469 1.00 0.00 C ATOM 150 OH TYR A 12 7.962 -1.757 11.802 1.00 0.00 O ATOM 0 H TYR A 12 9.339 -1.423 4.227 1.00 0.00 H new ATOM 0 HA TYR A 12 10.530 -2.855 6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.658 -2.550 5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.177 -4.165 6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.886 -4.021 8.405 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.661 -1.388 7.497 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.695 -3.435 10.783 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.469 -0.801 9.874 1.00 0.00 H new ATOM 0 HH TYR A 12 7.238 -1.108 11.922 1.00 0.00 H new ATOM 160 N THR A 13 11.159 -4.689 4.997 1.00 0.00 N ATOM 161 CA THR A 13 11.595 -5.751 4.097 1.00 0.00 C ATOM 162 C THR A 13 10.637 -6.936 4.151 1.00 0.00 C ATOM 163 O THR A 13 9.803 -7.033 5.052 1.00 0.00 O ATOM 164 CB THR A 13 13.009 -6.206 4.460 1.00 0.00 C ATOM 165 OG1 THR A 13 13.077 -6.593 5.821 1.00 0.00 O ATOM 166 CG2 THR A 13 14.059 -5.141 4.232 1.00 0.00 C ATOM 0 H THR A 13 11.697 -4.621 5.861 1.00 0.00 H new ATOM 0 HA THR A 13 11.598 -5.355 3.081 1.00 0.00 H new ATOM 0 HB THR A 13 13.220 -7.047 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.989 -6.882 6.034 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.038 -5.530 4.510 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.067 -4.857 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.830 -4.267 4.842 1.00 0.00 H new ATOM 174 N ALA A 14 10.761 -7.836 3.182 1.00 0.00 N ATOM 175 CA ALA A 14 9.906 -9.015 3.119 1.00 0.00 C ATOM 176 C ALA A 14 10.148 -9.933 4.313 1.00 0.00 C ATOM 177 O ALA A 14 9.235 -10.615 4.779 1.00 0.00 O ATOM 178 CB ALA A 14 10.138 -9.766 1.816 1.00 0.00 C ATOM 0 H ALA A 14 11.446 -7.771 2.429 1.00 0.00 H new ATOM 0 HA ALA A 14 8.868 -8.684 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.493 -10.644 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.907 -9.114 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.180 -10.079 1.757 1.00 0.00 H new ATOM 184 N ALA A 15 11.383 -9.946 4.802 1.00 0.00 N ATOM 185 CA ALA A 15 11.746 -10.781 5.941 1.00 0.00 C ATOM 186 C ALA A 15 10.968 -10.375 7.188 1.00 0.00 C ATOM 187 O ALA A 15 10.670 -11.207 8.044 1.00 0.00 O ATOM 188 CB ALA A 15 13.242 -10.700 6.199 1.00 0.00 C ATOM 0 H ALA A 15 12.150 -9.388 4.427 1.00 0.00 H new ATOM 0 HA ALA A 15 11.486 -11.812 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.499 -11.328 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.782 -11.046 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.519 -9.668 6.412 1.00 0.00 H new ATOM 194 N ARG A 16 10.642 -9.090 7.283 1.00 0.00 N ATOM 195 CA ARG A 16 9.899 -8.573 8.427 1.00 0.00 C ATOM 196 C ARG A 16 8.415 -8.905 8.306 1.00 0.00 C ATOM 197 O ARG A 16 7.809 -9.434 9.238 1.00 0.00 O ATOM 198 CB ARG A 16 10.091 -7.059 8.544 1.00 0.00 C ATOM 199 CG ARG A 16 11.049 -6.652 9.651 1.00 0.00 C ATOM 200 CD ARG A 16 10.477 -6.964 11.025 1.00 0.00 C ATOM 201 NE ARG A 16 10.886 -5.981 12.025 1.00 0.00 N ATOM 202 CZ ARG A 16 12.079 -5.977 12.616 1.00 0.00 C ATOM 203 NH1 ARG A 16 12.981 -6.901 12.311 1.00 0.00 N ATOM 204 NH2 ARG A 16 12.370 -5.047 13.515 1.00 0.00 N ATOM 0 H ARG A 16 10.880 -8.388 6.582 1.00 0.00 H new ATOM 0 HA ARG A 16 10.286 -9.050 9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.461 -6.674 7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.123 -6.591 8.722 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.997 -7.174 9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.260 -5.585 9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.389 -6.991 10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.804 -7.956 11.337 1.00 0.00 H new ATOM 0 HE ARG A 16 10.219 -5.255 12.286 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.762 -7.619 11.621 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.893 -6.893 12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.680 -4.335 13.754 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.284 -5.044 13.968 1.00 0.00 H new ATOM 218 N LEU A 17 7.835 -8.590 7.152 1.00 0.00 N ATOM 219 CA LEU A 17 6.422 -8.856 6.910 1.00 0.00 C ATOM 220 C LEU A 17 6.122 -10.347 7.020 1.00 0.00 C ATOM 221 O LEU A 17 5.025 -10.742 7.414 1.00 0.00 O ATOM 222 CB LEU A 17 6.015 -8.343 5.527 1.00 0.00 C ATOM 223 CG LEU A 17 6.094 -6.825 5.351 1.00 0.00 C ATOM 224 CD1 LEU A 17 5.694 -6.431 3.938 1.00 0.00 C ATOM 225 CD2 LEU A 17 5.209 -6.124 6.372 1.00 0.00 C ATOM 0 H LEU A 17 8.322 -8.151 6.371 1.00 0.00 H new ATOM 0 HA LEU A 17 5.844 -8.331 7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.653 -8.814 4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.994 -8.665 5.323 1.00 0.00 H new ATOM 0 HG LEU A 17 7.125 -6.512 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.756 -5.348 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.367 -6.905 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.672 -6.757 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.277 -5.045 6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.175 -6.443 6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.540 -6.381 7.378 1.00 0.00 H new ATOM 237 N HIS A 18 7.105 -11.171 6.668 1.00 0.00 N ATOM 238 CA HIS A 18 6.946 -12.619 6.728 1.00 0.00 C ATOM 239 C HIS A 18 6.731 -13.084 8.165 1.00 0.00 C ATOM 240 O HIS A 18 5.757 -13.775 8.466 1.00 0.00 O ATOM 241 CB HIS A 18 8.174 -13.312 6.135 1.00 0.00 C ATOM 242 CG HIS A 18 7.958 -14.766 5.844 1.00 0.00 C ATOM 243 ND1 HIS A 18 8.716 -15.768 6.412 1.00 0.00 N ATOM 244 CD2 HIS A 18 7.060 -15.384 5.040 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.295 -16.940 5.970 1.00 0.00 C ATOM 246 NE2 HIS A 18 7.292 -16.735 5.136 1.00 0.00 N ATOM 0 H HIS A 18 8.019 -10.860 6.339 1.00 0.00 H new ATOM 0 HA HIS A 18 6.067 -12.887 6.143 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.459 -12.804 5.214 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.009 -13.208 6.827 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.303 -14.905 4.437 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.702 -17.902 6.244 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.773 -17.462 4.643 1.00 0.00 H new ATOM 255 N GLU A 19 7.645 -12.698 9.049 1.00 0.00 N ATOM 256 CA GLU A 19 7.555 -13.075 10.455 1.00 0.00 C ATOM 257 C GLU A 19 6.290 -12.509 11.090 1.00 0.00 C ATOM 258 O GLU A 19 5.694 -13.129 11.971 1.00 0.00 O ATOM 259 CB GLU A 19 8.787 -12.581 11.216 1.00 0.00 C ATOM 260 CG GLU A 19 10.102 -13.070 10.630 1.00 0.00 C ATOM 261 CD GLU A 19 10.288 -14.566 10.785 1.00 0.00 C ATOM 262 OE1 GLU A 19 9.846 -15.316 9.888 1.00 0.00 O ATOM 263 OE2 GLU A 19 10.874 -14.989 11.803 1.00 0.00 O ATOM 0 H GLU A 19 8.456 -12.125 8.817 1.00 0.00 H new ATOM 0 HA GLU A 19 7.513 -14.163 10.512 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.786 -11.491 11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.718 -12.908 12.254 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.143 -12.810 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.928 -12.552 11.118 1.00 0.00 H new ATOM 270 N LYS A 20 5.885 -11.327 10.639 1.00 0.00 N ATOM 271 CA LYS A 20 4.690 -10.676 11.163 1.00 0.00 C ATOM 272 C LYS A 20 3.439 -11.482 10.826 1.00 0.00 C ATOM 273 O LYS A 20 2.464 -11.477 11.577 1.00 0.00 O ATOM 274 CB LYS A 20 4.565 -9.259 10.598 1.00 0.00 C ATOM 275 CG LYS A 20 5.540 -8.271 11.217 1.00 0.00 C ATOM 276 CD LYS A 20 5.262 -6.850 10.753 1.00 0.00 C ATOM 277 CE LYS A 20 5.458 -5.847 11.879 1.00 0.00 C ATOM 278 NZ LYS A 20 6.096 -4.591 11.399 1.00 0.00 N ATOM 0 H LYS A 20 6.367 -10.800 9.911 1.00 0.00 H new ATOM 0 HA LYS A 20 4.784 -10.620 12.248 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.727 -9.290 9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.548 -8.901 10.757 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.469 -8.321 12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.560 -8.549 10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.924 -6.601 9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.241 -6.782 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.493 -5.615 12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.075 -6.293 12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.212 -3.934 12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.028 -4.809 10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.495 -4.152 10.673 1.00 0.00 H new ATOM 292 N GLY A 21 3.474 -12.173 9.691 1.00 0.00 N ATOM 293 CA GLY A 21 2.338 -12.974 9.273 1.00 0.00 C ATOM 294 C GLY A 21 1.724 -12.483 7.978 1.00 0.00 C ATOM 295 O GLY A 21 1.090 -13.250 7.254 1.00 0.00 O ATOM 0 H GLY A 21 4.269 -12.193 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.654 -14.010 9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.581 -12.962 10.057 1.00 0.00 H new ATOM 299 N VAL A 22 1.910 -11.199 7.684 1.00 0.00 N ATOM 300 CA VAL A 22 1.368 -10.606 6.466 1.00 0.00 C ATOM 301 C VAL A 22 1.851 -11.352 5.227 1.00 0.00 C ATOM 302 O VAL A 22 1.063 -11.989 4.527 1.00 0.00 O ATOM 303 CB VAL A 22 1.760 -9.122 6.340 1.00 0.00 C ATOM 304 CG1 VAL A 22 1.024 -8.471 5.179 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.480 -8.383 7.640 1.00 0.00 C ATOM 0 H VAL A 22 2.432 -10.550 8.273 1.00 0.00 H new ATOM 0 HA VAL A 22 0.283 -10.684 6.535 1.00 0.00 H new ATOM 0 HB VAL A 22 2.830 -9.064 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.314 -7.423 5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.281 -8.984 4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.051 -8.539 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.763 -7.336 7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.418 -8.449 7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.058 -8.834 8.447 1.00 0.00 H new ATOM 315 N LEU A 23 3.151 -11.270 4.961 1.00 0.00 N ATOM 316 CA LEU A 23 3.739 -11.938 3.806 1.00 0.00 C ATOM 317 C LEU A 23 3.774 -13.449 4.011 1.00 0.00 C ATOM 318 O LEU A 23 4.335 -13.940 4.989 1.00 0.00 O ATOM 319 CB LEU A 23 5.154 -11.414 3.553 1.00 0.00 C ATOM 320 CG LEU A 23 5.682 -11.636 2.135 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.759 -10.988 1.114 1.00 0.00 C ATOM 322 CD2 LEU A 23 7.095 -11.089 2.002 1.00 0.00 C ATOM 0 H LEU A 23 3.817 -10.747 5.530 1.00 0.00 H new ATOM 0 HA LEU A 23 3.117 -11.721 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.173 -10.346 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.834 -11.894 4.257 1.00 0.00 H new ATOM 0 HG LEU A 23 5.708 -12.708 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.151 -11.156 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.764 -11.426 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.700 -9.917 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.455 -11.255 