USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 647 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 103 GLN : amide:sc= -0.573 X(o=-0.89,f=-0.44) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -105:sc= -0.319 (180deg=-2.18!) USER MOD Set 2.1: A 42 GLN : amide:sc= 0.533 K(o=0.84,f=-4.8!) USER MOD Set 2.2: A 45 LYS NZ :NH3+ -166:sc= 0.305 (180deg=-0.739) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00488) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -13:sc= 0.781 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 37 SER OG : rot -49:sc= 0.628 USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= 0.313 (180deg=-0.0343) USER MOD Single : A 39 THR OG1 : rot -119:sc= -1.13 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.853 X(o=-0.85,f=-0.85) USER MOD Single : A 64 GLN : amide:sc= -0.19 X(o=-0.19,f=0.11) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.8) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0944 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 161:sc=-0.00716 (180deg=-0.246) USER MOD Single : A 104 SER OG : rot -21:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.948 -1.880 -3.006 1.00 52.45 N ATOM 12 CA ILE A 2 3.848 -3.026 -2.999 1.00 41.15 C ATOM 13 C ILE A 2 5.208 -2.661 -3.586 1.00 13.34 C ATOM 14 O ILE A 2 6.231 -3.239 -3.218 1.00 71.44 O ATOM 15 CB ILE A 2 3.261 -4.208 -3.793 1.00 34.13 C ATOM 16 CG1 ILE A 2 4.173 -5.431 -3.678 1.00 71.03 C ATOM 17 CG2 ILE A 2 3.064 -3.822 -5.251 1.00 12.20 C ATOM 18 CD1 ILE A 2 4.217 -6.024 -2.287 1.00 71.14 C ATOM 0 HA ILE A 2 3.971 -3.323 -1.958 1.00 41.15 H new ATOM 0 HB ILE A 2 2.289 -4.462 -3.371 1.00 34.13 H new ATOM 0 HG12 ILE A 2 3.834 -6.194 -4.379 1.00 71.03 H new ATOM 0 HG13 ILE A 2 5.183 -5.150 -3.977 1.00 71.03 H new ATOM 0 HG21 ILE A 2 2.649 -4.668 -5.798 1.00 12.20 H new ATOM 0 HG22 ILE A 2 2.378 -2.977 -5.314 1.00 12.20 H new ATOM 0 HG23 ILE A 2 4.024 -3.544 -5.687 1.00 12.20 H new ATOM 0 HD11 ILE A 2 4.883 -6.887 -2.280 1.00 71.14 H new ATOM 0 HD12 ILE A 2 4.585 -5.276 -1.584 1.00 71.14 H new ATOM 0 HD13 ILE A 2 3.215 -6.336 -1.993 1.00 71.14 H new ATOM 30 N THR A 3 5.212 -1.694 -4.499 1.00 23.52 N ATOM 31 CA THR A 3 6.446 -1.251 -5.136 1.00 13.43 C ATOM 32 C THR A 3 7.489 -0.855 -4.097 1.00 41.44 C ATOM 33 O THR A 3 8.691 -0.925 -4.353 1.00 42.13 O ATOM 34 CB THR A 3 6.194 -0.056 -6.076 1.00 24.43 C ATOM 35 OG1 THR A 3 5.668 1.049 -5.333 1.00 75.13 O ATOM 36 CG2 THR A 3 5.226 -0.436 -7.186 1.00 11.03 C ATOM 0 H THR A 3 4.375 -1.203 -4.813 1.00 23.52 H new ATOM 0 HA THR A 3 6.821 -2.091 -5.720 1.00 13.43 H new ATOM 0 HB THR A 3 7.144 0.230 -6.527 1.00 24.43 H new ATOM 0 HG1 THR A 3 5.512 1.805 -5.937 1.00 75.13 H new ATOM 0 HG21 THR A 3 5.063 0.423 -7.837 1.00 11.03 H new ATOM 0 HG22 THR A 3 5.644 -1.258 -7.768 1.00 11.03 H new ATOM 0 HG23 THR A 3 4.276 -0.746 -6.750 1.00 11.03 H new ATOM 44 N ASP A 4 7.022 -0.439 -2.925 1.00 62.02 N ATOM 45 CA ASP A 4 7.916 -0.033 -1.847 1.00 32.34 C ATOM 46 C ASP A 4 8.835 -1.181 -1.441 1.00 71.55 C ATOM 47 O ASP A 4 9.879 -0.966 -0.825 1.00 13.32 O ATOM 48 CB ASP A 4 7.108 0.441 -0.637 1.00 61.24 C ATOM 49 CG ASP A 4 6.653 1.881 -0.773 1.00 65.33 C ATOM 50 OD1 ASP A 4 6.826 2.457 -1.868 1.00 4.02 O ATOM 51 OD2 ASP A 4 6.124 2.431 0.215 1.00 70.15 O ATOM 0 H ASP A 4 6.030 -0.374 -2.697 1.00 62.02 H new ATOM 0 HA ASP A 4 8.531 0.791 -2.210 1.00 32.34 H new ATOM 0 HB2 ASP A 4 6.237 -0.202 -0.511 1.00 61.24 H new ATOM 0 HB3 ASP A 4 7.713 0.338 0.264 1.00 61.24 H new ATOM 56 N ILE A 5 8.439 -2.401 -1.791 1.00 44.22 N ATOM 57 CA ILE A 5 9.228 -3.582 -1.464 1.00 33.31 C ATOM 58 C ILE A 5 9.668 -4.317 -2.726 1.00 14.41 C ATOM 59 O ILE A 5 10.834 -4.685 -2.868 1.00 43.14 O ATOM 60 CB ILE A 5 8.439 -4.554 -0.566 1.00 62.34 C ATOM 61 CG1 ILE A 5 7.444 -3.785 0.305 1.00 72.15 C ATOM 62 CG2 ILE A 5 9.391 -5.367 0.299 1.00 40.41 C ATOM 63 CD1 ILE A 5 6.676 -4.665 1.266 1.00 73.25 C ATOM 0 H ILE A 5 7.577 -2.597 -2.300 1.00 44.22 H new ATOM 0 HA ILE A 5 10.109 -3.234 -0.924 1.00 33.31 H new ATOM 0 HB ILE A 5 7.881 -5.241 -1.202 1.00 62.34 H new ATOM 0 HG12 ILE A 5 7.982 -3.025 0.872 1.00 72.15 H new ATOM 0 HG13 ILE A 5 6.738 -3.262 -0.340 1.00 72.15 H new ATOM 0 HG21 ILE A 5 8.819 -6.049 0.928 1.00 40.41 H new ATOM 0 HG22 ILE A 5 10.063 -5.940 -0.339 1.00 40.41 H new ATOM 0 HG23 ILE A 5 9.974 -4.695 0.929 1.00 40.41 H new ATOM 0 HD11 ILE A 5 5.990 -4.053 1.851 1.00 73.25 H new ATOM 0 HD12 ILE A 5 6.111 -5.409 0.705 1.00 73.25 H new ATOM 0 HD13 ILE A 5 7.374 -5.168 1.935 1.00 73.25 H new ATOM 75 N LEU A 6 8.727 -4.525 -3.641 1.00 0.15 N ATOM 76 CA LEU A 6 9.017 -5.214 -4.893 1.00 43.12 C ATOM 77 C LEU A 6 9.271 -4.215 -6.018 1.00 24.13 C ATOM 78 O LEU A 6 9.247 -3.003 -5.803 1.00 32.44 O ATOM 79 CB LEU A 6 7.859 -6.139 -5.270 1.00 33.14 C ATOM 80 CG LEU A 6 8.040 -7.617 -4.923 1.00 65.34 C ATOM 81 CD1 LEU A 6 8.489 -7.776 -3.479 1.00 20.00 C ATOM 82 CD2 LEU A 6 6.750 -8.386 -5.171 1.00 4.53 C ATOM 0 H LEU A 6 7.757 -4.226 -3.539 1.00 0.15 H new ATOM 0 HA LEU A 6 9.918 -5.810 -4.750 1.00 43.12 H new ATOM 0 HB2 LEU A 6 6.957 -5.778 -4.776 1.00 33.14 H new ATOM 0 HB3 LEU A 6 7.689 -6.057 -6.344 1.00 33.14 H new ATOM 0 HG LEU A 6 8.815 -8.029 -5.570 1.00 65.34 H new ATOM 0 HD11 LEU A 6 8.612 -8.835 -3.251 1.00 20.00 H new ATOM 0 HD12 LEU A 6 9.438 -7.261 -3.334 1.00 20.00 H new ATOM 0 HD13 LEU A 6 7.738 -7.347 -2.815 1.00 20.00 H new ATOM 0 HD21 LEU A 6 6.898 -9.436 -4.918 1.00 4.53 H new ATOM 0 HD22 LEU A 6 5.955 -7.972 -4.551 1.00 4.53 H new ATOM 0 HD23 LEU A 6 6.472 -8.301 -6.222 1.00 4.53 H new ATOM 94 N SER A 7 9.513 -4.732 -7.218 1.00 65.21 N ATOM 95 CA SER A 7 9.774 -3.886 -8.377 1.00 14.13 C ATOM 96 C SER A 7 8.712 -4.095 -9.452 1.00 34.41 C ATOM 97 O SER A 7 8.405 -5.227 -9.824 1.00 73.43 O ATOM 98 CB SER A 7 11.161 -4.182 -8.950 1.00 11.33 C ATOM 99 OG SER A 7 12.039 -3.087 -8.750 1.00 71.34 O ATOM 0 H SER A 7 9.534 -5.733 -7.413 1.00 65.21 H new ATOM 0 HA SER A 7 9.738 -2.846 -8.052 1.00 14.13 H new ATOM 0 HB2 SER A 7 11.572 -5.073 -8.475 1.00 11.33 H new ATOM 0 HB3 SER A 7 11.080 -4.397 -10.015 1.00 11.33 H new ATOM 0 HG SER A 7 12.919 -3.301 -9.123 1.00 71.34 H new ATOM 105 N ALA A 8 8.154 -2.995 -9.946 1.00 42.14 N ATOM 106 CA ALA A 8 7.128 -3.057 -10.980 1.00 2.51 C ATOM 107 C ALA A 8 7.684 -3.649 -12.271 1.00 11.34 C ATOM 108 O ALA A 8 6.943 -4.207 -13.080 1.00 34.15 O ATOM 109 CB ALA A 8 6.554 -1.671 -11.237 1.00 21.12 C ATOM 0 H ALA A 8 8.395 -2.050 -9.647 1.00 42.14 H new ATOM 0 HA ALA A 8 6.330 -3.710 -10.626 1.00 2.51 H new ATOM 0 HB1 ALA A 8 5.789 -1.732 -12.011 1.00 21.12 H new ATOM 0 HB2 ALA A 8 6.111 -1.285 -10.319 1.00 21.12 H new ATOM 0 HB3 ALA A 8 7.350 -1.003 -11.565 1.00 21.12 H new ATOM 115 N LYS A 9 8.993 -3.523 -12.458 1.00 43.31 N ATOM 116 CA LYS A 9 9.650 -4.046 -13.650 1.00 53.34 C ATOM 117 C LYS A 9 10.115 -5.482 -13.430 1.00 14.41 C ATOM 118 O LYS A 9 10.605 -6.134 -14.352 1.00 10.31 O ATOM 119 CB LYS A 9 10.842 -3.165 -14.029 1.00 4.41 C ATOM 120 CG LYS A 9 11.072 -3.062 -15.527 1.00 14.12 C ATOM 121 CD LYS A 9 12.062 -4.107 -16.012 1.00 44.43 C ATOM 122 CE LYS A 9 12.847 -3.613 -17.219 1.00 35.14 C ATOM 123 NZ LYS A 9 11.967 -3.395 -18.400 1.00 61.45 N ATOM 0 H LYS A 9 9.621 -3.063 -11.799 1.00 43.31 H new ATOM 0 HA LYS A 9 8.927 -4.038 -14.465 1.00 53.34 H new ATOM 0 HB2 LYS A 9 10.687 -2.165 -13.624 1.00 4.41 H new ATOM 0 HB3 LYS A 9 11.741 -3.563 -13.559 1.00 4.41 H new ATOM 0 HG2 LYS A 9 10.124 -3.186 -16.051 1.00 14.12 H new ATOM 0 HG3 LYS A 9 11.443 -2.067 -15.771 1.00 14.12 H new ATOM 0 HD2 LYS A 9 12.752 -4.358 -15.206 1.00 44.43 H new ATOM 0 HD3 LYS A 9 11.529 -5.022 -16.272 1.00 44.43 H new ATOM 0 HE2 LYS A 9 13.354 -2.682 -16.967 1.00 35.14 H new ATOM 0 HE3 LYS A 9 13.620 -4.338 -17.471 1.00 35.14 H new ATOM 0 HZ1 LYS A 9 12.543 -3.092 -19.211 1.00 61.45 H new ATOM 0 HZ2 LYS A 9 11.477 -4.281 -18.636 1.00 61.45 H new ATOM 0 HZ3 LYS A 9 11.266 -2.660 -18.179 1.00 61.45 H new ATOM 137 N ASP A 10 9.956 -5.968 -12.204 1.00 61.20 N ATOM 138 CA ASP A 10 10.357 -7.328 -11.863 1.00 64.35 C ATOM 139 C ASP A 10 9.137 -8.226 -11.683 1.00 1.33 C ATOM 140 O ASP A 10 9.192 -9.426 -11.953 1.00 55.34 O ATOM 141 CB ASP A 10 11.201 -7.330 -10.587 1.00 55.44 C ATOM 142 CG ASP A 10 12.528 -6.620 -10.770 1.00 12.03 C ATOM 143 OD1 ASP A 10 12.544 -5.546 -11.408 1.00 22.41 O ATOM 144 OD2 ASP A 10 13.550 -7.138 -10.273 1.00 51.44 O ATOM 0 H ASP A 10 9.552 -5.441 -11.430 1.00 61.20 H new ATOM 0 HA ASP A 10 10.956 -7.720 -12.685 1.00 64.35 H new ATOM 0 HB2 ASP A 10 10.642 -6.849 -9.784 1.00 55.44 H new ATOM 0 HB3 ASP A 10 11.382 -8.359 -10.276 1.00 55.44 H new ATOM 149 N ILE A 11 8.039 -7.636 -11.223 1.00 34.33 N ATOM 150 CA ILE A 11 6.806 -8.383 -11.006 1.00 14.31 C ATOM 151 C ILE A 11 6.195 -8.832 -12.329 1.00 52.40 C ATOM 152 O ILE A 11 5.985 -10.023 -12.554 1.00 40.00 O ATOM 153 CB ILE A 11 5.769 -7.546 -10.233 1.00 4.32 C ATOM 154 CG1 ILE A 11 6.319 -7.155 -8.860 1.00 5.44 C ATOM 155 CG2 ILE A 11 4.467 -8.318 -10.087 1.00 72.13 C ATOM 156 CD1 ILE A 11 5.796 -5.829 -8.354 1.00 54.41 C ATOM 0 H ILE A 11 7.978 -6.644 -10.994 1.00 34.33 H new ATOM 0 HA ILE A 11 7.069 -9.259 -10.413 1.00 14.31 H new ATOM 0 HB ILE A 11 5.567 -6.635 -10.796 1.00 4.32 H new ATOM 0 HG12 ILE A 11 6.066 -7.934 -8.141 1.00 5.44 H new ATOM 0 HG13 ILE A 11 7.407 -7.111 -8.913 1.00 5.44 H new ATOM 0 HG21 ILE A 11 3.745 -7.713 -9.539 1.00 72.13 H new ATOM 0 HG22 ILE A 11 4.069 -8.551 -11.075 1.00 72.13 H new ATOM 0 HG23 ILE A 11 4.652 -9.244 -9.543 1.00 72.13 H new ATOM 0 HD11 ILE A 11 6.228 -5.617 -7.376 1.00 54.41 H new ATOM 0 HD12 ILE A 11 6.072 -5.039 -9.052 1.00 54.41 H new ATOM 0 HD13 ILE A 11 4.710 -5.875 -8.269 1.00 54.41 H new ATOM 168 N GLU A 12 5.913 -7.869 -13.202 1.00 4.14 N ATOM 169 CA GLU A 12 5.328 -8.166 -14.503 1.00 74.14 C ATOM 170 C GLU A 12 6.217 -9.121 -15.295 1.00 53.30 C ATOM 171 O GLU A 12 5.736 -9.881 -16.135 1.00 50.04 O ATOM 172 CB GLU A 12 5.112 -6.876 -15.297 1.00 42.21 C ATOM 173 CG GLU A 12 4.241 -5.858 -14.580 1.00 72.30 C ATOM 174 CD GLU A 12 4.142 -4.544 -15.329 1.00 44.40 C ATOM 175 OE1 GLU A 12 4.767 -4.424 -16.404 1.00 31.04 O ATOM 176 OE2 GLU A 12 3.440 -3.634 -14.840 1.00 20.02 O ATOM 0 H GLU A 12 6.080 -6.877 -13.031 1.00 4.14 H new ATOM 0 HA GLU A 12 4.364 -8.648 -14.337 1.00 74.14 H new ATOM 0 HB2 GLU A 12 6.081 -6.425 -15.512 1.00 42.21 H new ATOM 0 HB3 GLU A 12 4.655 -7.122 -16.256 1.00 42.21 H new ATOM 0 HG2 GLU A 12 3.241 -6.271 -14.446 1.00 72.30 H new ATOM 0 HG3 GLU A 12 4.647 -5.675 -13.585 1.00 72.30 H new ATOM 183 N SER A 13 7.516 -9.074 -15.020 1.00 64.44 N ATOM 184 CA SER A 13 8.474 -9.931 -15.709 1.00 63.43 C ATOM 185 C SER A 13 8.596 -11.282 -15.010 1.00 3.31 C ATOM 186 O SER A 13 9.435 -12.107 -15.372 1.00 15.15 O ATOM 187 CB SER A 13 9.844 -9.252 -15.774 1.00 73.32 C ATOM 188 OG SER A 13 10.563 -9.664 -16.924 1.00 1.14 O ATOM 0 H SER A 13 7.930 -8.452 -14.325 1.00 64.44 H new ATOM 0 HA SER A 13 8.111 -10.098 -16.723 1.00 63.43 H new ATOM 0 HB2 SER A 13 9.717 -8.170 -15.789 1.00 73.32 H new ATOM 0 HB3 SER A 13 10.416 -9.493 -14.878 1.00 73.32 H new ATOM 0 HG SER A 13 11.434 -9.215 -16.943 1.00 1.14 H new ATOM 194 N ALA A 14 7.753 -11.499 -14.006 1.00 22.22 N ATOM 195 CA ALA A 14 7.764 -12.749 -13.256 1.00 62.21 C ATOM 196 C ALA A 14 6.381 -13.391 -13.238 1.00 11.52 C ATOM 197 O ALA A 14 6.195 -14.475 -12.684 1.00 64.35 O ATOM 198 CB ALA A 14 8.256 -12.509 -11.836 1.00 55.23 C ATOM 0 H ALA A 14 7.054 -10.825 -13.693 1.00 22.22 H new ATOM 0 HA ALA A 14 8.448 -13.436 -13.754 1.00 62.21 H new ATOM 0 HB1 ALA A 14 8.259 -13.451 -11.288 1.00 55.23 H new ATOM 0 HB2 ALA A 14 9.267 -12.103 -11.865 1.00 55.23 H new ATOM 0 HB3 ALA A 14 7.595 -11.801 -11.337 1.00 55.23 H new ATOM 455 N THR A 32 14.269 -12.351 -10.825 1.00 25.32 N ATOM 456 CA THR A 32 12.883 -12.647 -10.486 1.00 24.35 C ATOM 457 C THR A 32 12.184 -11.421 -9.911 1.00 0.21 C ATOM 458 O THR A 32 12.802 -10.373 -9.721 1.00 22.34 O ATOM 459 CB THR A 32 12.788 -13.802 -9.470 1.00 52.41 C ATOM 460 OG1 THR A 32 14.073 -14.050 -8.889 1.00 34.41 O ATOM 461 CG2 THR A 32 12.274 -15.068 -10.137 1.00 75.24 C ATOM 0 HA THR A 32 12.388 -12.944 -11.410 1.00 24.35 H new ATOM 0 HB THR A 32 12.086 -13.512 -8.688 1.00 52.41 H new ATOM 0 HG1 THR A 32 14.762 -13.582 -9.406 1.00 34.41 H new ATOM 0 HG21 THR A 32 12.215 -15.869 -9.400 1.00 75.24 H new ATOM 0 HG22 THR A 32 11.283 -14.884 -10.552 1.00 75.24 H new ATOM 0 HG23 THR A 32 12.954 -15.360 -10.937 1.00 75.24 H new ATOM 469 N VAL A 33 10.891 -11.557 -9.635 1.00 72.52 N ATOM 470 CA VAL A 33 10.107 -10.460 -9.080 1.00 24.40 C ATOM 471 C VAL A 33 10.790 -9.863 -7.855 1.00 12.33 C ATOM 472 O VAL A 33 10.660 -8.671 -7.578 1.00 43.04 O ATOM 473 CB VAL A 33 8.691 -10.923 -8.690 1.00 71.24 C ATOM 474 CG1 VAL A 33 8.758 -12.134 -7.773 1.00 22.52 C ATOM 475 CG2 VAL A 33 7.922 -9.788 -8.032 1.00 50.52 C ATOM 0 H VAL A 33 10.364 -12.417 -9.787 1.00 72.52 H new ATOM 0 HA VAL A 33 10.031 -9.700 -9.857 1.00 24.40 H new ATOM 0 HB VAL A 33 8.160 -11.213 -9.597 1.00 71.24 H new ATOM 0 HG11 VAL A 33 7.748 -12.446 -7.508 1.00 22.52 H new ATOM 0 HG12 VAL A 33 9.268 -12.950 -8.285 1.00 22.52 H new ATOM 0 HG13 VAL A 33 9.307 -11.875 -6.867 1.00 22.52 H new ATOM 0 HG21 VAL A 33 6.924 -10.133 -7.763 1.00 50.52 H new ATOM 0 HG22 VAL A 33 8.448 -9.464 -7.134 1.00 50.52 H new ATOM 0 HG23 VAL A 33 7.842 -8.952 -8.727 1.00 50.52 H new ATOM 485 N GLY A 34 11.519 -10.700 -7.123 1.00 14.15 N ATOM 486 CA GLY A 34 12.212 -10.236 -5.935 1.00 33.11 C ATOM 487 C GLY A 34 11.758 -10.956 -4.681 1.00 24.45 C ATOM 488 O GLY A 34 12.563 -11.235 -3.790 1.00 52.23 O ATOM 0 H GLY A 34 11.642 -11.691 -7.331 1.00 14.15 H new ATOM 0 HA2 GLY A 34 13.285 -10.380 -6.064 1.00 33.11 H new ATOM 0 HA3 GLY A 34 12.046 -9.165 -5.816 1.00 33.11 H new ATOM 492 N LEU A 35 10.467 -11.258 -4.608 1.00 33.03 N ATOM 493 CA LEU A 35 9.906 -11.949 -3.452 1.00 25.34 C ATOM 494 C LEU A 35 10.685 -13.226 -3.151 1.00 74.30 C ATOM 495 O LEU A 35 11.155 -13.430 -2.032 1.00 10.42 O ATOM 496 CB LEU A 35 8.433 -12.282 -3.696 1.00 4.31 C ATOM 497 CG LEU A 35 7.420 -11.478 -2.881 1.00 11.23 C ATOM 498 CD1 LEU A 35 6.002 -11.930 -3.196 1.00 45.42 C ATOM 499 CD2 LEU A 35 7.706 -11.612 -1.392 1.00 73.41 C ATOM 0 H LEU A 35 9.788 -11.035 -5.336 1.00 33.03 H new ATOM 0 HA LEU A 35 9.983 -11.286 -2.591 1.00 25.34 H new ATOM 0 HB2 LEU A 35 8.218 -12.133 -4.754 1.00 4.31 H new ATOM 0 HB3 LEU A 35 8.281 -13.341 -3.485 1.00 4.31 H new ATOM 0 HG LEU A 35 7.514 -10.427 -3.155 1.00 11.23 H new ATOM 0 HD11 LEU A 35 5.295 -11.347 -2.607 1.00 45.42 H new ATOM 0 HD12 LEU A 35 5.800 -11.781 -4.257 1.00 45.42 H new ATOM 0 HD13 LEU A 35 5.894 -12.987 -2.951 1.00 45.42 H new ATOM 0 HD21 LEU A 35 6.975 -11.033 -0.828 1.00 73.41 H new ATOM 0 HD22 LEU A 35 7.641 -12.661 -1.102 1.00 73.41 H new ATOM 0 HD23 LEU A 35 8.708 -11.238 -1.179 1.00 73.41 H new ATOM 511 N SER A 36 10.818 -14.083 -4.159 1.00 0.04 N ATOM 512 CA SER A 36 11.538 -15.341 -4.002 1.00 21.32 C ATOM 513 C SER A 36 12.992 -15.090 -3.615 1.00 65.41 C ATOM 514 O SER A 36 13.675 -15.983 -3.112 1.00 43.51 O ATOM 515 CB SER A 36 11.476 -16.154 -5.297 1.00 14.34 C ATOM 516 OG SER A 36 11.558 -15.310 -6.432 1.00 71.34 O ATOM 0 H SER A 36 10.437 -13.929 -5.092 1.00 0.04 H new ATOM 0 HA SER A 36 11.060 -15.907 -3.203 1.00 21.32 H new ATOM 0 HB2 SER A 36 12.293 -16.876 -5.317 1.00 14.34 H new ATOM 0 HB3 SER A 36 10.547 -16.723 -5.329 1.00 14.34 H new ATOM 0 HG SER A 36 11.518 -15.853 -7.247 1.00 71.34 H new ATOM 522 N SER A 37 13.460 -13.869 -3.854 1.00 75.12 N ATOM 523 CA SER A 37 14.834 -13.500 -3.535 1.00 72.31 C ATOM 524 C SER A 37 14.871 -12.431 -2.447 1.00 73.23 C ATOM 525 O SER A 37 15.835 -11.674 -2.337 1.00 0.23 O ATOM 526 CB SER A 37 15.552 -12.995 -4.788 1.00 4.35 C ATOM 527 OG SER A 37 16.938 -12.824 -4.546 1.00 42.33 O ATOM 0 H SER A 37 12.907 -13.118 -4.268 1.00 75.12 H new ATOM 0 HA SER A 37 15.346 -14.388 -3.164 1.00 72.31 H new ATOM 0 HB2 SER A 37 15.406 -13.702 -5.605 1.00 4.35 H new ATOM 0 HB3 SER A 37 15.115 -12.048 -5.105 1.00 4.35 H new ATOM 0 HG SER A 37 17.065 -12.305 -3.724 1.00 42.33 H new ATOM 533 N LYS A 38 13.813 -12.376 -1.645 1.00 52.42 N ATOM 534 CA LYS A 38 13.722 -11.401 -0.564 1.00 70.33 C ATOM 535 C LYS A 38 14.033 -12.050 0.781 1.00 63.24 C ATOM 536 O LYS A 38 14.028 -13.275 0.907 1.00 22.22 O ATOM 537 CB LYS A 38 12.326 -10.776 -0.530 1.00 13.13 C ATOM 538 CG LYS A 38 12.174 -9.575 -1.447 1.00 44.21 C ATOM 539 CD LYS A 38 12.309 -8.269 -0.683 1.00 2.35 C ATOM 540 CE LYS A 38 12.285 -7.070 -1.618 1.00 53.14 C ATOM 541 NZ LYS A 38 12.729 -5.824 -0.935 1.00 44.32 N ATOM 0 H LYS A 38 13.006 -12.995 -1.723 1.00 52.42 H new ATOM 0 HA LYS A 38 14.459 -10.620 -0.750 1.00 70.33 H new ATOM 0 HB2 LYS A 38 11.592 -11.532 -0.810 1.00 13.13 H new ATOM 0 HB3 LYS A 38 12.098 -10.473 0.492 1.00 13.13 H new ATOM 0 HG2 LYS A 38 12.929 -9.618 -2.232 1.00 44.21 H new ATOM 0 HG3 LYS A 38 11.201 -9.612 -1.938 1.00 44.21 H new ATOM 0 HD2 LYS A 38 11.498 -8.184 0.040 1.00 2.35 H new ATOM 0 HD3 LYS A 38 13.241 -8.272 -0.118 1.00 2.35 H new ATOM 0 HE2 LYS A 38 12.931 -7.264 -2.474 1.00 53.14 H new ATOM 0 HE3 LYS A 38 11.275 -6.932 -2.005 1.00 53.14 H new ATOM 0 HZ1 LYS A 38 12.240 -5.006 -1.352 1.00 44.32 H new ATOM 0 HZ2 LYS A 38 12.501 -5.883 0.078 1.00 44.32 H new ATOM 0 HZ3 LYS A 38 13.756 -5.711 -1.053 1.00 44.32 H new ATOM 555 N THR A 39 14.303 -11.221 1.784 1.00 31.24 N ATOM 556 CA THR A 39 14.616 -11.714 3.120 1.00 71.23 C ATOM 557 C THR A 39 13.355 -12.164 3.849 1.00 23.31 C ATOM 558 O THR A 39 12.246 -11.720 3.554 1.00 51.52 O ATOM 559 CB THR A 39 15.327 -10.639 3.963 1.00 21.11 C ATOM 560 OG1 THR A 39 16.574 -11.146 4.453 1.00 53.13 O ATOM 561 CG2 THR A 39 14.456 -10.205 5.132 1.00 2.32 C ATOM 0 H THR A 39 14.311 -10.205 1.697 1.00 31.24 H new ATOM 0 HA THR A 39 15.283 -12.566 2.994 1.00 71.23 H new ATOM 0 HB THR A 39 15.512 -9.773 3.327 1.00 21.11 H new ATOM 0 HG1 THR A 39 16.566 -11.144 5.433 1.00 53.13 H new ATOM 0 HG21 THR A 39 14.979 -9.445 5.713 1.00 2.32 H new ATOM 0 HG22 THR A 39 13.520 -9.793 4.755 1.00 2.32 H new ATOM 0 HG23 THR A 39 14.244 -11.065 5.767 1.00 2.32 H new ATOM 569 N PRO A 40 13.527 -13.067 4.826 1.00 75.51 N ATOM 570 CA PRO A 40 12.413 -13.597 5.619 1.00 51.51 C ATOM 571 C PRO A 40 11.820 -12.550 6.556 1.00 21.13 C ATOM 572 O PRO A 40 12.017 -12.608 7.770 1.00 0.32 O ATOM 573 CB PRO A 40 13.056 -14.730 6.421 1.00 20.34 C ATOM 574 CG PRO A 40 14.496 -14.361 6.512 1.00 43.41 C ATOM 575 CD PRO A 40 14.820 -13.641 5.232 1.00 65.32 C ATOM 0 HA PRO A 40 11.582 -13.920 4.991 1.00 51.51 H new ATOM 0 HB2 PRO A 40 12.607 -14.819 7.410 1.00 20.34 H new ATOM 0 HB3 PRO A 40 12.924 -15.691 5.924 1.00 20.34 H new ATOM 0 HG2 PRO A 40 14.682 -13.723 7.376 1.00 43.41 H new ATOM 0 HG3 PRO A 40 15.119 -15.247 6.630 1.00 43.41 H new ATOM 0 HD2 PRO A 40 15.572 -12.867 5.386 1.00 65.32 H new ATOM 0 HD3 PRO A 40 15.212 -14.322 4.476 1.00 65.32 H new ATOM 583 N ASP A 41 11.094 -11.595 5.986 1.00 72.32 N ATOM 584 CA ASP A 41 10.471 -10.536 6.771 1.00 33.23 C ATOM 585 C ASP A 41 9.597 -9.649 5.890 1.00 35.04 C ATOM 586 O ASP A 41 8.476 -9.301 6.262 1.00 22.24 O ATOM 587 CB ASP A 41 11.540 -9.691 7.466 1.00 35.33 C ATOM 588 CG ASP A 41 11.062 -9.128 8.790 1.00 31.55 C ATOM 589 OD1 ASP A 41 9.849 -9.223 9.073 1.00 52.32 O ATOM 590 OD2 ASP A 41 11.901 -8.595 9.545 1.00 3.50 O ATOM 0 H ASP A 41 10.922 -11.532 4.983 1.00 72.32 H new ATOM 0 HA ASP A 41 9.839 -11.002 7.527 1.00 33.23 H new ATOM 0 HB2 ASP A 41 12.429 -10.300 7.633 1.00 35.33 H new ATOM 0 HB3 ASP A 41 11.834 -8.871 6.811 1.00 35.33 H new ATOM 595 N GLN A 42 10.117 -9.286 4.723 1.00 65.33 N ATOM 596 CA GLN A 42 9.385 -8.438 3.790 1.00 35.03 C ATOM 597 C GLN A 42 8.336 -9.244 3.030 1.00 45.21 C ATOM 598 O GLN A 42 7.338 -8.696 2.562 1.00 12.10 O ATOM 599 CB GLN A 42 10.349 -7.775 2.805 1.00 12.23 C ATOM 600 CG GLN A 42 11.501 -7.047 3.479 1.00 62.15 C ATOM 601 CD GLN A 42 11.080 -5.723 4.085 1.00 24.12 C ATOM 602 OE1 GLN A 42 10.025 -5.182 3.753 1.00 20.44 O ATOM 603 NE2 GLN A 42 11.906 -5.193 4.980 1.00 14.14 N ATOM 0 H GLN A 42 11.043 -9.566 4.400 1.00 65.33 H new ATOM 0 HA GLN A 42 8.876 -7.664 4.365 1.00 35.03 H new ATOM 0 HB2 GLN A 42 10.752 -8.535 2.136 1.00 12.23 H new ATOM 0 HB3 GLN A 42 9.795 -7.068 2.187 1.00 12.23 H new ATOM 0 HG2 GLN A 42 11.920 -7.682 4.259 1.00 62.15 H new ATOM 0 HG3 GLN A 42 12.292 -6.873 2.750 1.00 62.15 H new ATOM 0 HE21 GLN A 42 12.770 -5.676 5.225 1.00 14.14 H new ATOM 0 HE22 GLN A 42 11.676 -4.303 5.422 1.00 14.14 H new ATOM 612 N ILE A 43 8.571 -10.546 2.910 1.00 31.11 N ATOM 613 CA ILE A 43 7.646 -11.427 2.207 1.00 44.30 C ATOM 614 C ILE A 43 6.267 -11.408 2.857 1.00 22.03 C ATOM 615 O ILE A 43 5.245 -11.488 2.175 1.00 4.31 O ATOM 616 CB ILE A 43 8.166 -12.876 2.173 1.00 73.25 C ATOM 617 CG1 ILE A 43 9.556 -12.928 1.535 1.00 75.12 C ATOM 618 CG2 ILE A 43 7.195 -13.769 1.414 1.00 40.35 C ATOM 619 CD1 ILE A 43 10.216 -14.285 1.636 1.00 45.02 C ATOM 0 H ILE A 43 9.394 -11.014 3.290 1.00 31.11 H new ATOM 0 HA ILE A 43 7.568 -11.053 1.186 1.00 44.30 H new ATOM 0 HB ILE A 43 8.243 -13.243 3.197 1.00 73.25 H new ATOM 0 HG12 ILE A 43 9.475 -12.649 0.484 1.00 75.12 H new ATOM 0 HG13 ILE A 43 10.195 -12.186 2.014 1.00 75.12 H new ATOM 0 HG21 ILE A 43 7.576 -14.790 1.398 1.00 40.35 H new ATOM 0 HG22 ILE A 43 6.223 -13.752 1.907 1.00 40.35 H new ATOM 0 HG23 ILE A 43 7.089 -13.405 0.392 1.00 40.35 H new ATOM 0 HD11 ILE A 43 11.197 -14.248 1.163 1.00 45.02 H new ATOM 0 HD12 ILE A 43 10.329 -14.558 2.685 1.00 45.02 H new ATOM 0 HD13 ILE A 43 9.598 -15.028 1.132 1.00 45.02 H new ATOM 631 N LYS A 44 6.245 -11.300 4.181 1.00 20.45 N ATOM 632 CA LYS A 44 4.992 -11.268 4.926 1.00 12.40 C ATOM 633 C LYS A 44 4.222 -9.982 4.639 1.00 71.50 C ATOM 634 O LYS A 44 2.992 -9.983 4.583 1.00 50.42 O ATOM 635 CB LYS A 44 5.263 -11.387 6.427 1.00 24.53 C ATOM 636 CG LYS A 44 5.665 -10.076 7.079 1.00 5.13 C ATOM 637 CD LYS A 44 6.459 -10.307 8.354 1.00 21.22 C ATOM 638 CE LYS A 44 6.171 -9.234 9.393 1.00 72.02 C ATOM 639 NZ LYS A 44 6.249 -9.770 10.780 1.00 14.51 N ATOM 0 H LYS A 44 7.082 -11.233 4.761 1.00 20.45 H new ATOM 0 HA LYS A 44 4.386 -12.115 4.604 1.00 12.40 H new ATOM 0 HB2 LYS A 44 4.369 -11.769 6.920 1.00 24.53 H new ATOM 0 HB3 LYS A 44 6.053 -12.120 6.588 1.00 24.53 H new ATOM 0 HG2 LYS A 44 6.260 -9.489 6.380 1.00 5.13 H new ATOM 0 HG3 LYS A 44 4.773 -9.493 7.306 1.00 5.13 H new ATOM 0 HD2 LYS A 44 6.214 -11.287 8.764 1.00 21.22 H new ATOM 0 HD3 LYS A 44 7.524 -10.315 8.124 1.00 21.22 H new ATOM 0 HE2 LYS A 44 6.884 -8.417 9.279 1.00 72.02 H new ATOM 0 HE3 LYS A 44 5.179 -8.818 9.220 1.00 72.02 H new ATOM 0 HZ1 LYS A 44 6.047 -9.008 11.458 1.00 14.51 H new ATOM 0 HZ2 LYS A 44 5.552 -10.532 10.897 1.00 14.51 H new ATOM 0 HZ3 LYS A 44 7.204 -10.144 10.954 1.00 14.51 H new ATOM 653 N LYS A 45 4.953 -8.888 4.457 1.00 62.24 N ATOM 654 CA LYS A 45 4.340 -7.596 4.172 1.00 21.23 C ATOM 655 C LYS A 45 3.711 -7.587 2.783 1.00 54.41 C ATOM 656 O LYS A 45 2.898 -6.718 2.465 1.00 60.34 O ATOM 657 CB LYS A 45 5.381 -6.480 4.280 1.00 43.22 C ATOM 658 CG LYS A 45 5.695 -6.076 5.710 1.00 14.01 C ATOM 659 CD LYS A 45 6.816 -6.918 6.294 1.00 23.23 C ATOM 660 CE LYS A 45 7.857 -6.055 6.991 1.00 14.23 C ATOM 661 NZ LYS A 45 8.468 -5.065 6.062 1.00 1.43 N ATOM 0 H LYS A 45 5.972 -8.870 4.502 1.00 62.24 H new ATOM 0 HA LYS A 45 3.555 -7.424 4.908 1.00 21.23 H new ATOM 0 HB2 LYS A 45 6.301 -6.804 3.793 1.00 43.22 H new ATOM 0 HB3 LYS A 45 5.023 -5.607 3.735 1.00 43.22 H new ATOM 0 HG2 LYS A 45 5.977 -5.023 5.738 1.00 14.01 H new ATOM 0 HG3 LYS A 45 4.801 -6.183 6.324 1.00 14.01 H new ATOM 0 HD2 LYS A 45 6.402 -7.635 7.003 1.00 23.23 H new ATOM 0 HD3 LYS A 45 7.292 -7.494 5.500 1.00 23.23 H new ATOM 0 HE2 LYS A 45 7.394 -5.531 7.827 1.00 14.23 H new ATOM 0 HE3 LYS A 45 8.637 -6.692 7.407 1.00 14.23 H new ATOM 0 HZ1 LYS A 45 9.324 -4.664 6.496 1.00 1.43 H new ATOM 0 HZ2 LYS A 45 8.721 -5.536 5.170 1.00 1.43 H new ATOM 0 HZ3 LYS A 45 7.787 -4.303 5.870 1.00 1.43 H new ATOM 675 N VAL A 46 4.090 -8.559 1.959 1.00 1.34 N ATOM 676 CA VAL A 46 3.561 -8.663 0.605 1.00 34.40 C ATOM 677 C VAL A 46 2.305 -9.528 0.571 1.00 43.10 C ATOM 678 O VAL A 46 1.495 -9.429 -0.351 1.00 64.30 O ATOM 679 CB VAL A 46 4.604 -9.255 -0.361 1.00 42.44 C ATOM 680 CG1 VAL A 46 4.014 -9.411 -1.754 1.00 72.05 C ATOM 681 CG2 VAL A 46 5.851 -8.384 -0.396 1.00 51.44 C ATOM 0 H VAL A 46 4.762 -9.286 2.206 1.00 1.34 H new ATOM 0 HA VAL A 46 3.312 -7.652 0.284 1.00 34.40 H new ATOM 0 HB VAL A 46 4.888 -10.244 -0.000 1.00 42.44 H new ATOM 0 HG11 VAL A 46 4.766 -9.831 -2.423 1.00 72.05 H new ATOM 0 HG12 VAL A 46 3.153 -10.078 -1.712 1.00 72.05 H new ATOM 0 HG13 VAL A 46 3.700 -8.436 -2.127 1.00 72.05 H new ATOM 0 HG21 VAL A 46 6.578 -8.817 -1.083 1.00 51.44 H new ATOM 0 HG22 VAL A 46 5.585 -7.382 -0.732 1.00 51.44 H new ATOM 0 HG23 VAL A 46 6.284 -8.329 0.603 1.00 51.44 H new ATOM 691 N PHE A 47 2.150 -10.375 1.583 1.00 73.44 N ATOM 692 CA PHE A 47 0.993 -11.259 1.669 1.00 55.41 C ATOM 693 C PHE A 47 -0.225 -10.509 2.202 1.00 71.30 C ATOM 694 O PHE A 47 -1.365 -10.887 1.937 1.00 74.31 O ATOM 695 CB PHE A 47 1.304 -12.455 2.570 1.00 32.40 C ATOM 696 CG PHE A 47 0.126 -12.919 3.378 1.00 20.45 C ATOM 697 CD1 PHE A 47 -0.908 -13.622 2.780 1.00 10.54 C ATOM 698 CD2 PHE A 47 0.053 -12.654 4.736 1.00 2.04 C ATOM 699 CE1 PHE A 47 -1.993 -14.049 3.522 1.00 52.10 C ATOM 700 CE2 PHE A 47 -1.029 -13.079 5.483 1.00 34.22 C ATOM 701 CZ PHE A 47 -2.053 -13.779 4.875 1.00 15.52 C ATOM 0 H PHE A 47 2.810 -10.468 2.355 1.00 73.44 H new ATOM 0 HA PHE A 47 0.766 -11.619 0.665 1.00 55.41 H new ATOM 0 HB2 PHE A 47 1.660 -13.281 1.954 1.00 32.40 H new ATOM 0 HB3 PHE A 47 2.116 -12.189 3.246 1.00 32.40 H new ATOM 0 HD1 PHE A 47 -0.865 -13.838 1.723 1.00 10.54 H new ATOM 0 HD2 PHE A 47 0.852 -12.109 5.217 1.00 2.04 H new ATOM 0 HE1 PHE A 47 -2.794 -14.594 3.044 1.00 52.10 H new ATOM 0 HE2 PHE A 47 -1.074 -12.864 6.540 1.00 34.22 H new ATOM 0 HZ PHE A 47 -2.899 -14.114 5.457 1.00 15.52 H new ATOM 711 N GLY A 48 0.027 -9.444 2.957 1.00 54.35 N ATOM 712 CA GLY A 48 -1.058 -8.658 3.516 1.00 23.10 C ATOM 713 C GLY A 48 -1.771 -7.826 2.469 1.00 1.30 C ATOM 714 O GLY A 48 -2.803 -7.215 2.749 1.00 21.34 O ATOM 0 H GLY A 48 0.962 -9.112 3.191 1.00 54.35 H new ATOM 0 HA2 GLY A 48 -1.775 -9.324 3.996 1.00 23.10 H new ATOM 0 HA3 GLY A 48 -0.664 -8.001 4.291 1.00 23.10 H new ATOM 718 N ILE A 49 -1.220 -7.799 1.260 1.00 24.34 N ATOM 719 CA ILE A 49 -1.810 -7.035 0.169 1.00 41.13 C ATOM 720 C ILE A 49 -2.705 -7.915 -0.697 1.00 52.43 C ATOM 721 O ILE A 49 -3.464 -7.418 -1.531 1.00 2.53 O ATOM 722 CB ILE A 49 -0.727 -6.393 -0.719 1.00 13.33 C ATOM 723 CG1 ILE A 49 0.325 -5.697 0.146 1.00 5.25 C ATOM 724 CG2 ILE A 49 -1.356 -5.407 -1.692 1.00 73.22 C ATOM 725 CD1 ILE A 49 1.468 -5.107 -0.650 1.00 24.11 C ATOM 0 H ILE A 49 -0.366 -8.298 1.012 1.00 24.34 H new ATOM 0 HA ILE A 49 -2.410 -6.247 0.624 1.00 41.13 H new ATOM 0 HB ILE A 49 -0.237 -7.179 -1.294 1.00 13.33 H new ATOM 0 HG12 ILE A 49 -0.155 -4.904 0.720 1.00 5.25 H new ATOM 0 HG13 ILE A 49 0.725 -6.413 0.864 1.00 5.25 H new ATOM 0 HG21 ILE A 49 -0.578 -4.962 -2.312 1.00 73.22 H new ATOM 0 HG22 ILE A 49 -2.072 -5.929 -2.327 1.00 73.22 H new ATOM 0 HG23 ILE A 49 -1.869 -4.623 -1.135 1.00 73.22 H new ATOM 0 HD11 ILE A 49 2.175 -4.630 0.028 1.00 24.11 H new ATOM 0 HD12 ILE A 49 1.973 -5.899 -1.203 1.00 24.11 H new ATOM 0 HD13 ILE A 49 1.080 -4.367 -1.350 1.00 24.11 H new ATOM 737 N LEU A 50 -2.613 -9.224 -0.494 1.00 33.13 N ATOM 738 CA LEU A 50 -3.417 -10.175 -1.255 1.00 4.14 C ATOM 739 C LEU A 50 -4.823 -10.286 -0.675 1.00 21.44 C ATOM 740 O LEU A 50 -5.812 -10.053 -1.369 1.00 71.24 O ATOM 741 CB LEU A 50 -2.745 -11.549 -1.262 1.00 30.23 C ATOM 742 CG LEU A 50 -1.216 -11.549 -1.228 1.00 33.53 C ATOM 743 CD1 LEU A 50 -0.681 -12.970 -1.313 1.00 63.24 C ATOM 744 CD2 LEU A 50 -0.658 -10.698 -2.358 1.00 44.23 C ATOM 0 H LEU A 50 -1.990 -9.652 0.191 1.00 33.13 H new ATOM 0 HA LEU A 50 -3.495 -9.810 -2.279 1.00 4.14 H new ATOM 0 HB2 LEU A 50 -3.108 -12.113 -0.402 1.00 30.23 H new ATOM 0 HB3 LEU A 50 -3.069 -12.085 -2.154 1.00 30.23 H new ATOM 0 HG LEU A 50 -0.892 -11.117 -0.281 1.00 33.53 H new ATOM 0 HD11 LEU A 50 0.409 -12.951 -1.287 1.00 63.24 H new ATOM 0 HD12 LEU A 50 -1.054 -13.550 -0.469 1.00 63.24 H new ATOM 0 HD13 LEU A 50 -1.014 -13.429 -2.244 1.00 63.24 H new ATOM 0 HD21 LEU A 50 0.431 -10.709 -2.318 1.00 44.23 H new ATOM 0 HD22 LEU A 50 -0.991 -11.100 -3.315 1.00 44.23 H new ATOM 0 HD23 LEU A 50 -1.014 -9.673 -2.252 1.00 44.23 H new ATOM 756 N ASP A 51 -4.904 -10.642 0.603 1.00 62.22 N ATOM 757 CA ASP A 51 -6.189 -10.781 1.278 1.00 61.42 C ATOM 758 C ASP A 51 -7.057 -9.548 1.053 1.00 53.42 C ATOM 759 O ASP A 51 -6.574 -8.513 0.595 1.00 51.34 O ATOM 760 CB ASP A 51 -5.980 -11.007 2.776 1.00 33.11 C ATOM 761 CG ASP A 51 -7.087 -11.838 3.396 1.00 45.00 C ATOM 762 OD1 ASP A 51 -8.114 -12.057 2.721 1.00 71.05 O ATOM 763 OD2 ASP A 51 -6.924 -12.270 4.556 1.00 15.12 O ATOM 0 H ASP A 51 -4.095 -10.839 1.192 1.00 62.22 H new ATOM 0 HA ASP A 51 -6.702 -11.645 0.856 1.00 61.42 H new ATOM 0 HB2 ASP A 51 -5.023 -11.504 2.935 1.00 33.11 H new ATOM 0 HB3 ASP A 51 -5.926 -10.043 3.282 1.00 33.11 H new ATOM 768 N GLN A 52 -8.341 -9.666 1.377 1.00 22.32 N ATOM 769 CA GLN A 52 -9.276 -8.561 1.208 1.00 13.24 C ATOM 770 C GLN A 52 -9.901 -8.168 2.543 1.00 52.21 C ATOM 771 O GLN A 52 -9.799 -7.019 2.973 1.00 1.20 O ATOM 772 CB GLN A 52 -10.372 -8.940 0.211 1.00 71.03 C ATOM 773 CG GLN A 52 -10.658 -10.432 0.159 1.00 64.23 C ATOM 774 CD GLN A 52 -12.096 -10.739 -0.209 1.00 11.33 C ATOM 775 OE1 GLN A 52 -12.971 -10.799 0.656 1.00 4.41 O ATOM 776 NE2 GLN A 52 -12.349 -10.935 -1.497 1.00 53.24 N ATOM 0 H GLN A 52 -8.757 -10.516 1.758 1.00 22.32 H new ATOM 0 HA GLN A 52 -8.722 -7.706 0.821 1.00 13.24 H new ATOM 0 HB2 GLN A 52 -11.289 -8.412 0.473 1.00 71.03 H new ATOM 0 HB3 GLN A 52 -10.081 -8.599 -0.783 1.00 71.03 H new ATOM 0 HG2 GLN A 52 -9.993 -10.900 -0.567 1.00 64.23 H new ATOM 0 HG3 GLN A 52 -10.433 -10.875 1.129 1.00 64.23 H new ATOM 0 HE21 GLN A 52 -11.594 -10.876 -2.180 1.00 53.24 H new ATOM 0 HE22 GLN A 52 -13.299 -11.145 -1.804 1.00 53.24 H new ATOM 837 N PHE A 57 -6.104 -15.361 7.622 1.00 65.33 N ATOM 838 CA PHE A 57 -5.653 -16.408 6.712 1.00 31.42 C ATOM 839 C PHE A 57 -6.533 -16.463 5.467 1.00 51.42 C ATOM 840 O PHE A 57 -7.749 -16.632 5.560 1.00 31.12 O ATOM 841 CB PHE A 57 -5.665 -17.766 7.418 1.00 45.00 C ATOM 842 CG PHE A 57 -4.908 -17.773 8.715 1.00 20.45 C ATOM 843 CD1 PHE A 57 -5.536 -17.426 9.901 1.00 41.33 C ATOM 844 CD2 PHE A 57 -3.569 -18.129 8.750 1.00 12.41 C ATOM 845 CE1 PHE A 57 -4.842 -17.431 11.096 1.00 43.02 C ATOM 846 CE2 PHE A 57 -2.870 -18.136 9.942 1.00 20.14 C ATOM 847 CZ PHE A 57 -3.508 -17.788 11.117 1.00 44.21 C ATOM 0 HA PHE A 57 -4.634 -16.174 6.405 1.00 31.42 H new ATOM 0 HB2 PHE A 57 -6.698 -18.059 7.607 1.00 45.00 H new ATOM 0 HB3 PHE A 57 -5.238 -18.516 6.753 1.00 45.00 H new ATOM 0 HD1 PHE A 57 -6.580 -17.149 9.891 1.00 41.33 H new ATOM 0 HD2 PHE A 57 -3.066 -18.404 7.835 1.00 12.41 H new ATOM 0 HE1 PHE A 57 -5.342 -17.156 12.013 1.00 43.02 H new ATOM 0 HE2 PHE A 57 -1.826 -18.413 9.955 1.00 20.14 H new ATOM 0 HZ PHE A 57 -2.965 -17.795 12.050 1.00 44.21 H new ATOM 857 N ILE A 58 -5.910 -16.317 4.303 1.00 44.25 N ATOM 858 CA ILE A 58 -6.635 -16.350 3.039 1.00 51.43 C ATOM 859 C ILE A 58 -7.054 -17.772 2.682 1.00 15.33 C ATOM 860 O ILE A 58 -6.212 -18.633 2.431 1.00 10.34 O ATOM 861 CB ILE A 58 -5.789 -15.772 1.889 1.00 61.43 C ATOM 862 CG1 ILE A 58 -5.775 -14.244 1.954 1.00 51.21 C ATOM 863 CG2 ILE A 58 -6.326 -16.246 0.546 1.00 12.04 C ATOM 864 CD1 ILE A 58 -4.696 -13.612 1.103 1.00 62.43 C ATOM 0 H ILE A 58 -4.904 -16.175 4.209 1.00 44.25 H new ATOM 0 HA ILE A 58 -7.525 -15.734 3.170 1.00 51.43 H new ATOM 0 HB ILE A 58 -4.765 -16.130 1.996 1.00 61.43 H new ATOM 0 HG12 ILE A 58 -6.746 -13.866 1.634 1.00 51.21 H new ATOM 0 HG13 ILE A 58 -5.637 -13.934 2.990 1.00 51.21 H new ATOM 0 HG21 ILE A 58 -5.718 -15.829 -0.257 1.00 12.04 H new ATOM 0 HG22 ILE A 58 -6.288 -17.334 0.503 1.00 12.04 H new ATOM 0 HG23 ILE A 58 -7.358 -15.914 0.429 1.00 12.04 H new ATOM 0 HD11 ILE A 58 -4.746 -12.527 1.198 1.00 62.43 H new ATOM 0 HD12 ILE A 58 -3.719 -13.961 1.437 1.00 62.43 H new ATOM 0 HD13 ILE A 58 -4.845 -13.892 0.060 1.00 62.43 H new ATOM 876 N GLU A 59 -8.362 -18.009 2.660 1.00 33.45 N ATOM 877 CA GLU A 59 -8.893 -19.328 2.333 1.00 10.44 C ATOM 878 C GLU A 59 -8.922 -19.543 0.823 1.00 50.01 C ATOM 879 O GLU A 59 -8.739 -18.604 0.049 1.00 74.23 O ATOM 880 CB GLU A 59 -10.301 -19.493 2.910 1.00 4.42 C ATOM 881 CG GLU A 59 -10.434 -18.999 4.341 1.00 41.41 C ATOM 882 CD GLU A 59 -11.329 -17.780 4.456 1.00 31.13 C ATOM 883 OE1 GLU A 59 -12.376 -17.748 3.776 1.00 12.52 O ATOM 884 OE2 GLU A 59 -10.983 -16.860 5.226 1.00 51.43 O ATOM 0 H GLU A 59 -9.073 -17.306 2.864 1.00 33.45 H new ATOM 0 HA GLU A 59 -8.236 -20.076 2.777 1.00 10.44 H new ATOM 0 HB2 GLU A 59 -11.008 -18.952 2.281 1.00 4.42 H new ATOM 0 HB3 GLU A 59 -10.580 -20.546 2.871 1.00 4.42 H new ATOM 0 HG2 GLU A 59 -10.835 -19.800 4.962 1.00 41.41 H new ATOM 0 HG3 GLU A 59 -9.445 -18.758 4.732 1.00 41.41 H new ATOM 891 N GLU A 60 -9.152 -20.786 0.413 1.00 72.34 N ATOM 892 CA GLU A 60 -9.204 -21.125 -1.005 1.00 25.13 C ATOM 893 C GLU A 60 -10.139 -20.182 -1.756 1.00 35.51 C ATOM 894 O GLU A 60 -9.952 -19.923 -2.944 