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.093 -10.020 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.751 -11.599 2.708 1.00 0.00 H new ATOM 334 N LEU A 24 3.168 -14.181 3.080 1.00 0.00 N ATOM 335 CA LEU A 24 3.130 -15.636 3.158 1.00 0.00 C ATOM 336 C LEU A 24 4.381 -16.249 2.536 1.00 0.00 C ATOM 337 O LEU A 24 5.230 -16.796 3.239 1.00 0.00 O ATOM 338 CB LEU A 24 1.881 -16.173 2.455 1.00 0.00 C ATOM 339 CG LEU A 24 0.554 -15.638 2.996 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.596 -16.043 2.086 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.316 -16.137 4.413 1.00 0.00 C ATOM 0 H LEU A 24 2.697 -13.790 2.264 1.00 0.00 H new ATOM 0 HA LEU A 24 3.096 -15.917 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.947 -15.931 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.877 -17.260 2.535 1.00 0.00 H new ATOM 0 HG LEU A 24 0.606 -14.549 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.532 -15.654 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.431 -15.636 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.650 -17.130 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.632 -15.746 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.285 -17.227 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.125 -15.796 5.059 1.00 0.00 H new ATOM 353 N GLU A 25 4.489 -16.152 1.215 1.00 0.00 N ATOM 354 CA GLU A 25 5.637 -16.697 0.500 1.00 0.00 C ATOM 355 C GLU A 25 5.778 -16.056 -0.876 1.00 0.00 C ATOM 356 O GLU A 25 4.984 -15.197 -1.256 1.00 0.00 O ATOM 357 CB GLU A 25 5.502 -18.214 0.355 1.00 0.00 C ATOM 358 CG GLU A 25 5.809 -18.977 1.633 1.00 0.00 C ATOM 359 CD GLU A 25 5.987 -20.464 1.396 1.00 0.00 C ATOM 360 OE1 GLU A 25 5.169 -21.050 0.657 1.00 0.00 O ATOM 361 OE2 GLU A 25 6.946 -21.042 1.951 1.00 0.00 O ATOM 0 H GLU A 25 3.796 -15.701 0.618 1.00 0.00 H new ATOM 0 HA GLU A 25 6.532 -16.471 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.487 -18.451 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.173 -18.556 -0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.716 -18.574 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.001 -18.821 2.348 1.00 0.00 H new ATOM 368 N ILE A 26 6.796 -16.481 -1.618 1.00 0.00 N ATOM 369 CA ILE A 26 7.042 -15.950 -2.953 1.00 0.00 C ATOM 370 C ILE A 26 7.419 -17.064 -3.923 1.00 0.00 C ATOM 371 O ILE A 26 8.316 -17.861 -3.651 1.00 0.00 O ATOM 372 CB ILE A 26 8.163 -14.893 -2.940 1.00 0.00 C ATOM 373 CG1 ILE A 26 7.906 -13.859 -1.845 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.272 -14.219 -4.300 1.00 0.00 C ATOM 375 CD1 ILE A 26 9.011 -12.834 -1.710 1.00 0.00 C ATOM 0 H ILE A 26 7.463 -17.191 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 26 6.116 -15.480 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 26 9.109 -15.391 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.968 -13.345 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.781 -14.374 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.068 -13.475 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.498 -14.967 -5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.327 -13.731 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.761 -12.132 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.947 -13.338 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.122 -12.293 -2.650 1.00 0.00 H new ATOM 387 N GLU A 27 6.726 -17.114 -5.056 1.00 0.00 N ATOM 388 CA GLU A 27 6.986 -18.131 -6.067 1.00 0.00 C ATOM 389 C GLU A 27 8.137 -17.710 -6.978 1.00 0.00 C ATOM 390 O GLU A 27 7.975 -17.607 -8.194 1.00 0.00 O ATOM 391 CB GLU A 27 5.727 -18.390 -6.898 1.00 0.00 C ATOM 392 CG GLU A 27 4.590 -19.009 -6.102 1.00 0.00 C ATOM 393 CD GLU A 27 4.437 -20.495 -6.364 1.00 0.00 C ATOM 394 OE1 GLU A 27 5.469 -21.193 -6.445 1.00 0.00 O ATOM 395 OE2 GLU A 27 3.285 -20.959 -6.490 1.00 0.00 O ATOM 0 H GLU A 27 5.980 -16.462 -5.297 1.00 0.00 H new ATOM 0 HA GLU A 27 7.269 -19.052 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.387 -17.449 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.979 -19.049 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.766 -18.847 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.658 -18.502 -6.352 1.00 0.00 H new ATOM 402 N ASP A 28 9.299 -17.468 -6.381 1.00 0.00 N ATOM 403 CA ASP A 28 10.476 -17.059 -7.140 1.00 0.00 C ATOM 404 C ASP A 28 11.706 -16.983 -6.242 1.00 0.00 C ATOM 405 O ASP A 28 12.705 -17.661 -6.481 1.00 0.00 O ATOM 406 CB ASP A 28 10.231 -15.704 -7.806 1.00 0.00 C ATOM 407 CG ASP A 28 11.006 -15.546 -9.099 1.00 0.00 C ATOM 408 OD1 ASP A 28 10.895 -16.435 -9.970 1.00 0.00 O ATOM 409 OD2 ASP A 28 11.724 -14.534 -9.242 1.00 0.00 O ATOM 0 H ASP A 28 9.451 -17.548 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 28 10.659 -17.808 -7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.166 -15.589 -8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.513 -14.908 -7.117 1.00 0.00 H new ATOM 414 N LEU A 29 11.628 -16.153 -5.206 1.00 0.00 N ATOM 415 CA LEU A 29 12.737 -15.989 -4.273 1.00 0.00 C ATOM 416 C LEU A 29 12.554 -16.881 -3.048 1.00 0.00 C ATOM 417 O LEU A 29 11.447 -17.335 -2.758 1.00 0.00 O ATOM 418 CB LEU A 29 12.853 -14.526 -3.840 1.00 0.00 C ATOM 419 CG LEU A 29 13.313 -13.561 -4.934 1.00 0.00 C ATOM 420 CD1 LEU A 29 13.375 -12.139 -4.398 1.00 0.00 C ATOM 421 CD2 LEU A 29 14.667 -13.986 -5.483 1.00 0.00 C ATOM 0 H LEU A 29 10.809 -15.584 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 29 13.655 -16.285 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.883 -14.195 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.551 -14.464 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 29 12.588 -13.589 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.704 -11.466 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.386 -11.837 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.079 -12.094 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.980 -13.289 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.402 -13.986 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.590 -14.988 -5.904 1.00 0.00 H new ATOM 433 N GLN A 30 13.647 -17.128 -2.334 1.00 0.00 N ATOM 434 CA GLN A 30 13.607 -17.967 -1.142 1.00 0.00 C ATOM 435 C GLN A 30 13.384 -17.122 0.109 1.00 0.00 C ATOM 436 O GLN A 30 13.462 -15.895 0.064 1.00 0.00 O ATOM 437 CB GLN A 30 14.907 -18.763 -1.008 1.00 0.00 C ATOM 438 CG GLN A 30 15.060 -19.855 -2.055 1.00 0.00 C ATOM 439 CD GLN A 30 16.222 -20.783 -1.763 1.00 0.00 C ATOM 440 OE1 GLN A 30 17.257 -20.730 -2.428 1.00 0.00 O ATOM 441 NE2 GLN A 30 16.056 -21.642 -0.764 1.00 0.00 N ATOM 0 H GLN A 30 14.571 -16.759 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 30 12.773 -18.662 -1.245 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.752 -18.079 -1.082 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.947 -19.213 -0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.139 -20.436 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 30 15.202 -19.397 -3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.181 -21.651 -0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.803 -22.293 -0.521 1.00 0.00 H new ATOM 450 N VAL A 31 13.106 -17.789 1.225 1.00 0.00 N ATOM 451 CA VAL A 31 12.870 -17.101 2.489 1.00 0.00 C ATOM 452 C VAL A 31 14.073 -16.252 2.889 1.00 0.00 C ATOM 453 O VAL A 31 13.925 -15.211 3.529 1.00 0.00 O ATOM 454 CB VAL A 31 12.561 -18.097 3.623 1.00 0.00 C ATOM 455 CG1 VAL A 31 12.124 -17.359 4.879 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.499 -19.093 3.184 1.00 0.00 C ATOM 0 H VAL A 31 13.039 -18.805 1.279 1.00 0.00 H new ATOM 0 HA VAL A 31 12.006 -16.454 2.337 1.00 0.00 H new ATOM 0 HB VAL A 31 13.472 -18.650 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.910 -18.079 5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.921 -16.690 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.227 -16.778 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.294 -19.788 3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.585 -18.559 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.856 -19.646 2.315 1.00 0.00 H new ATOM 466 N ASN A 32 15.263 -16.702 2.506 1.00 0.00 N ATOM 467 CA ASN A 32 16.490 -15.983 2.825 1.00 0.00 C ATOM 468 C ASN A 32 16.639 -14.743 1.949 1.00 0.00 C ATOM 469 O ASN A 32 17.239 -13.750 2.359 1.00 0.00 O ATOM 470 CB ASN A 32 17.703 -16.897 2.642 1.00 0.00 C ATOM 471 CG ASN A 32 17.787 -17.476 1.244 1.00 0.00 C ATOM 472 OD1 ASN A 32 17.274 -18.563 0.978 1.00 0.00 O ATOM 473 ND2 ASN A 32 18.436 -16.750 0.341 1.00 0.00 N ATOM 0 H ASN A 32 15.403 -17.561 1.974 1.00 0.00 H new ATOM 0 HA ASN A 32 16.434 -15.666 3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.613 -16.335 2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.654 -17.710 3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.525 -17.088 -0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.846 -15.854 0.606 1.00 0.00 H new ATOM 480 N GLN A 33 16.087 -14.808 0.741 1.00 0.00 N ATOM 481 CA GLN A 33 16.159 -13.691 -0.195 1.00 0.00 C ATOM 482 C GLN A 33 15.162 -12.591 0.173 1.00 0.00 C ATOM 483 O GLN A 33 15.219 -11.488 -0.370 1.00 0.00 O ATOM 484 CB GLN A 33 15.894 -14.178 -1.620 1.00 0.00 C ATOM 485 CG GLN A 33 16.977 -15.099 -2.158 1.00 0.00 C ATOM 486 CD GLN A 33 17.505 -14.654 -3.508 1.00 0.00 C ATOM 487 OE1 GLN A 33 17.698 -13.463 -3.750 1.00 0.00 O ATOM 488 NE2 GLN A 33 17.741 -15.612 -4.397 1.00 0.00 N ATOM 0 H GLN A 33 15.585 -15.622 0.387 1.00 0.00 H new ATOM 0 HA GLN A 33 17.164 -13.272 -0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.938 -14.701 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 33 15.802 -13.315 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.801 -15.140 -1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.579 -16.110 -2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 33 17.567 -16.587 -4.154 1.00 0.00 H new ATOM 0 HE22 GLN A 33 18.096 -15.373 -5.323 1.00 0.00 H new ATOM 497 N PHE A 34 14.248 -12.896 1.092 1.00 0.00 N ATOM 498 CA PHE A 34 13.243 -11.929 1.523 1.00 0.00 C ATOM 499 C PHE A 34 13.893 -10.625 1.977 1.00 0.00 C ATOM 500 O PHE A 34 13.310 -9.549 1.843 1.00 0.00 O ATOM 501 CB PHE A 34 12.399 -12.512 2.659 1.00 0.00 C ATOM 502 CG PHE A 34 11.181 -13.255 2.188 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.231 -14.050 1.053 1.00 0.00 C ATOM 504 CD2 PHE A 34 9.985 -13.161 2.881 1.00 0.00 C ATOM 505 CE1 PHE A 34 10.113 -14.736 0.619 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.863 -13.844 2.452 1.00 0.00 C ATOM 507 CZ PHE A 34 8.927 -14.632 1.320 1.00 0.00 C ATOM 0 H PHE A 34 14.183 -13.804 1.552 1.00 0.00 H new ATOM 0 HA PHE A 34 12.599 -11.713 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.018 -13.186 3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.087 -11.703 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.156 -14.134 0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.929 -12.546 3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.166 -15.352 -0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.937 -13.762 3.002 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.051 -15.166 0.983 1.00 0.00 H new ATOM 517 N LYS A 35 15.105 -10.728 2.514 1.00 0.00 N ATOM 518 CA LYS A 35 15.834 -9.557 2.987 1.00 0.00 C ATOM 519 C LYS A 35 16.101 -8.583 1.843 1.00 0.00 C ATOM 520 O LYS A 35 16.164 -7.371 2.048 1.00 0.00 O ATOM 521 CB LYS A 35 17.155 -9.978 3.632 1.00 0.00 C ATOM 522 CG LYS A 35 17.029 -10.321 5.107 1.00 0.00 C ATOM 523 CD LYS A 35 18.249 -11.079 5.607 1.00 0.00 C ATOM 524 CE LYS A 35 19.222 -10.158 6.327 1.00 0.00 C ATOM 525 NZ LYS A 35 19.122 -10.291 7.807 1.00 0.00 N ATOM 0 H LYS A 35 15.603 -11.611 2.632 1.00 0.00 H new ATOM 0 HA LYS A 35 15.218 -9.054 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.551 -10.842 3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.880 -9.172 3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.905 -9.406 5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.134 -10.923 5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.933 -11.875 6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.752 -11.556 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.240 -10.386 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.023 -9.125 6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.801 -9.647 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.158 -10.049 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.337 -11.270 8.083 1.00 0.00 H new ATOM 539 N ASN A 36 16.258 -9.122 0.638 1.00 0.00 N ATOM 540 CA ASN A 36 16.520 -8.301 -0.539 1.00 0.00 C ATOM 541 C ASN A 36 15.279 -7.506 -0.936 1.00 0.00 C ATOM 542 O ASN A 36 15.354 -6.302 -1.183 1.00 0.00 O ATOM 543 CB ASN A 36 16.973 -9.178 -1.707 1.00 0.00 C ATOM 544 CG ASN A 36 18.143 -10.069 -1.341 1.00 0.00 C ATOM 545 OD1 ASN A 36 17.901 -11.374 -1.294 1.00 0.00 O flip ATOM 546 ND2 ASN A 36 19.252 -9.592 -1.102 1.00 0.00 N flip ATOM 0 H ASN A 36 16.208 -10.123 0.451 1.00 0.00 H new ATOM 0 HA ASN A 36 17.315 -7.598 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 36 16.139 -9.796 -2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.253 -8.543 -2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 36 19.394 -8.583 -1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 36 20.029 -10.206 -0.856 1.00 0.00 H new ATOM 553 N VAL A 37 14.141 -8.187 -0.998 1.00 0.00 N ATOM 554 CA VAL A 37 12.885 -7.544 -1.366 1.00 0.00 C ATOM 555 C VAL A 37 12.501 -6.467 -0.357 1.00 0.00 C ATOM 556 O VAL A 37 12.601 -6.670 0.852 1.00 0.00 O ATOM 557 CB VAL A 37 11.738 -8.568 -1.467 1.00 0.00 C ATOM 558 CG1 VAL A 37 10.490 -7.918 -2.042 1.00 0.00 C ATOM 559 CG2 VAL A 37 12.162 -9.763 -2.308 1.00 0.00 C ATOM 0 H VAL A 37 14.062 -9.184 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 37 13.040 -7.085 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 37 11.504 -8.924 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.691 -8.657 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.176 -7.099 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.707 -7.532 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.339 -10.476 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.425 -9.427 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.025 -10.244 -1.848 1.00 0.00 H new ATOM 569 N ILE A 38 12.061 -5.320 -0.865 1.00 0.00 N ATOM 570 CA ILE A 38 11.662 -4.209 -0.009 1.00 0.00 C ATOM 571 C ILE A 38 10.331 -3.618 -0.464 1.00 0.00 C ATOM 572 O ILE A 38 10.105 -3.419 -1.658 1.00 0.00 O ATOM 573 CB ILE A 38 12.735 -3.099 0.007 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.361 -2.008 1.014 1.00 0.00 C ATOM 575 CG2 ILE A 38 12.914 -2.508 -1.383 1.00 0.00 C ATOM 576 CD1 ILE A 38 12.876 -2.273 2.412 1.00 0.00 C ATOM 0 H ILE A 38 11.972 -5.136 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 38 11.551 -4.606 1.000 1.00 0.00 H new ATOM 0 HB ILE A 38 13.683 -3.540 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.755 -1.053 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.276 -1.912 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.674 -1.727 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.226 -3.291 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.970 -2.081 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.574 -1.460 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.462 -3.212 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.964 -2.339 2.393 1.00 0.00 H new ATOM 588 N PHE A 39 9.454 -3.339 0.495 1.00 0.00 N ATOM 589 CA PHE A 39 8.146 -2.770 0.193 1.00 0.00 C ATOM 590 C PHE A 39 7.966 -1.420 0.880 1.00 0.00 C ATOM 591 O PHE A 39 7.838 -1.346 2.102 1.00 0.00 O ATOM 592 CB PHE A 39 7.036 -3.729 0.630 1.00 0.00 C ATOM 593 CG PHE A 39 7.067 -5.049 -0.085 1.00 0.00 C ATOM 594 CD1 PHE A 39 6.678 -5.141 -1.412 1.00 0.00 C ATOM 595 CD2 PHE A 39 7.485 -6.197 0.568 1.00 0.00 C ATOM 596 CE1 PHE A 39 6.705 -6.354 -2.073 1.00 0.00 C ATOM 597 CE2 PHE A 39 7.514 -7.413 -0.088 1.00 0.00 C ATOM 598 CZ PHE A 39 7.124 -7.492 -1.410 1.00 0.00 C ATOM 0 H PHE A 39 9.626 -3.498 1.488 1.00 0.00 H new ATOM 0 HA PHE A 39 8.084 -2.619 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.120 -3.904 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.069 -3.255 0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.350 -4.255 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.792 -6.141 1.602 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.399 -6.413 -3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.841 -8.301 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.146 -8.441 -1.925 1.00 0.00 H new ATOM 608 N GLU A 40 7.955 -0.354 0.086 1.00 0.00 N ATOM 609 CA GLU A 40 7.789 0.993 0.617 1.00 0.00 C ATOM 610 C GLU A 40 6.352 1.474 0.441 1.00 0.00 C ATOM 611 O GLU A 40 5.890 1.679 -0.683 1.00 0.00 O ATOM 612 CB GLU A 40 8.755 1.959 -0.074 1.00 0.00 C ATOM 613 CG GLU A 40 10.004 2.257 0.740 1.00 0.00 C ATOM 614 CD GLU A 40 10.626 3.593 0.385 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.905 4.612 0.423 1.00 0.00 O ATOM 616 OE2 GLU A 40 11.834 3.621 0.068 1.00 0.00 O ATOM 0 H GLU A 40 8.059 -0.398 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 40 8.015 0.968 1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.050 1.539 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.235 2.894 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.753 2.248 1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.736 1.465 0.579 1.00 0.00 H new ATOM 623 N ILE A 41 5.651 1.650 1.556 1.00 0.00 N ATOM 624 CA ILE A 41 4.267 2.105 1.523 1.00 0.00 C ATOM 625 C ILE A 41 4.163 3.577 1.905 1.00 0.00 C ATOM 626 O ILE A 41 4.502 3.964 3.023 1.00 0.00 O ATOM 627 CB ILE A 41 3.379 1.277 2.473 1.00 0.00 C ATOM 628 CG1 ILE A 41 3.658 -0.218 2.301 1.00 0.00 C ATOM 629 CG2 ILE A 41 1.909 1.583 2.220 1.00 0.00 C ATOM 630 CD1 ILE A 41 4.424 -0.825 3.457 1.00 0.00 C ATOM 0 H ILE A 41 6.019 1.484 2.493 1.00 0.00 H new ATOM 0 HA ILE A 41 3.916 1.971 0.500 1.00 0.00 H new ATOM 0 HB ILE A 41 3.617 1.551 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.711 -0.746 2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.222 -0.371 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.293 0.992 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.723 2.643 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.658 1.333 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.587 -1.886 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.386 -0.323 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.852 -0.703 4.377 1.00 0.00 H new ATOM 642 N SER A 42 3.693 4.394 0.969 1.00 0.00 N ATOM 643 CA SER A 42 3.544 5.824 1.210 1.00 0.00 C ATOM 644 C SER A 42 2.107 6.162 1.605 1.00 0.00 C ATOM 645 O SER A 42 1.160 5.755 0.931 1.00 0.00 O ATOM 646 CB SER A 42 3.941 6.617 -0.037 1.00 0.00 C ATOM 647 OG SER A 42 5.051 6.021 -0.688 1.00 0.00 O ATOM 0 H SER A 42 3.409 4.091 0.037 1.00 0.00 H new ATOM 0 HA SER A 42 4.204 6.099 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.096 6.667 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.186 7.642 0.242 1.00 0.00 H new ATOM 0 HG SER A 42 5.813 5.990 -0.073 1.00 0.00 H new ATOM 653 N PRO A 43 1.920 6.914 2.705 1.00 0.00 N ATOM 654 CA PRO A 43 0.587 7.299 3.177 1.00 0.00 C ATOM 655 C PRO A 43 -0.045 8.381 2.306 1.00 0.00 C ATOM 656 O PRO A 43 0.503 9.473 2.159 1.00 0.00 O ATOM 657 CB PRO A 43 0.853 7.835 4.584 1.00 0.00 C ATOM 658 CG PRO A 43 2.252 8.344 4.533 1.00 0.00 C ATOM 659 CD PRO A 43 2.988 7.447 3.573 1.00 0.00 C ATOM 0 HA PRO A 43 -0.114 6.465 3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.152 8.628 4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.743 7.052 5.334 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.278 9.380 4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.712 8.319 5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.732 7.999 2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.516 6.649 4.095 1.00 0.00 H new ATOM 667 N THR A 44 -1.202 8.069 1.730 1.00 0.00 N ATOM 668 CA THR A 44 -1.908 9.014 0.872 1.00 0.00 C ATOM 669 C THR A 44 -2.772 9.959 1.700 1.00 0.00 C ATOM 670 O THR A 44 -3.159 9.641 2.824 1.00 0.00 O ATOM 671 CB THR A 44 -2.776 8.266 -0.140 1.00 0.00 C ATOM 672 OG1 THR A 44 -3.350 7.111 0.449 1.00 0.00 O ATOM 673 CG2 THR A 44 -2.014 7.823 -1.370 1.00 0.00 C ATOM 0 H THR A 44 -1.670 7.170 1.842 1.00 0.00 H new ATOM 0 HA THR A 44 -1.165 9.605 0.336 1.00 0.00 H new ATOM 0 HB THR A 44 -3.543 8.978 -0.445 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.140 7.367 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.689 7.299 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.599 8.695 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.204 7.155 -1.076 1.00 0.00 H new ATOM 681 N GLU A 45 -3.073 11.124 1.135 1.00 0.00 N ATOM 682 CA GLU A 45 -3.892 12.118 1.819 1.00 0.00 C ATOM 683 C GLU A 45 -5.270 11.553 2.149 1.00 0.00 C ATOM 684 O GLU A 45 -5.883 11.927 3.149 1.00 0.00 O ATOM 685 CB GLU A 45 -4.034 13.373 0.955 1.00 0.00 C ATOM 686 CG GLU A 45 -3.823 14.667 1.723 1.00 0.00 C ATOM 687 CD GLU A 45 -3.734 15.877 0.815 1.00 0.00 C ATOM 688 OE1 GLU A 45 -2.856 15.887 -0.075 1.00 0.00 O ATOM 689 OE2 GLU A 45 -4.539 16.814 0.993 1.00 0.00 O ATOM 0 H GLU A 45 -2.762 11.403 0.205 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.396 12.383 2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.315 13.324 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.027 