1.00 73.00 O ATOM 895 CB GLU A 60 -9.664 -22.573 -1.190 1.00 3.44 C ATOM 896 CG GLU A 60 -9.526 -23.078 -2.616 1.00 2.31 C ATOM 897 CD GLU A 60 -10.810 -22.940 -3.410 1.00 40.44 C ATOM 898 OE1 GLU A 60 -11.881 -23.285 -2.870 1.00 15.14 O ATOM 899 OE2 GLU A 60 -10.744 -22.487 -4.572 1.00 42.22 O ATOM 0 H GLU A 60 -9.305 -21.575 1.041 1.00 72.34 H new ATOM 0 HA GLU A 60 -8.200 -21.016 -1.415 1.00 25.13 H new ATOM 0 HB2 GLU A 60 -9.085 -23.217 -0.528 1.00 3.44 H new ATOM 0 HB3 GLU A 60 -10.707 -22.656 -0.883 1.00 3.44 H new ATOM 0 HG2 GLU A 60 -8.732 -22.526 -3.118 1.00 2.31 H new ATOM 0 HG3 GLU A 60 -9.224 -24.125 -2.599 1.00 2.31 H new ATOM 906 N GLU A 61 -11.147 -19.674 -1.053 1.00 71.42 N ATOM 907 CA GLU A 61 -12.113 -18.762 -1.654 1.00 61.01 C ATOM 908 C GLU A 61 -11.438 -17.464 -2.087 1.00 53.43 C ATOM 909 O GLU A 61 -11.641 -16.991 -3.205 1.00 44.40 O ATOM 910 CB GLU A 61 -13.243 -18.458 -0.668 1.00 22.20 C ATOM 911 CG GLU A 61 -13.899 -19.702 -0.092 1.00 51.23 C ATOM 912 CD GLU A 61 -14.387 -20.654 -1.167 1.00 33.24 C ATOM 913 OE1 GLU A 61 -14.648 -20.192 -2.297 1.00 5.42 O ATOM 914 OE2 GLU A 61 -14.509 -21.863 -0.876 1.00 42.13 O ATOM 0 H GLU A 61 -11.315 -19.878 -0.068 1.00 71.42 H new ATOM 0 HA GLU A 61 -12.531 -19.246 -2.536 1.00 61.01 H new ATOM 0 HB2 GLU A 61 -12.848 -17.854 0.149 1.00 22.20 H new ATOM 0 HB3 GLU A 61 -14.001 -17.857 -1.171 1.00 22.20 H new ATOM 0 HG2 GLU A 61 -13.187 -20.220 0.551 1.00 51.23 H new ATOM 0 HG3 GLU A 61 -14.740 -19.407 0.536 1.00 51.23 H new ATOM 921 N GLU A 62 -10.637 -16.893 -1.193 1.00 64.23 N ATOM 922 CA GLU A 62 -9.934 -15.649 -1.483 1.00 4.12 C ATOM 923 C GLU A 62 -8.593 -15.926 -2.157 1.00 40.32 C ATOM 924 O GLU A 62 -7.889 -15.002 -2.569 1.00 35.14 O ATOM 925 CB GLU A 62 -9.714 -14.850 -0.196 1.00 54.24 C ATOM 926 CG GLU A 62 -10.563 -13.593 -0.109 1.00 15.24 C ATOM 927 CD GLU A 62 -12.000 -13.885 0.278 1.00 33.21 C ATOM 928 OE1 GLU A 62 -12.813 -14.163 -0.629 1.00 12.24 O ATOM 929 OE2 GLU A 62 -12.312 -13.836 1.486 1.00 21.22 O ATOM 0 H GLU A 62 -10.459 -17.272 -0.263 1.00 64.23 H new ATOM 0 HA GLU A 62 -10.550 -15.064 -2.165 1.00 4.12 H new ATOM 0 HB2 GLU A 62 -9.935 -15.488 0.660 1.00 54.24 H new ATOM 0 HB3 GLU A 62 -8.662 -14.574 -0.125 1.00 54.24 H new ATOM 0 HG2 GLU A 62 -10.125 -12.913 0.622 1.00 15.24 H new ATOM 0 HG3 GLU A 62 -10.547 -13.081 -1.071 1.00 15.24 H new ATOM 936 N LEU A 63 -8.245 -17.203 -2.267 1.00 32.15 N ATOM 937 CA LEU A 63 -6.989 -17.603 -2.890 1.00 63.34 C ATOM 938 C LEU A 63 -7.091 -17.538 -4.411 1.00 22.40 C ATOM 939 O LEU A 63 -6.087 -17.373 -5.103 1.00 4.02 O ATOM 940 CB LEU A 63 -6.608 -19.019 -2.453 1.00 43.14 C ATOM 941 CG LEU A 63 -5.123 -19.373 -2.547 1.00 32.43 C ATOM 942 CD1 LEU A 63 -4.310 -18.523 -1.583 1.00 22.51 C ATOM 943 CD2 LEU A 63 -4.910 -20.854 -2.266 1.00 3.30 C ATOM 0 H LEU A 63 -8.816 -17.980 -1.933 1.00 32.15 H new ATOM 0 HA LEU A 63 -6.214 -16.909 -2.566 1.00 63.34 H new ATOM 0 HB2 LEU A 63 -6.930 -19.158 -1.421 1.00 43.14 H new ATOM 0 HB3 LEU A 63 -7.170 -19.729 -3.060 1.00 43.14 H new ATOM 0 HG LEU A 63 -4.782 -19.163 -3.561 1.00 32.43 H new ATOM 0 HD11 LEU A 63 -3.256 -18.789 -1.664 1.00 22.51 H new ATOM 0 HD12 LEU A 63 -4.439 -17.469 -1.830 1.00 22.51 H new ATOM 0 HD13 LEU A 63 -4.652 -18.701 -0.563 1.00 22.51 H new ATOM 0 HD21 LEU A 63 -3.848 -21.089 -2.337 1.00 3.30 H new ATOM 0 HD22 LEU A 63 -5.267 -21.089 -1.263 1.00 3.30 H new ATOM 0 HD23 LEU A 63 -5.462 -21.446 -2.996 1.00 3.30 H new ATOM 955 N GLN A 64 -8.310 -17.668 -4.923 1.00 55.21 N ATOM 956 CA GLN A 64 -8.543 -17.622 -6.362 1.00 31.22 C ATOM 957 C GLN A 64 -8.301 -16.219 -6.908 1.00 64.22 C ATOM 958 O GLN A 64 -8.373 -15.991 -8.117 1.00 22.05 O ATOM 959 CB GLN A 64 -9.971 -18.068 -6.683 1.00 43.12 C ATOM 960 CG GLN A 64 -11.021 -17.014 -6.373 1.00 35.11 C ATOM 961 CD GLN A 64 -12.433 -17.507 -6.622 1.00 53.31 C ATOM 962 OE1 GLN A 64 -13.312 -17.363 -5.772 1.00 15.20 O ATOM 963 NE2 GLN A 64 -12.659 -18.092 -7.793 1.00 25.04 N ATOM 0 H GLN A 64 -9.152 -17.806 -4.363 1.00 55.21 H new ATOM 0 HA GLN A 64 -7.840 -18.304 -6.841 1.00 31.22 H new ATOM 0 HB2 GLN A 64 -10.032 -18.330 -7.739 1.00 43.12 H new ATOM 0 HB3 GLN A 64 -10.197 -18.972 -6.117 1.00 43.12 H new ATOM 0 HG2 GLN A 64 -10.926 -16.707 -5.332 1.00 35.11 H new ATOM 0 HG3 GLN A 64 -10.835 -16.131 -6.984 1.00 35.11 H new ATOM 0 HE21 GLN A 64 -11.901 -18.190 -8.469 1.00 25.04 H new ATOM 0 HE22 GLN A 64 -13.590 -18.443 -8.017 1.00 25.04 H new ATOM 972 N LEU A 65 -8.013 -15.282 -6.012 1.00 34.04 N ATOM 973 CA LEU A 65 -7.760 -13.900 -6.404 1.00 13.13 C ATOM 974 C LEU A 65 -6.271 -13.579 -6.336 1.00 2.43 C ATOM 975 O LEU A 65 -5.878 -12.413 -6.294 1.00 43.54 O ATOM 976 CB LEU A 65 -8.542 -12.942 -5.503 1.00 20.12 C ATOM 977 CG LEU A 65 -9.973 -13.359 -5.162 1.00 10.03 C ATOM 978 CD1 LEU A 65 -10.497 -12.553 -3.983 1.00 72.22 C ATOM 979 CD2 LEU A 65 -10.880 -13.190 -6.372 1.00 15.15 C ATOM 0 H LEU A 65 -7.949 -15.454 -5.009 1.00 34.04 H new ATOM 0 HA LEU A 65 -8.093 -13.773 -7.434 1.00 13.13 H new ATOM 0 HB2 LEU A 65 -7.989 -12.818 -4.572 1.00 20.12 H new ATOM 0 HB3 LEU A 65 -8.575 -11.966 -5.986 1.00 20.12 H new ATOM 0 HG LEU A 65 -9.968 -14.412 -4.882 1.00 10.03 H new ATOM 0 HD11 LEU A 65 -11.517 -12.863 -3.755 1.00 72.22 H new ATOM 0 HD12 LEU A 65 -9.862 -12.725 -3.114 1.00 72.22 H new ATOM 0 HD13 LEU A 65 -10.488 -11.492 -4.235 1.00 72.22 H new ATOM 0 HD21 LEU A 65 -11.894 -13.491 -6.111 1.00 15.15 H new ATOM 0 HD22 LEU A 65 -10.881 -12.145 -6.683 1.00 15.15 H new ATOM 0 HD23 LEU A 65 -10.516 -13.812 -7.190 1.00 15.15 H new ATOM 991 N PHE A 66 -5.446 -14.620 -6.326 1.00 61.44 N ATOM 992 CA PHE A 66 -3.999 -14.449 -6.265 1.00 20.42 C ATOM 993 C PHE A 66 -3.480 -13.754 -7.520 1.00 4.12 C ATOM 994 O PHE A 66 -2.448 -13.081 -7.489 1.00 15.20 O ATOM 995 CB PHE A 66 -3.310 -15.806 -6.098 1.00 15.43 C ATOM 996 CG PHE A 66 -1.811 -15.724 -6.122 1.00 1.54 C ATOM 997 CD1 PHE A 66 -1.107 -15.337 -4.993 1.00 21.25 C ATOM 998 CD2 PHE A 66 -1.105 -16.032 -7.273 1.00 74.25 C ATOM 999 CE1 PHE A 66 0.273 -15.261 -5.011 1.00 21.10 C ATOM 1000 CE2 PHE A 66 0.275 -15.958 -7.298 1.00 35.32 C ATOM 1001 CZ PHE A 66 0.965 -15.571 -6.166 1.00 35.14 C ATOM 0 H PHE A 66 -5.755 -15.592 -6.359 1.00 61.44 H new ATOM 0 HA PHE A 66 -3.768 -13.823 -5.403 1.00 20.42 H new ATOM 0 HB2 PHE A 66 -3.626 -16.252 -5.155 1.00 15.43 H new ATOM 0 HB3 PHE A 66 -3.642 -16.473 -6.893 1.00 15.43 H new ATOM 0 HD1 PHE A 66 -1.643 -15.092 -4.088 1.00 21.25 H new ATOM 0 HD2 PHE A 66 -1.639 -16.334 -8.162 1.00 74.25 H new ATOM 0 HE1 PHE A 66 0.810 -14.960 -4.123 1.00 21.10 H new ATOM 0 HE2 PHE A 66 0.813 -16.203 -8.202 1.00 35.32 H new ATOM 0 HZ PHE A 66 2.043 -15.511 -6.184 1.00 35.14 H new ATOM 1011 N LEU A 67 -4.200 -13.922 -8.623 1.00 15.20 N ATOM 1012 CA LEU A 67 -3.813 -13.311 -9.890 1.00 75.21 C ATOM 1013 C LEU A 67 -4.326 -11.877 -9.983 1.00 22.54 C ATOM 1014 O LEU A 67 -4.156 -11.210 -11.003 1.00 62.33 O ATOM 1015 CB LEU A 67 -4.353 -14.134 -11.061 1.00 70.22 C ATOM 1016 CG LEU A 67 -3.520 -15.351 -11.467 1.00 13.15 C ATOM 1017 CD1 LEU A 67 -4.255 -16.176 -12.511 1.00 61.53 C ATOM 1018 CD2 LEU A 67 -2.159 -14.915 -11.989 1.00 21.42 C ATOM 0 H LEU A 67 -5.055 -14.476 -8.666 1.00 15.20 H new ATOM 0 HA LEU A 67 -2.724 -13.292 -9.938 1.00 75.21 H new ATOM 0 HB2 LEU A 67 -5.357 -14.474 -10.807 1.00 70.22 H new ATOM 0 HB3 LEU A 67 -4.448 -13.478 -11.927 1.00 70.22 H new ATOM 0 HG LEU A 67 -3.366 -15.973 -10.585 1.00 13.15 H new ATOM 0 HD11 LEU A 67 -3.647 -17.038 -12.788 1.00 61.53 H new ATOM 0 HD12 LEU A 67 -5.205 -16.519 -12.101 1.00 61.53 H new ATOM 0 HD13 LEU A 67 -4.440 -15.564 -13.394 1.00 61.53 H new ATOM 0 HD21 LEU A 67 -1.580 -15.794 -12.273 1.00 21.42 H new ATOM 0 HD22 LEU A 67 -2.292 -14.271 -12.858 1.00 21.42 H new ATOM 0 HD23 LEU A 67 -1.629 -14.367 -11.210 1.00 21.42 H new ATOM 1030 N LYS A 68 -4.952 -11.408 -8.909 1.00 33.21 N ATOM 1031 CA LYS A 68 -5.487 -10.052 -8.866 1.00 22.30 C ATOM 1032 C LYS A 68 -4.508 -9.103 -8.183 1.00 44.22 C ATOM 1033 O LYS A 68 -4.612 -7.885 -8.320 1.00 51.32 O ATOM 1034 CB LYS A 68 -6.829 -10.034 -8.130 1.00 65.01 C ATOM 1035 CG LYS A 68 -7.840 -11.021 -8.685 1.00 73.45 C ATOM 1036 CD LYS A 68 -8.384 -10.566 -10.029 1.00 61.34 C ATOM 1037 CE LYS A 68 -9.874 -10.271 -9.957 1.00 32.41 C ATOM 1038 NZ LYS A 68 -10.376 -9.640 -11.209 1.00 12.14 N ATOM 0 H LYS A 68 -5.101 -11.947 -8.056 1.00 33.21 H new ATOM 0 HA LYS A 68 -5.638 -9.715 -9.892 1.00 22.30 H new ATOM 0 HB2 LYS A 68 -6.659 -10.255 -7.076 1.00 65.01 H new ATOM 0 HB3 LYS A 68 -7.249 -9.029 -8.181 1.00 65.01 H new ATOM 0 HG2 LYS A 68 -7.373 -12.000 -8.793 1.00 73.45 H new ATOM 0 HG3 LYS A 68 -8.662 -11.137 -7.979 1.00 73.45 H new ATOM 0 HD2 LYS A 68 -7.851 -9.673 -10.355 1.00 61.34 H new ATOM 0 HD3 LYS A 68 -8.201 -11.338 -10.777 1.00 61.34 H new ATOM 0 HE2 LYS A 68 -10.419 -11.197 -9.773 1.00 32.41 H new ATOM 0 HE3 LYS A 68 -10.073 -9.611 -9.113 1.00 32.41 H new ATOM 0 HZ1 LYS A 68 -11.395 -9.455 -11.120 1.00 12.14 H new ATOM 0 HZ2 LYS A 68 -9.874 -8.744 -11.371 1.00 12.14 H new ATOM 0 HZ3 LYS A 68 -10.209 -10.280 -12.011 1.00 12.14 H new ATOM 1052 N ASN A 69 -3.556 -9.669 -7.449 1.00 24.22 N ATOM 1053 CA ASN A 69 -2.557 -8.872 -6.745 1.00 61.35 C ATOM 1054 C ASN A 69 -1.355 -8.592 -7.642 1.00 41.22 C ATOM 1055 O ASN A 69 -0.567 -7.684 -7.376 1.00 62.03 O ATOM 1056 CB ASN A 69 -2.102 -9.593 -5.475 1.00 12.45 C ATOM 1057 CG ASN A 69 -3.217 -10.398 -4.836 1.00 71.43 C ATOM 1058 OD1 ASN A 69 -3.039 -11.570 -4.503 1.00 61.11 O ATOM 1059 ND2 ASN A 69 -4.375 -9.772 -4.663 1.00 72.13 N ATOM 0 H ASN A 69 -3.455 -10.676 -7.326 1.00 24.22 H new ATOM 0 HA ASN A 69 -3.014 -7.921 -6.471 1.00 61.35 H new ATOM 0 HB2 ASN A 69 -1.271 -10.256 -5.715 1.00 12.45 H new ATOM 0 HB3 ASN A 69 -1.730 -8.861 -4.758 1.00 12.45 H new ATOM 0 HD21 ASN A 69 -5.162 -10.263 -4.239 1.00 72.13 H new ATOM 0 HD22 ASN A 69 -4.478 -8.800 -4.954 1.00 72.13 H new ATOM 1066 N PHE A 70 -1.221 -9.377 -8.706 1.00 52.10 N ATOM 1067 CA PHE A 70 -0.115 -9.214 -9.642 1.00 54.35 C ATOM 1068 C PHE A 70 -0.612 -8.680 -10.983 1.00 11.11 C ATOM 1069 O PHE A 70 -0.082 -7.701 -11.508 1.00 15.51 O ATOM 1070 CB PHE A 70 0.608 -10.546 -9.848 1.00 32.42 C ATOM 1071 CG PHE A 70 1.272 -11.066 -8.605 1.00 13.12 C ATOM 1072 CD1 PHE A 70 0.523 -11.652 -7.597 1.00 11.22 C ATOM 1073 CD2 PHE A 70 2.644 -10.969 -8.444 1.00 45.04 C ATOM 1074 CE1 PHE A 70 1.131 -12.130 -6.452 1.00 3.24 C ATOM 1075 CE2 PHE A 70 3.259 -11.446 -7.302 1.00 14.35 C ATOM 1076 CZ PHE A 70 2.501 -12.028 -6.304 1.00 51.13 C ATOM 0 H PHE A 70 -1.865 -10.132 -8.941 1.00 52.10 H new ATOM 0 HA PHE A 70 0.583 -8.492 -9.218 1.00 54.35 H new ATOM 0 HB2 PHE A 70 -0.107 -11.287 -10.205 1.00 32.42 H new ATOM 0 HB3 PHE A 70 1.359 -10.426 -10.628 1.00 32.42 H new ATOM 0 HD1 PHE A 70 -0.548 -11.736 -7.708 1.00 11.22 H new ATOM 0 HD2 PHE A 70 3.241 -10.515 -9.221 1.00 45.04 H new ATOM 0 HE1 PHE A 70 0.536 -12.583 -5.673 1.00 3.24 H new ATOM 0 HE2 PHE A 70 4.330 -11.364 -7.190 1.00 14.35 H new ATOM 0 HZ PHE A 70 2.978 -12.402 -5.410 1.00 51.13 H new ATOM 1086 N SER A 71 -1.632 -9.332 -11.531 1.00 54.33 N ATOM 1087 CA SER A 71 -2.199 -8.926 -12.812 1.00 64.35 C ATOM 1088 C SER A 71 -3.615 -8.388 -12.635 1.00 31.25 C ATOM 1089 O SER A 71 -4.285 -8.686 -11.645 1.00 65.45 O ATOM 1090 CB SER A 71 -2.208 -10.106 -13.786 1.00 63.23 C ATOM 1091 OG SER A 71 -1.902 -9.683 -15.104 1.00 1.35 O ATOM 0 H SER A 71 -2.083 -10.143 -11.108 1.00 54.33 H new ATOM 0 HA SER A 71 -1.576 -8.130 -13.221 1.00 64.35 H new ATOM 0 HB2 SER A 71 -1.483 -10.853 -13.463 1.00 63.23 H new ATOM 0 HB3 SER A 71 -3.187 -10.585 -13.773 1.00 63.23 H new ATOM 0 HG SER A 71 -1.913 -10.456 -15.706 1.00 1.35 H new ATOM 1097 N SER A 72 -4.065 -7.593 -13.600 1.00 70.31 N ATOM 1098 CA SER A 72 -5.400 -7.010 -13.550 1.00 13.54 C ATOM 1099 C SER A 72 -6.257 -7.513 -14.707 1.00 53.42 C ATOM 1100 O SER A 72 -7.268 -6.903 -15.057 1.00 2.31 O ATOM 1101 CB SER A 72 -5.314 -5.483 -13.590 1.00 13.41 C ATOM 1102 OG SER A 72 -4.710 -4.975 -12.413 1.00 45.33 O ATOM 0 H SER A 72 -3.524 -7.338 -14.426 1.00 70.31 H new ATOM 0 HA SER A 72 -5.868 -7.316 -12.615 1.00 13.54 H new ATOM 0 HB2 SER A 72 -4.739 -5.171 -14.462 1.00 13.41 H new ATOM 0 HB3 SER A 72 -6.313 -5.062 -13.700 1.00 13.41 H new ATOM 0 HG SER A 72 -4.665 -3.997 -12.464 1.00 45.33 H new ATOM 1108 N SER A 73 -5.846 -8.630 -15.298 1.00 44.10 N ATOM 1109 CA SER A 73 -6.572 -9.214 -16.419 1.00 74.30 C ATOM 1110 C SER A 73 -7.066 -10.616 -16.075 1.00 24.50 C ATOM 1111 O SER A 73 -8.147 -11.027 -16.496 1.00 1.54 O ATOM 1112 CB SER A 73 -5.681 -9.265 -17.661 1.00 62.52 C ATOM 1113 OG SER A 73 -6.415 -9.684 -18.799 1.00 2.40 O ATOM 0 H SER A 73 -5.013 -9.149 -15.019 1.00 44.10 H new ATOM 0 HA SER A 73 -7.437 -8.584 -16.627 1.00 74.30 H new ATOM 0 HB2 SER A 73 -5.251 -8.280 -17.844 1.00 62.52 H new ATOM 0 HB3 SER A 73 -4.850 -9.949 -17.488 1.00 62.52 H new ATOM 0 HG SER A 73 -5.823 -9.707 -19.580 1.00 2.40 H new ATOM 1119 N ALA A 74 -6.264 -11.347 -15.307 1.00 42.00 N ATOM 1120 CA ALA A 74 -6.618 -12.702 -14.904 1.00 73.21 C ATOM 1121 C ALA A 74 -7.772 -12.694 -13.907 1.00 23.44 C ATOM 1122 O ALA A 74 -7.602 -12.307 -12.750 1.00 52.45 O ATOM 1123 CB ALA A 74 -5.409 -13.410 -14.310 1.00 51.52 C ATOM 0 H ALA A 74 -5.365 -11.023 -14.952 1.00 42.00 H new ATOM 0 HA ALA A 74 -6.943 -13.245 -15.792 1.00 73.21 H new ATOM 