13.384 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.644 14.805 2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.908 14.591 2.311 1.00 0.00 H new ATOM 696 N GLU A 46 -5.752 10.649 1.301 1.00 0.00 N ATOM 697 CA GLU A 46 -7.057 10.031 1.503 1.00 0.00 C ATOM 698 C GLU A 46 -6.931 8.742 2.307 1.00 0.00 C ATOM 699 O GLU A 46 -5.961 7.999 2.159 1.00 0.00 O ATOM 700 CB GLU A 46 -7.721 9.742 0.155 1.00 0.00 C ATOM 701 CG GLU A 46 -8.613 10.871 -0.338 1.00 0.00 C ATOM 702 CD GLU A 46 -8.888 10.788 -1.827 1.00 0.00 C ATOM 703 OE1 GLU A 46 -9.435 9.757 -2.273 1.00 0.00 O ATOM 704 OE2 GLU A 46 -8.558 11.753 -2.547 1.00 0.00 O ATOM 0 H GLU A 46 -5.258 10.329 0.468 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.678 10.728 2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.947 9.550 -0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.314 8.832 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.558 10.846 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.141 11.827 -0.112 1.00 0.00 H new ATOM 711 N VAL A 47 -7.919 8.482 3.158 1.00 0.00 N ATOM 712 CA VAL A 47 -7.917 7.281 3.985 1.00 0.00 C ATOM 713 C VAL A 47 -8.398 6.069 3.193 1.00 0.00 C ATOM 714 O VAL A 47 -9.253 6.188 2.315 1.00 0.00 O ATOM 715 CB VAL A 47 -8.807 7.459 5.232 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.250 7.727 4.831 1.00 0.00 C ATOM 717 CG2 VAL A 47 -8.714 6.237 6.135 1.00 0.00 C ATOM 0 H VAL A 47 -8.730 9.086 3.293 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.888 7.115 4.305 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.446 8.323 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.860 7.849 5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.298 8.636 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.627 6.888 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.349 6.381 7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.045 5.354 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.681 6.099 6.455 1.00 0.00 H new ATOM 727 N GLY A 48 -7.841 4.904 3.508 1.00 0.00 N ATOM 728 CA GLY A 48 -8.225 3.688 2.815 1.00 0.00 C ATOM 729 C GLY A 48 -7.278 3.342 1.683 1.00 0.00 C ATOM 730 O GLY A 48 -6.981 2.171 1.449 1.00 0.00 O ATOM 0 H GLY A 48 -7.131 4.780 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.254 2.862 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.234 3.803 2.418 1.00 0.00 H new ATOM 734 N ASP A 49 -6.804 4.364 0.978 1.00 0.00 N ATOM 735 CA ASP A 49 -5.887 4.163 -0.138 1.00 0.00 C ATOM 736 C ASP A 49 -4.440 4.130 0.346 1.00 0.00 C ATOM 737 O ASP A 49 -4.129 4.605 1.439 1.00 0.00 O ATOM 738 CB ASP A 49 -6.063 5.271 -1.177 1.00 0.00 C ATOM 739 CG ASP A 49 -5.919 4.760 -2.597 1.00 0.00 C ATOM 740 OD1 ASP A 49 -5.072 3.871 -2.824 1.00 0.00 O ATOM 741 OD2 ASP A 49 -6.651 5.250 -3.481 1.00 0.00 O ATOM 0 H ASP A 49 -7.040 5.340 1.160 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.120 3.203 -0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.046 5.726 -1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.325 6.053 -0.999 1.00 0.00 H new ATOM 746 N PHE A 50 -3.559 3.566 -0.474 1.00 0.00 N ATOM 747 CA PHE A 50 -2.146 3.471 -0.130 1.00 0.00 C ATOM 748 C PHE A 50 -1.278 3.516 -1.384 1.00 0.00 C ATOM 749 O PHE A 50 -1.786 3.485 -2.505 1.00 0.00 O ATOM 750 CB PHE A 50 -1.873 2.183 0.648 1.00 0.00 C ATOM 751 CG PHE A 50 -2.802 1.975 1.810 1.00 0.00 C ATOM 752 CD1 PHE A 50 -2.716 2.782 2.934 1.00 0.00 C ATOM 753 CD2 PHE A 50 -3.757 0.973 1.780 1.00 0.00 C ATOM 754 CE1 PHE A 50 -3.570 2.593 4.005 1.00 0.00 C ATOM 755 CE2 PHE A 50 -4.613 0.780 2.848 1.00 0.00 C ATOM 756 CZ PHE A 50 -4.518 1.591 3.962 1.00 0.00 C ATOM 0 H PHE A 50 -3.800 3.168 -1.382 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.892 4.325 0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.957 1.334 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.846 2.199 1.013 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.974 3.566 2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.834 0.335 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.495 3.229 4.875 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.355 -0.004 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.185 1.441 4.798 1.00 0.00 H new ATOM 766 N GLU A 51 0.035 3.589 -1.187 1.00 0.00 N ATOM 767 CA GLU A 51 0.973 3.638 -2.303 1.00 0.00 C ATOM 768 C GLU A 51 2.063 2.582 -2.145 1.00 0.00 C ATOM 769 O GLU A 51 3.019 2.770 -1.393 1.00 0.00 O ATOM 770 CB GLU A 51 1.604 5.027 -2.405 1.00 0.00 C ATOM 771 CG GLU A 51 1.847 5.482 -3.836 1.00 0.00 C ATOM 772 CD GLU A 51 1.158 6.795 -4.156 1.00 0.00 C ATOM 773 OE1 GLU A 51 -0.089 6.811 -4.223 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.867 7.807 -4.341 1.00 0.00 O ATOM 0 H GLU A 51 0.473 3.615 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 51 0.420 3.429 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.956 5.749 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.552 5.027 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.919 5.589 -4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.493 4.713 -4.523 1.00 0.00 H new ATOM 781 N VAL A 52 1.911 1.471 -2.858 1.00 0.00 N ATOM 782 CA VAL A 52 2.882 0.385 -2.798 1.00 0.00 C ATOM 783 C VAL A 52 3.958 0.550 -3.867 1.00 0.00 C ATOM 784 O VAL A 52 3.661 0.571 -5.061 1.00 0.00 O ATOM 785 CB VAL A 52 2.203 -0.986 -2.976 1.00 0.00 C ATOM 786 CG1 VAL A 52 3.192 -2.110 -2.712 1.00 0.00 C ATOM 787 CG2 VAL A 52 0.992 -1.105 -2.065 1.00 0.00 C ATOM 0 H VAL A 52 1.124 1.299 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 52 3.344 0.428 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 52 1.861 -1.070 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.694 -3.071 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.024 -2.034 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.568 -2.032 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.526 -2.080 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.306 -0.999 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.275 -0.321 -2.309 1.00 0.00 H new ATOM 797 N LYS A 53 5.207 0.666 -3.429 1.00 0.00 N ATOM 798 CA LYS A 53 6.327 0.827 -4.348 1.00 0.00 C ATOM 799 C LYS A 53 7.490 -0.076 -3.952 1.00 0.00 C ATOM 800 O LYS A 53 7.875 -0.134 -2.784 1.00 0.00 O ATOM 801 CB LYS A 53 6.785 2.288 -4.375 1.00 0.00 C ATOM 802 CG LYS A 53 7.891 2.559 -5.381 1.00 0.00 C ATOM 803 CD LYS A 53 7.989 4.039 -5.713 1.00 0.00 C ATOM 804 CE LYS A 53 9.216 4.340 -6.560 1.00 0.00 C ATOM 805 NZ LYS A 53 10.406 4.652 -5.723 1.00 0.00 N ATOM 0 H LYS A 53 5.469 0.651 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 53 5.992 0.540 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.931 2.924 -4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.132 2.570 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.843 2.211 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.703 1.992 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.092 4.354 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.031 4.618 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.435 3.484 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.005 5.182 -7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.221 4.851 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.206 5.484 -5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.624 3.839 -5.113 1.00 0.00 H new ATOM 819 N ALA A 54 8.048 -0.780 -4.933 1.00 0.00 N ATOM 820 CA ALA A 54 9.168 -1.680 -4.685 1.00 0.00 C ATOM 821 C ALA A 54 10.211 -1.575 -5.792 1.00 0.00 C ATOM 822 O ALA A 54 9.907 -1.777 -6.968 1.00 0.00 O ATOM 823 CB ALA A 54 8.673 -3.114 -4.560 1.00 0.00 C ATOM 0 H ALA A 54 7.743 -0.744 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 54 9.639 -1.385 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.519 -3.776 -4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.969 -3.185 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.176 -3.409 -5.484 1.00 0.00 H new ATOM 974 N PHE A 64 1.943 2.056 -7.770 1.00 0.00 N ATOM 975 CA PHE A 64 0.844 1.130 -7.525 1.00 0.00 C ATOM 976 C PHE A 64 0.068 1.524 -6.273 1.00 0.00 C ATOM 977 O PHE A 64 0.621 1.560 -5.174 1.00 0.00 O ATOM 978 CB PHE A 64 1.374 -0.298 -7.382 1.00 0.00 C ATOM 979 CG PHE A 64 0.302 -1.347 -7.452 1.00 0.00 C ATOM 980 CD1 PHE A 64 -0.522 -1.440 -8.563 1.00 0.00 C ATOM 981 CD2 PHE A 64 0.116 -2.240 -6.409 1.00 0.00 C ATOM 982 CE1 PHE A 64 -1.510 -2.404 -8.631 1.00 0.00 C ATOM 983 CE2 PHE A 64 -0.870 -3.205 -6.471 1.00 0.00 C ATOM 984 CZ PHE A 64 -1.685 -3.288 -7.584 1.00 0.00 C ATOM 0 HA PHE A 64 0.168 1.176 -8.379 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.106 -0.485 -8.168 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.898 -0.389 -6.430 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.390 -0.751 -9.385 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.750 -2.181 -5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.145 -2.466 -9.502 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.004 -3.894 -5.650 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.457 -4.042 -7.635 1.00 0.00 H new ATOM 994 N MET A 65 -1.215 1.821 -6.448 1.00 0.00 N ATOM 995 CA MET A 65 -2.068 2.214 -5.331 1.00 0.00 C ATOM 996 C MET A 65 -2.976 1.064 -4.910 1.00 0.00 C ATOM 997 O MET A 65 -3.762 0.554 -5.709 1.00 0.00 O ATOM 998 CB MET A 65 -2.912 3.433 -5.710 1.00 0.00 C ATOM 999 CG MET A 65 -2.104 4.713 -5.846 1.00 0.00 C ATOM 1000 SD MET A 65 -2.905 5.930 -6.908 1.00 0.00 S ATOM 1001 CE MET A 65 -2.923 7.361 -5.831 1.00 0.00 C ATOM 0 H MET A 65 -1.687 1.797 -7.352 1.00 0.00 H new ATOM 0 HA MET A 65 -1.426 2.473 -4.490 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.422 3.233 -6.652 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.684 3.579 -4.955 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.947 5.146 -4.858 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.120 4.476 -6.250 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.598 8.114 -6.238 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.265 7.066 -4.839 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.917 7.775 -5.760 1.00 0.00 H new ATOM 1011 N LEU A 66 -2.864 0.660 -3.648 1.00 0.00 N ATOM 1012 CA LEU A 66 -3.676 -0.430 -3.120 1.00 0.00 C ATOM 1013 C LEU A 66 -5.030 0.082 -2.641 1.00 0.00 C ATOM 1014 O LEU A 66 -5.117 0.800 -1.646 1.00 0.00 O ATOM 1015 CB LEU A 66 -2.946 -1.126 -1.970 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.463 -2.524 -1.626 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -3.282 -3.465 -2.807 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -2.752 -3.068 -0.396 1.00 0.00 C ATOM 0 H LEU A 66 -2.219 1.071 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.843 -1.147 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.888 -1.199 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.019 -0.499 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.528 -2.452 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.655 -4.455 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.837 -3.084 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.224 -3.532 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.133 -4.063 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.681 -3.125 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.932 -2.406 0.451 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.085 -0.293 -3.358 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.436 0.129 -3.005 1.00 0.00 C ATOM 1032 C HIS A 67 -7.991 -0.718 -1.864 1.00 0.00 C ATOM 1033 O HIS A 67 -7.725 -1.916 -1.782 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.358 0.031 -4.222 1.00 0.00 C ATOM 1035 CG HIS A 67 -9.341 1.156 -4.320 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -10.185 1.329 -5.397 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -9.617 2.169 -3.463 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -10.934 2.399 -5.200 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -10.609 2.926 -4.035 1.00 0.00 N ATOM 0 H HIS A 67 -6.031 -0.887 -4.185 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.390 1.167 -2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.751 0.010 -5.127 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.901 -0.913 -4.181 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.145 2.347 -2.508 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -11.685 2.778 -5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -11.027 3.761 -3.625 1.00 0.00 H new ATOM 1048 N TYR A 68 -8.761 -0.085 -0.985 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.354 -0.781 0.153 1.00 0.00 C ATOM 1050 C TYR A 68 -10.563 -1.602 -0.280 1.00 0.00 C ATOM 1051 O TYR A 68 -10.854 -2.649 0.297 1.00 0.00 O ATOM 1052 CB TYR A 68 -9.764 0.222 1.233 1.00 0.00 C ATOM 1053 CG TYR A 68 -9.894 -0.389 2.610 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -8.768 -0.732 3.348 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -11.143 -0.623 3.171 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -8.884 -1.291 4.607 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -11.267 -1.181 4.429 1.00 0.00 C ATOM 1058 CZ TYR A 68 -10.135 -1.513 5.143 1.00 0.00 C ATOM 1059 OH TYR A 68 -10.254 -2.069 6.396 1.00 0.00 O ATOM 0 H TYR A 68 -8.989 0.908 -1.038 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.605 -1.460 0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.028 1.025 1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.716 0.674 0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.787 -0.559 2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.032 -0.365 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.999 -1.553 5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.246 -1.356 4.851 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.203 -2.158 6.626 1.00 0.00 H new ATOM 1069 N GLN A 69 -11.266 -1.119 -1.300 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.446 -1.809 -1.810 1.00 0.00 C ATOM 1071 C GLN A 69 -12.073 -3.171 -2.387 1.00 0.00 C ATOM 1072 O GLN A 69 -12.742 -4.170 -2.129 1.00 0.00 O ATOM 1073 CB GLN A 69 -13.136 -0.960 -2.878 1.00 0.00 C ATOM 1074 CG GLN A 69 -13.493 0.439 -2.406 1.00 0.00 C ATOM 1075 CD GLN A 69 -14.825 0.489 -1.682 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -14.902 0.918 -0.531 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -15.881 0.047 -2.354 1.00 0.00 N ATOM 0 H GLN A 69 -11.039 -0.253 -1.789 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.134 -1.964 -0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.484 -0.885 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.044 -1.468 -3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.709 0.806 -1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.525 1.111 -3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.771 -0.300 -3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.803 0.054 -1.918 1.00 0.00 H new ATOM 1086 N ASP A 70 -11.000 -3.201 -3.171 1.00 0.00 N ATOM 1087 CA ASP A 70 -10.538 -4.440 -3.785 1.00 0.00 C ATOM 1088 C ASP A 70 -10.169 -5.469 -2.722 1.00 0.00 C ATOM 1089 O ASP A 70 -10.431 -6.662 -2.881 1.00 0.00 O ATOM 1090 CB ASP A 70 -9.333 -4.167 -4.688 1.00 0.00 C ATOM 1091 CG ASP A 70 -9.733 -3.928 -6.130 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -10.651 -3.114 -6.364 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -9.128 -4.554 -7.026 1.00 0.00 O ATOM 0 H ASP A 70 -10.435 -2.382 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.351 -4.843 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.793 -3.297 -4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.647 -5.013 -4.640 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.561 -5.000 -1.637 1.00 0.00 N ATOM 1099 CA LEU A 71 -9.157 -5.880 -0.546 1.00 0.00 C ATOM 1100 C LEU A 71 -10.371 -6.545 0.094 1.00 0.00 C ATOM 1101 O LEU A 71 -10.375 -7.752 0.336 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.377 -5.093 0.509 1.00 0.00 C ATOM 1103 CG LEU A 71 -6.979 -4.646 0.081 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.443 -3.586 1.031 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -6.034 -5.837 0.021 1.00 0.00 C ATOM 0 H LEU A 71 -9.337 -4.016 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.514 -6.658 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.956 -4.211 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.287 -5.707 1.405 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.047 -4.210 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.447 -3.280 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.108 -2.722 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.390 -3.995 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.044 -5.500 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.971 -6.302 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.409 -6.563 -0.700 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.400 -5.749 0.367 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.620 -6.261 0.979 1.00 0.00 C ATOM 1119 C LEU A 72 -13.308 -7.268 0.063 1.00 0.00 C ATOM 1120 O LEU A 72 -13.956 -8.205 0.530 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.576 -5.110 1.300 1.00 0.00 C ATOM 1122 CG LEU A 72 -13.055 -4.102 2.325 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.695 -2.739 2.106 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -13.318 -4.596 3.739 1.00 0.00 C ATOM 0 H LEU A 72 -11.413 -4.748 0.174 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.347 -6.767 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.805 -4.580 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.513 -5.528 1.668 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.978 -4.000 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.312 -2.034 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.455 -2.381 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.777 -2.824 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.941 -3.866 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.390 -4.727 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.812 -5.549 3.891 1.00 0.00 H new ATOM 1136 N GLN A 73 -13.164 -7.068 -1.243 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.771 -7.958 -2.225 1.00 0.00 C ATOM 1138 C GLN A 73 -13.214 -9.372 -2.095 1.00 0.00 C ATOM 1139 O GLN A 73 -13.920 -10.352 -2.332 1.00 0.00 O ATOM 1140 CB GLN A 73 -13.532 -7.428 -3.640 1.00 0.00 C ATOM 1141 CG GLN A 73 -14.794 -7.375 -4.489 1.00 0.00 C ATOM 1142 CD GLN A 73 -14.620 -8.051 -5.835 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -14.634 -7.396 -6.878 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -14.458 -9.369 -5.820 1.00 0.00 N ATOM 0 H GLN A 73 -12.632 -6.297 -1.646 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.844 -7.992 -2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.103 -6.428 -3.577 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.796 -8.060 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.611 -7.854 -3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.080 -6.335 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.453 -9.872 -4.933 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.339 -9.878 -6.696 1.00 0.00 H new ATOM 1153 N LEU A 74 -11.944 -9.470 -1.717 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.292 -10.765 -1.556 1.00 0.00 C ATOM 1155 C LEU A 74 -11.740 -11.442 -0.265 1.00 0.00 C ATOM 1156 O LEU A 74 -11.854 -12.665 -0.201 1.00 0.00 O ATOM 1157 CB LEU A 74 -9.772 -10.597 -1.556 1.00 0.00 C ATOM 1158 CG LEU A 74 -9.219 -9.707 -2.670 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.842 -9.181 -2.299 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -9.164 -10.470 -3.985 1.00 0.00 C ATOM 0 H LEU A 74 -11.346 -8.669 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.581 -11.397 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.468 -10.182 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.313 -11.582 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.889 -8.856 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.465 -8.550 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.911 -8.597 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.162 -10.019 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.768 -9.821 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.517 -11.340 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.167 -10.796 -4.259 1.00 0.00 H new ATOM 1172 N GLN A 75 -11.992 -10.636 0.762 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.427 -11.157 2.053 1.00 0.00 C ATOM 1174 C GLN A 75 -13.832 -11.746 1.956 1.00 0.00 C ATOM 1175 O GLN A 75 -14.170 -12.691 2.669 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.394 -10.051 3.110 1.00 0.00 C ATOM 1177 CG GLN A 75 -11.706 -10.464 4.401 1.00 0.00 C ATOM 1178 CD GLN A 75 -11.463 -9.293 5.332 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -12.117 -8.255 5.227 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -10.516 -9.452 6.249 1.00 0.00 N ATOM 0 H GLN A 75 -11.902 -9.621 0.725 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.740 -11.951 2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.883 -9.181 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.415 -9.744 3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.316 -11.209 4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.754 -10.940 4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.998 -10.329 6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.306 -8.697 6.902 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.646 -11.182 1.070 1.00 0.00 N ATOM 1190 CA TYR A 76 -16.014 -11.651 0.880 1.00 0.00 C ATOM 1191 C TYR A 76 -16.038 -12.952 0.083 1.00 0.00 C ATOM 1192 O TYR A 76 -16.718 -13.907 0.457 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.844 -10.585 0.163 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.312 -10.932 0.055 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -19.091 -11.101 1.193 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -18.919 -11.091 -1.185 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.433 -11.418 1.098 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.260 -11.407 -1.288 1.00 0.00 C ATOM 1199 CZ TYR A 76 -21.012 -11.570 -0.144 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.348 -11.886 -0.242 1.00 0.00 O ATOM 0 H TYR A 76 -14.382 -10.399 0.472 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.447 -11.840 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.741 -9.639 0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.440 -10.435 -0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.641 -10.983 2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.333 -10.965 -2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -21.025 -11.546 1.992 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -20.717 -11.526 -2.259 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.599 -11.956 -1.187 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.291 -12.979 -1.016 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.228 -14.162 -1.866 1.00 0.00 C ATOM 1212 C GLU A 77 -14.531 -15.313 -1.148 1.00 0.00 C ATOM 1213 O GLU A 77 -14.947 -16.467 -1.254 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.495 -13.839 -3.170 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.411 -13.345 -4.277 1.00 0.00 C ATOM 1216 CD GLU A 77 -14.651 -12.935 -5.523 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -13.504 -13.397 -5.697 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -15.203 -12.152 -6.324 1.00 0.00 O ATOM 0 H GLU A 77 -14.722 -12.196 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.248 -14.468 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.737 -13.082 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.972 -14.732 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.123 -14.130 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.990 -12.496 -3.913 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.468 -14.991 -0.419 1.00 0.00 N ATOM 1226 CA GLY A 78 -12.729 -16.010 0.305 1.00 0.00 C ATOM 1227 C GLY A 78 -11.239 -15.961 0.024 1.00 0.00 C ATOM 1228 O GLY A 78 -10.437 -16.460 0.813 1.00 0.00 O ATOM 0 H GLY A 78 -13.105 -14.043 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.897 -15.885 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.114 -16.993 0.035 1.00 0.00 H new ATOM 1232 N VAL A 79 -10.867 -15.359 -1.102 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.464 -15.247 -1.483 1.00 0.00 C ATOM 1234 C VAL A 79 -8.645 -14.576 -0.384 1.00 0.00 C ATOM 1235 O VAL A 79 -8.561 -13.350 -0.322 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.297 -14.451 -2.790 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -7.858 -14.515 -3.276 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.252 -14.968 -3.856 1.00 0.00 C ATOM 0 H VAL A 79 -11.519 -14.941 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.098 -16.262 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.541 -13.408 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.761 -13.946 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.199 -14.091 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.581 -15.553 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.120 -14.393 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.042 -16.019 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.279 -14.862 -3.507 1.00 0.00 H new ATOM 1248 N ALA A 80 -8.044 -15.389 0.477 1.00 0.00 N ATOM 1249 CA ALA A 80 -7.232 -14.875 1.573 1.00 0.00 C ATOM 1250 C ALA A 80 -5.830 -14.507 1.099 1.00 0.00 C ATOM 1251 O ALA A 80 -5.142 -13.705 1.731 1.00 0.00 O ATOM 1252 CB ALA A 80 -7.158 -15.896 2.698 1.00 0.00 C ATOM 0 H ALA A 80 -8.104 -16.406 0.437 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.708 -13.969 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.549 -15.499 3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.162 -16.105 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.710 -16.817 2.325 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.407 -15.098 -0.016 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.085 -14.828 -0.568 1.00 0.00 C ATOM 1260 C VAL A 81 -4.175 -13.967 -1.822 1.00 0.00 C ATOM 1261 O VAL A 81 -5.052 -14.167 -2.664 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.340 -16.133 -0.908 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -1.895 -15.843 -1.280 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.413 -17.109 0.257 1.00 0.00 C ATOM 0 H VAL A 81 -5.961 -15.766 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.529 -14.289 0.199 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.826 -16.593 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.386 -16.777 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.868 -15.185 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.394 -15.359 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.881 -18.025 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.954 -16.659 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.456 -17.343 0.471 1.00 0.00 H new ATOM 1274 N MET A 82 -3.262 -13.009 -1.944 1.00 0.00 N ATOM 1275 CA MET A 82 -3.236 -12.116 -3.097 1.00 0.00 C ATOM 1276 C MET A 82 -1.927 -12.261 -3.865 1.00 0.00 C ATOM 1277 O MET A 82 -0.847 -12.025 -3.321 1.00 0.00 O ATOM 1278 CB MET A 82 -3.422 -10.665 -2.650 1.00 0.00 C ATOM 1279 CG MET A 82 -3.623 -9.694 -3.801 1.00 0.00 C ATOM 1280 SD MET A 82 -4.791 -8.379 -3.406 1.00 0.00 S ATOM 1281 CE MET A 82 -3.708 -7.186 -2.624 1.00 0.00 C ATOM 0 H MET A 82 -2.529 -12.831 -1.257 1.00 0.00 H new ATOM 0 HA MET A 82 -4.057 -12.392 -3.758 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.282 -10.607 -1.982 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.550 -10.357 -2.074 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.663 -9.253 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.979 -10.241 -4.674 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.296 -6.521 -1.991 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.970 -7.709 -2.015 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.198 -6.601 -3.389 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.028 -12.651 -5.131 1.00 0.00 N ATOM 1292 CA LYS A 83 -0.851 -12.828 -5.974 1.00 0.00 C ATOM 1293 C LYS A 83 -0.342 -11.485 -6.490 1.00 0.00 C ATOM 1294 O LYS A 83 -0.887 -10.929 -7.442 1.00 0.00 O ATOM 1295 CB LYS A 83 -1.175 -13.751 -7.151 1.00 0.00 C ATOM 1296 CG LYS A 83 0.018 -14.034 -8.048 1.00 0.00 C ATOM 1297 CD LYS A 83 -0.252 -15.207 -8.976 1.00 0.00 C ATOM 1298 CE LYS A 83 0.186 -16.523 -8.354 1.00 0.00 C ATOM 1299 NZ LYS A 83 -0.350 -16.692 -6.975 1.00 0.00 N ATOM 0 H LYS A 83 -2.913 -12.851 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.067 -13.284 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.562 -14.695 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.969 -13.301 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.250 -13.147 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.894 -14.247 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.316 -15.250 -9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.275 -15.056 -9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.152 -17.350 -8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.275 -16.568 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.114 -17.643 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.073 -15.978 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.383 -16.574 -6.987 1.00 0.00 H new ATOM 1313 N LEU A 84 0.706 -10.972 -5.854 1.00 0.00 N ATOM 1314 CA LEU A 84 1.291 -9.696 -6.249 1.00 0.00 C ATOM 1315 C LEU A 84 2.494 -9.909 -7.163 1.00 0.00 C ATOM 1316 O LEU A 84 3.313 -10.798 -6.930 1.00 0.00 O ATOM 1317 CB LEU A 84 1.710 -8.897 -5.014 1.00 0.00 C ATOM 1318 CG LEU A 84 0.554 -8.327 -4.188 1.00 0.00 C ATOM 1319 CD1 LEU A 84 1.087 -7.552 -2.992 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.334 -7.441 -5.051 1.00 0.00 C ATOM 0 H LEU A 84 1.168 -11.420 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 84 0.535 -9.133 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.313 -9.539 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.349 -8.074 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.049 -9.157 -3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.252 -7.153 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.679 -8.216 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.712 -6.730 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.150 -7.045 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.255 -6.616 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.743 -8.027 -5.874 1.00 0.00 H new ATOM 1332 N PHE A 85 2.593 -9.089 -8.204 1.00 0.00 N ATOM 1333 CA PHE A 85 3.695 -9.189 -9.155 1.00 0.00 C ATOM 1334 C PHE A 85 3.728 -10.565 -9.816 1.00 0.00 C ATOM 1335 O PHE A 85 4.762 -10.989 -10.332 1.00 0.00 O ATOM 1336 CB PHE A 85 5.028 -8.919 -8.452 1.00 0.00 C ATOM 1337 CG PHE A 85 5.079 -7.594 -7.748 1.00 0.00 C ATOM 1338 CD1 PHE A 85 4.617 -7.466 -6.447 1.00 0.00 C ATOM 1339 CD2 PHE A 85 5.590 -6.475 -8.385 1.00 0.00 C ATOM 1340 CE1 PHE A 85 4.663 -6.248 -5.797 1.00 0.00 C ATOM 1341 CE2 PHE A 85 5.638 -5.254 -7.741 1.00 0.00 C ATOM 1342 CZ PHE A 85 5.174 -5.141 -6.444 1.00 0.00 C ATOM 0 H PHE A 85 1.924 -8.348 -8.411 1.00 0.00 H new ATOM 0 HA PHE A 85 3.538 -8.439 -9.930 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.215 -9.713 -7.729 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.832 -8.962 -9.187 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.216 -8.329 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.955 -6.558 -9.398 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.300 -6.162 -4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.037 -4.389 -8.250 1.00 0.00 H new ATOM 0 HZ PHE A 85 5.211 -4.188 -5.937 1.00 0.00 H new ATOM 1352 N ASP A 86 2.592 -11.258 -9.798 1.00 0.00 N ATOM 1353 CA ASP A 86 2.497 -12.586 -10.397 1.00 0.00 C ATOM 1354 C ASP A 86 3.552 -13.528 -9.821 1.00 0.00 C ATOM 1355 O ASP A 86 3.934 -14.510 -10.458 1.00 0.00 O ATOM 1356 CB ASP A 86 2.657 -12.494 -11.915 1.00 0.00 C ATOM 1357 CG ASP A 86 1.334 -12.273 -12.624 1.00 0.00 C ATOM 1358 OD1 ASP A 86 0.313 -12.822 -12.160 1.00 0.00 O ATOM 1359 OD2 ASP A 86 1.320 -11.551 -13.642 1.00 0.00 O ATOM 0 H ASP A 86 1.726 -10.923 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 86 1.512 -12.990 -10.162 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.337 -11.677 -12.157 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.116 -13.411 -12.285 1.00 0.00 H new ATOM 1364 N ARG A 87 4.020 -13.223 -8.614 1.00 0.00 N ATOM 1365 CA ARG A 87 5.031 -14.045 -7.957 1.00 0.00 C ATOM 1366 C ARG A 87 4.804 -14.086 -6.450 1.00 0.00 C ATOM 1367 O ARG A 87 4.369 -15.100 -5.904 1.00 0.00 O ATOM 1368 CB ARG A 87 6.431 -13.506 -8.257 1.00 0.00 C ATOM 1369 CG ARG A 87 6.855 -13.677 -9.706 1.00 0.00 C ATOM 1370 CD ARG A 87 7.539 -15.016 -9.935 1.00 0.00 C ATOM 1371 NE ARG A 87 7.094 -15.654 -11.171 1.00 0.00 N ATOM 1372 CZ ARG A 87 7.309 -15.153 -12.386 1.00 0.00 C ATOM 1373 NH1 ARG A 87 7.962 -14.007 -12.533 1.00 0.00 N ATOM 1374 NH2 ARG A 87 6.870 -15.800 -13.456 1.00 0.00 N ATOM 0 H ARG A 87 3.716 -12.414 -8.072 1.00 0.00 H new ATOM 0 HA ARG A 87 4.947 -15.059 -8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.466 -12.447 -8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.151 -14.013 -7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.981 -13.599 -10.353 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.532 -12.870 -9.985 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.619 -14.870 -9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.334 -15.676 -9.092 1.00 0.00 H new ATOM 0 HE ARG A 87 6.588 -16.537 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.302 -13.505 -11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.124 -13.628 -13.466 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.368 -16.681 -13.349 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.034 -15.417 -14.387 1.00 0.00 H new ATOM 1388 N ALA A 88 5.104 -12.976 -5.782 1.00 0.00 N ATOM 1389 CA ALA A 88 4.935 -12.885 -4.337 1.00 0.00 C ATOM 1390 C ALA A 88 3.469 -13.021 -3.942 1.00 0.00 C ATOM 1391 O ALA A 88 2.572 -12.716 -4.729 1.00 0.00 O ATOM 1392 CB ALA A 88 5.502 -11.569 -3.823 1.00 0.00 C ATOM 0 H ALA A 88 5.465 -12.128 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 88 5.483 -13.710 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.370 -11.513 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.564 -11.512 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.979 -10.738 -4.296 1.00 0.00 H new ATOM 1398 N LYS A 89 3.232 -13.478 -2.716 1.00 0.00 N ATOM 1399 CA LYS A 89 1.876 -13.654 -2.213 1.00 0.00 C ATOM 1400 C LYS A 89 1.747 -13.101 -0.797 1.00 0.00 C ATOM 1401 O LYS A 89 2.599 -13.350 0.057 1.00 0.00 O ATOM 1402 CB LYS A 89 1.489 -15.134 -2.232 1.00 0.00 C ATOM 1403 CG LYS A 89 0.974 -15.611 -3.580 1.00 0.00 C ATOM 1404 CD LYS A 89 0.651 -17.099 -3.563 1.00 0.00 C ATOM 1405 CE LYS A 89 1.508 -17.869 -4.554 1.00 0.00 C ATOM 1406 NZ LYS A 89 0.922 -19.198 -4.882 1.00 0.00 N ATOM 0 H LYS A 89 3.964 -13.733 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 89 1.199 -13.101 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.357 -15.731 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.723 -15.310 -1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.081 -15.047 -3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.721 -15.409 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.809 -17.495 -2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.402 -17.246 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.618 -17.286 -5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.507 -18.005 -4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.501 -19.662 -5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.903 -19.790 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.047 -19.072 -5.238 1.00 0.00 H new ATOM 1420 N VAL A 90 0.679 -12.349 -0.553 1.00 0.00 N ATOM 1421 CA VAL A 90 0.442 -11.761 0.760 1.00 0.00 C ATOM 1422 C VAL A 90 -0.937 -12.137 1.290 1.00 0.00 C ATOM 1423 O VAL A 90 -1.867 -12.374 0.520 1.00 0.00 O ATOM 1424 CB VAL A 90 0.560 -10.226 0.717 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.526 -9.648 2.124 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.830 -9.808 -0.008 1.00 0.00 C ATOM 0 H VAL A 90 -0.036 -12.132 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 90 1.206 -12.159 1.427 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.293 -9.830 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.611 -8.562 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.414 -9.917 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.358 -10.050 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.896 -8.720 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.697 -10.214 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.808 -10.189 -1.029 1.00 0.00 H new ATOM 1436 N ASN A 91 -1.062 -12.188 2.613 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.327 -12.535 3.249 1.00 0.00 C ATOM 1438 C ASN A 91 -3.236 -11.313 3.348 1.00 0.00 C ATOM 1439 O ASN A 91 -2.878 -10.311 3.967 1.00 0.00 O ATOM 1440 CB ASN A 91 -2.079 -13.116 4.641 1.00 0.00 C ATOM 1441 CG ASN A 91 -3.322 -13.752 5.232 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -4.152 -14.308 4.511 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.458 -13.673 6.550 1.00 0.00 N ATOM 0 H ASN A 91 -0.302 -11.993 3.265 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.822 -13.286 2.634 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.285 -13.861 4.585 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.728 -12.325 5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.275 -14.082 7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.746 -13.203 7.109 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.410 -11.404 2.735 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.370 -10.306 2.754 1.00 0.00 C ATOM 1452 C VAL A 92 -5.982 -10.131 4.140 1.00 0.00 C ATOM 1453 O VAL A 92 -6.389 -9.031 4.515 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.499 -10.531 1.730 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.408 -9.313 1.657 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -5.923 -10.857 0.360 1.00 0.00 C ATOM 0 H VAL A 92 -4.721 -12.227 2.218 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.822 -9.402 2.488 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.096 -11.381 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.199 -9.492 0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.851 -9.131 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.826 -8.442 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.736 -11.012 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.299 -10.030 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.320 -11.763 0.425 1.00 0.00 H new ATOM 1466 N ASN A 93 -6.045 -11.221 4.897 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.610 -11.186 6.242 1.00 0.00 C ATOM 1468 C ASN A 93 -5.699 -10.421 7.198 1.00 0.00 C ATOM 1469 O ASN A 93 -6.167 -9.812 8.160 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.835 -12.610 6.759 1.00 0.00 C ATOM 1471 CG ASN A 93 -8.304 -12.977 6.821 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -9.099 -12.297 7.469 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -8.673 -14.058 6.143 1.00 0.00 N ATOM 0 H ASN A 93 -5.712 -12.139 4.603 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.568 -10.668 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.314 -13.315 6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.397 -12.706 7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.649 -14.354 6.146 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.980 -14.593 5.619 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.398 -10.457 6.929 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.424 -9.768 7.769 1.00 0.00 C ATOM 1482 C LEU A 94 -2.936 -8.485 7.103 1.00 0.00 C ATOM 1483 O LEU A 94 -2.569 -7.525 7.779 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.237 -10.685 8.066 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.446 -11.658 9.228 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -1.259 -12.600 9.354 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -2.665 -10.898 10.526 1.00 0.00 C ATOM 0 H LEU A 94 -3.994 -10.956 6.136 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.915 -9.503 8.706 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.007 -11.259 7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.365 -10.067 8.281 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.336 -12.253 9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.425 -13.285 10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.147 -13.170 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.353 -12.022 9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.812 -11.606 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.793 -10.278 10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.547 -10.264 10.432 1.00 0.00 H new ATOM 1499 N LEU A 95 -2.934 -8.475 5.774 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.488 -7.310 5.016 1.00 0.00 C ATOM 1501 C LEU A 95 -3.303 -6.074 5.387 1.00 0.00 C ATOM 1502 O LEU A 95 -2.755 -4.986 5.562 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.600 -7.579 3.515 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.228 -6.399 2.614 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -0.759 -6.044 2.780 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.540 -6.721 1.161 1.00 0.00 C ATOM 0 H LEU A 95 -3.236 -9.261 5.199 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.444 -7.122 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.958 -8.424 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.624 -7.879 3.291 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.824 -5.536 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.512 -5.203 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.566 -5.771 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.144 -6.903 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.270 -5.871 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.969 -7.597 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.605 -6.926 1.054 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.615 -6.249 5.506 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.505 -5.149 5.856 1.00 0.00 C ATOM 1520 C ILE A 96 -5.419 -4.827 7.345 1.00 0.00 C ATOM 1521 O ILE A 96 -5.587 -3.678 7.752 1.00 0.00 O ATOM 1522 CB ILE A 96 -6.967 -5.471 5.495 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.059 -5.983 4.057 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -7.844 -4.242 5.684 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.360 -6.693 3.751 1.00 0.00 C ATOM 0 H ILE A 96 -5.085 -7.143 5.365 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.180 -4.283 5.279 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.326 -6.254 6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.943 -5.143 3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.229 -6.664 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.874 -4.487 5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.799 -3.919 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.488 -3.439 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.356 -7.029 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.469 -7.554 4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.194 -6.008 3.907 1.00 0.00 H new ATOM 1537 N PHE A 97 -5.156 -5.850 8.152 1.00 0.00 N ATOM 1538 CA PHE A 97 -5.048 -5.677 9.595 1.00 0.00 C ATOM 1539 C PHE A 97 -3.887 -4.753 9.948 1.00 0.00 C ATOM 1540 O PHE A 97 -4.026 -3.854 10.777 1.00 0.00 O ATOM 1541 CB PHE A 97 -4.862 -7.032 10.279 1.00 0.00 C ATOM 1542 CG PHE A 97 -5.449 -7.095 11.660 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -4.750 -6.591 12.746 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -6.697 -7.656 11.873 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -5.287 -6.646 14.019 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -7.238 -7.715 13.143 1.00 0.00 C ATOM 1547 CZ PHE A 97 -6.533 -7.209 14.217 1.00 0.00 C ATOM 0 H PHE A 97 -5.014 -6.807 7.830 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.972 -5.221 9.951 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.320 -7.806 9.663 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.797 -7.258 10.335 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.775 -6.151 12.596 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.254 -8.052 11.037 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.733 -6.249 14.857 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -8.212 -8.157 13.296 1.00 0.00 H new ATOM 0 HZ PHE A 97 -6.955 -7.253 15.210 1.00 0.00 H new ATOM 1557 N LEU A 98 -2.742 -4.982 9.314 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.554 -4.171 9.560 1.00 0.00 C ATOM 1559 C LEU A 98 -1.825 -2.701 9.252 1.00 0.00 C ATOM 1560 O LEU A 98 -1.415 -1.814 10.002 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.383 -4.674 8.715 1.00 0.00 C ATOM 1562 CG LEU A 98 0.963 -4.014 9.017 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.457 -4.418 10.399 1.00 0.00 C ATOM 1564 CD2 LEU A 98 1.988 -4.384 7.954 1.00 0.00 C ATOM 0 H LEU A 98 -2.611 -5.723 8.625 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.296 -4.261 10.615 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.284 -5.750 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.620 -4.516 7.663 1.00 0.00 H new ATOM 0 HG LEU A 98 0.828 -2.933 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.416 -3.939 10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.733 -4.104 11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.577 -5.501 10.440 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.940 -3.906 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.120 -5.466 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.639 -4.046 6.978 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.515 -2.452 8.144 1.00 0.00 N ATOM 1577 CA LEU A 99 -2.840 -1.090 7.737 1.00 0.00 C ATOM 1578 C LEU A 99 -3.979 -0.523 8.579 1.00 0.00 C ATOM 1579 O LEU A 99 -4.074 0.688 8.777 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.221 -1.057 6.256 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.289 -1.839 5.329 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -2.966 -2.107 3.993 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -0.984 -1.084 5.125 1.00 0.00 C ATOM 0 H LEU A 99 -2.860 -3.175 7.512 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.956 -0.472 7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.231 -1.452 6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.248 -0.018 5.927 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.063 -2.797 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.288 -2.664 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.873 -2.689 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.223 -1.160 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.333 -1.655 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.192 -0.111 4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.491 -0.944 6.087 1.00 0.00 H new ATOM 1595 N ASN A 100 -4.844 -1.405 9.068 1.00 0.00 N ATOM 1596 CA ASN A 100 -5.979 -0.993 9.886 1.00 0.00 C ATOM 1597 C ASN A 100 -5.520 -0.250 11.138 1.00 0.00 C ATOM 1598 O ASN A 100 -6.266 0.548 11.705 1.00 0.00 O ATOM 1599 CB ASN A 100 -6.818 -2.212 10.279 1.00 0.00 C ATOM 1600 CG ASN A 100 -8.295 -2.009 10.003 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.947 -1.172 10.626 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -8.831 -2.778 9.061 1.00 0.00 N ATOM 0 H ASN A 100 -4.781 -2.411 8.912 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.590 -0.312 9.293 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.465 -3.085 9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.675 -2.422 11.339 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -9.820 -2.687 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.253 -3.459 8.569 1.00 0.00 H new ATOM 1609 N LYS A 101 -4.290 -0.518 11.570 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.743 0.127 12.759 1.00 0.00 C ATOM 1611 C LYS A 101 -2.557 1.023 12.409 1.00 0.00 C ATOM 1612 O LYS A 101 -2.250 1.970 13.135 1.00 0.00 O ATOM 1613 CB LYS A 101 -3.318 -0.928 13.783 1.00 0.00 C ATOM 1614 CG LYS A 101 -3.990 -0.768 15.137 1.00 0.00 C ATOM 1615 CD LYS A 101 -5.291 -1.550 15.208 1.00 0.00 C ATOM 1616 CE LYS A 101 -6.329 -0.830 16.054 1.00 0.00 C ATOM 1617 NZ LYS A 101 -7.141 0.121 15.246 1.00 0.00 N ATOM 0 H LYS A 101 -3.656 -1.175 11.116 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.524 0.753 13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.546 -1.918 13.388 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.237 -0.879 13.915 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.315 -1.110 15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.188 0.287 15.324 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.681 -1.701 14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.100 -2.538 15.627 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.987 -1.562 16.522 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.830 -0.289 16.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.837 0.591 15.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.517 0.835 14.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.638 -0.398 14.494 1.00 0.00 H new ATOM 1631 N LYS A 102 -1.889 0.720 11.300 1.00 0.00 N ATOM 1632 CA LYS A 102 -0.734 1.498 10.867 1.00 0.00 C ATOM 1633 C LYS A 102 -1.156 2.868 10.342 1.00 0.00 C ATOM 1634 O LYS A 102 -0.847 3.896 10.945 1.00 0.00 O ATOM 1635 CB LYS A 102 0.040 0.742 9.786 1.00 0.00 C ATOM 1636 CG LYS A 102 1.115 -0.178 10.340 1.00 0.00 C ATOM 1637 CD LYS A 102 2.221 0.609 11.025 1.00 0.00 C ATOM 1638 CE LYS A 102 3.408 -0.278 11.370 1.00 0.00 C ATOM 1639 NZ LYS A 102 3.530 -0.497 12.837 1.00 0.00 N ATOM 0 H LYS A 102 -2.128 -0.058 10.685 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.088 1.648 11.732 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.660 0.153 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.502 1.462 9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.669 -0.875 11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.538 -0.774 9.531 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.549 1.419 10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.832 1.068 11.934 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.301 -1.239 10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.324 0.178 10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.351 -1.106 13.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.658 0.418 13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.667 -0.956 13.192 1.00 0.00 H new ATOM 1653 N PHE A 103 -1.854 2.878 9.211 1.00 0.00 N ATOM 1654 CA PHE A 103 -2.307 4.125 8.603 1.00 0.00 C ATOM 1655 C PHE A 103 -3.730 4.468 9.032 1.00 0.00 C ATOM 1656 O PHE A 103 -4.021 5.609 9.390 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.231 4.027 7.077 1.00 0.00 C ATOM 1658 CG PHE A 103 -0.832 3.855 6.557 1.00 0.00 C ATOM 1659 CD1 PHE A 103 0.068 4.908 6.594 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -0.419 2.642 6.032 1.00 0.00 C ATOM 1661 CE1 PHE A 103 1.356 4.753 6.116 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.868 2.480 5.553 1.00 0.00 C ATOM 1663 CZ PHE A 103 1.756 3.537 5.595 1.00 0.00 C ATOM 0 H PHE A 103 -2.118 2.038 8.697 1.00 0.00 H new ATOM 0 HA PHE A 103 -1.648 4.923 8.947 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -2.840 3.187 6.744 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -2.664 4.927 6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.240 5.860 7.001 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.110 1.813 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 103 2.049 5.581 6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.178 1.529 5.147 1.00 0.00 H new ATOM 0 HZ PHE A 103 2.762 3.413 5.221 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.617 3.478 8.989 1.00 0.00 N ATOM 1674 CA TYR A 104 -6.012 3.681 9.372 1.00 0.00 C ATOM 1675 C TYR A 104 -6.117 4.321 10.753 1.00 0.00 C ATOM 1676 O TYR A 104 -5.912 3.661 11.773 1.00 0.00 O ATOM 1677 CB TYR A 104 -6.768 2.351 9.350 1.00 0.00 C ATOM 1678 CG TYR A 104 -7.996 2.365 8.468 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -9.196 2.898 8.921 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -7.955 1.842 7.180 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -10.320 2.911 8.117 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -9.075 1.852 6.370 1.00 0.00 C ATOM 1683 CZ TYR A 104 -10.254 2.387 6.842 1.00 0.00 C ATOM 1684 OH TYR A 104 -11.371 2.398 6.040 1.00 0.00 O ATOM 0 H TYR A 104 -4.395 2.527 8.693 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.464 4.359 8.648 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.094 1.566 9.007 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.065 2.095 10.367 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -9.252 3.309 9.918 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.033 1.421 6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -11.245 3.329 8.485 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.026 1.442 5.372 1.00 0.00 H new ATOM 0 HH TYR A 104 -11.156 1.993 5.174 1.00 0.00 H new