0 HB1 ALA A 74 -5.689 -14.421 -14.014 1.00 51.52 H new ATOM 0 HB2 ALA A 74 -4.613 -13.457 -15.053 1.00 51.52 H new ATOM 0 HB3 ALA A 74 -5.058 -12.860 -13.437 1.00 51.52 H new ATOM 1129 N ARG A 75 -8.944 -13.124 -14.361 1.00 71.14 N ATOM 1130 CA ARG A 75 -10.126 -13.164 -13.509 1.00 31.52 C ATOM 1131 C ARG A 75 -9.796 -13.776 -12.150 1.00 43.42 C ATOM 1132 O ARG A 75 -9.687 -13.068 -11.149 1.00 14.41 O ATOM 1133 CB ARG A 75 -11.241 -13.966 -14.183 1.00 65.53 C ATOM 1134 CG ARG A 75 -10.730 -15.042 -15.128 1.00 75.31 C ATOM 1135 CD ARG A 75 -11.624 -16.273 -15.106 1.00 11.52 C ATOM 1136 NE ARG A 75 -13.038 -15.924 -15.210 1.00 14.43 N ATOM 1137 CZ ARG A 75 -14.025 -16.738 -14.851 1.00 4.14 C ATOM 1138 NH1 ARG A 75 -13.752 -17.942 -14.366 1.00 43.43 N ATOM 1139 NH2 ARG A 75 -15.287 -16.348 -14.975 1.00 61.41 N ATOM 0 H ARG A 75 -9.101 -13.450 -15.315 1.00 71.14 H new ATOM 0 HA ARG A 75 -10.466 -12.140 -13.355 1.00 31.52 H new ATOM 0 HB2 ARG A 75 -11.858 -14.432 -13.414 1.00 65.53 H new ATOM 0 HB3 ARG A 75 -11.885 -13.283 -14.737 1.00 65.53 H new ATOM 0 HG2 ARG A 75 -10.681 -14.644 -16.142 1.00 75.31 H new ATOM 0 HG3 ARG A 75 -9.715 -15.323 -14.847 1.00 75.31 H new ATOM 0 HD2 ARG A 75 -11.352 -16.933 -15.929 1.00 11.52 H new ATOM 0 HD3 ARG A 75 -11.454 -16.828 -14.183 1.00 11.52 H new ATOM 0 HE ARG A 75 -13.282 -15.005 -15.579 1.00 14.43 H new ATOM 0 HH11 ARG A 75 -12.783 -18.245 -14.268 1.00 43.43 H new ATOM 0 HH12 ARG A 75 -14.511 -18.565 -14.091 1.00 43.43 H new ATOM 0 HH21 ARG A 75 -15.501 -15.422 -15.346 1.00 61.41 H new ATOM 0 HH22 ARG A 75 -16.044 -16.974 -14.699 1.00 61.41 H new ATOM 1153 N VAL A 76 -9.637 -15.095 -12.123 1.00 73.24 N ATOM 1154 CA VAL A 76 -9.319 -15.802 -10.889 1.00 21.05 C ATOM 1155 C VAL A 76 -8.604 -17.117 -11.177 1.00 22.22 C ATOM 1156 O VAL A 76 -8.677 -17.646 -12.287 1.00 3.10 O ATOM 1157 CB VAL A 76 -10.587 -16.090 -10.064 1.00 34.23 C ATOM 1158 CG1 VAL A 76 -11.034 -14.842 -9.317 1.00 23.52 C ATOM 1159 CG2 VAL A 76 -11.700 -16.610 -10.962 1.00 24.43 C ATOM 0 H VAL A 76 -9.723 -15.696 -12.943 1.00 73.24 H new ATOM 0 HA VAL A 76 -8.660 -15.152 -10.313 1.00 21.05 H new ATOM 0 HB VAL A 76 -10.353 -16.860 -9.329 1.00 34.23 H new ATOM 0 HG11 VAL A 76 -11.931 -15.065 -8.740 1.00 23.52 H new ATOM 0 HG12 VAL A 76 -10.241 -14.517 -8.644 1.00 23.52 H new ATOM 0 HG13 VAL A 76 -11.251 -14.048 -10.032 1.00 23.52 H new ATOM 0 HG21 VAL A 76 -12.588 -16.808 -10.363 1.00 24.43 H new ATOM 0 HG22 VAL A 76 -11.934 -15.864 -11.721 1.00 24.43 H new ATOM 0 HG23 VAL A 76 -11.376 -17.531 -11.446 1.00 24.43 H new ATOM 1169 N LEU A 77 -7.913 -17.641 -10.171 1.00 20.45 N ATOM 1170 CA LEU A 77 -7.184 -18.897 -10.315 1.00 1.30 C ATOM 1171 C LEU A 77 -8.079 -19.982 -10.904 1.00 15.12 C ATOM 1172 O LEU A 77 -9.303 -19.847 -10.928 1.00 74.32 O ATOM 1173 CB LEU A 77 -6.637 -19.350 -8.960 1.00 61.34 C ATOM 1174 CG LEU A 77 -5.700 -18.371 -8.253 1.00 2.22 C ATOM 1175 CD1 LEU A 77 -4.903 -19.082 -7.170 1.00 63.04 C ATOM 1176 CD2 LEU A 77 -4.767 -17.706 -9.255 1.00 72.41 C ATOM 0 H LEU A 77 -7.842 -17.216 -9.246 1.00 20.45 H new ATOM 0 HA LEU A 77 -6.351 -18.729 -10.998 1.00 1.30 H new ATOM 0 HB2 LEU A 77 -7.480 -19.555 -8.301 1.00 61.34 H new ATOM 0 HB3 LEU A 77 -6.107 -20.292 -9.101 1.00 61.34 H new ATOM 0 HG LEU A 77 -6.305 -17.597 -7.781 1.00 2.22 H new ATOM 0 HD11 LEU A 77 -4.242 -18.369 -6.678 1.00 63.04 H new ATOM 0 HD12 LEU A 77 -5.587 -19.509 -6.436 1.00 63.04 H new ATOM 0 HD13 LEU A 77 -4.309 -19.878 -7.619 1.00 63.04 H new ATOM 0 HD21 LEU A 77 -4.107 -17.012 -8.733 1.00 72.41 H new ATOM 0 HD22 LEU A 77 -4.170 -18.467 -9.757 1.00 72.41 H new ATOM 0 HD23 LEU A 77 -5.355 -17.161 -9.994 1.00 72.41 H new ATOM 1188 N THR A 78 -7.462 -21.060 -11.377 1.00 24.15 N ATOM 1189 CA THR A 78 -8.202 -22.169 -11.964 1.00 72.31 C ATOM 1190 C THR A 78 -7.992 -23.453 -11.169 1.00 54.11 C ATOM 1191 O THR A 78 -7.430 -23.431 -10.074 1.00 72.33 O ATOM 1192 CB THR A 78 -7.785 -22.411 -13.427 1.00 42.00 C ATOM 1193 OG1 THR A 78 -6.719 -23.366 -13.481 1.00 41.41 O ATOM 1194 CG2 THR A 78 -7.343 -21.113 -14.085 1.00 55.45 C ATOM 0 H THR A 78 -6.450 -21.188 -11.365 1.00 24.15 H new ATOM 0 HA THR A 78 -9.257 -21.895 -11.935 1.00 72.31 H new ATOM 0 HB THR A 78 -8.648 -22.799 -13.968 1.00 42.00 H new ATOM 0 HG1 THR A 78 -6.461 -23.516 -14.414 1.00 41.41 H new ATOM 0 HG21 THR A 78 -7.053 -21.309 -15.117 1.00 55.45 H new ATOM 0 HG22 THR A 78 -8.166 -20.398 -14.068 1.00 55.45 H new ATOM 0 HG23 THR A 78 -6.493 -20.701 -13.542 1.00 55.45 H new ATOM 1202 N SER A 79 -8.447 -24.570 -11.727 1.00 74.22 N ATOM 1203 CA SER A 79 -8.312 -25.864 -11.068 1.00 50.10 C ATOM 1204 C SER A 79 -6.885 -26.390 -11.191 1.00 51.33 C ATOM 1205 O SER A 79 -6.661 -27.500 -11.673 1.00 4.24 O ATOM 1206 CB SER A 79 -9.293 -26.872 -11.670 1.00 41.21 C ATOM 1207 OG SER A 79 -9.657 -27.858 -10.720 1.00 74.43 O ATOM 0 H SER A 79 -8.912 -24.605 -12.634 1.00 74.22 H new ATOM 0 HA SER A 79 -8.542 -25.731 -10.011 1.00 50.10 H new ATOM 0 HB2 SER A 79 -10.185 -26.352 -12.019 1.00 41.21 H new ATOM 0 HB3 SER A 79 -8.841 -27.349 -12.540 1.00 41.21 H new ATOM 0 HG SER A 79 -10.286 -28.489 -11.128 1.00 74.43 H new ATOM 1213 N ALA A 80 -5.924 -25.583 -10.753 1.00 31.33 N ATOM 1214 CA ALA A 80 -4.519 -25.967 -10.812 1.00 11.25 C ATOM 1215 C ALA A 80 -3.632 -24.903 -10.174 1.00 14.33 C ATOM 1216 O ALA A 80 -2.648 -25.221 -9.507 1.00 51.44 O ATOM 1217 CB ALA A 80 -4.099 -26.212 -12.253 1.00 62.01 C ATOM 0 H ALA A 80 -6.093 -24.660 -10.354 1.00 31.33 H new ATOM 0 HA ALA A 80 -4.396 -26.891 -10.247 1.00 11.25 H new ATOM 0 HB1 ALA A 80 -3.048 -26.498 -12.282 1.00 62.01 H new ATOM 0 HB2 ALA A 80 -4.705 -27.013 -12.677 1.00 62.01 H new ATOM 0 HB3 ALA A 80 -4.243 -25.301 -12.834 1.00 62.01 H new ATOM 1223 N GLU A 81 -3.988 -23.639 -10.383 1.00 71.04 N ATOM 1224 CA GLU A 81 -3.222 -22.529 -9.829 1.00 54.44 C ATOM 1225 C GLU A 81 -3.467 -22.394 -8.329 1.00 55.32 C ATOM 1226 O GLU A 81 -2.529 -22.247 -7.545 1.00 70.23 O ATOM 1227 CB GLU A 81 -3.591 -21.223 -10.537 1.00 3.21 C ATOM 1228 CG GLU A 81 -3.684 -21.355 -12.048 1.00 1.53 C ATOM 1229 CD GLU A 81 -3.405 -20.048 -12.766 1.00 31.25 C ATOM 1230 OE1 GLU A 81 -2.324 -19.466 -12.537 1.00 51.34 O ATOM 1231 OE2 GLU A 81 -4.267 -19.608 -13.555 1.00 31.44 O ATOM 0 H GLU A 81 -4.801 -23.359 -10.931 1.00 71.04 H new ATOM 0 HA GLU A 81 -2.164 -22.735 -9.989 1.00 54.44 H new ATOM 0 HB2 GLU A 81 -4.547 -20.869 -10.152 1.00 3.21 H new ATOM 0 HB3 GLU A 81 -2.848 -20.464 -10.292 1.00 3.21 H new ATOM 0 HG2 GLU A 81 -2.975 -22.110 -12.387 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -4.679 -21.708 -12.318 1.00 1.53 H new ATOM 1238 N THR A 82 -4.736 -22.444 -7.936 1.00 15.41 N ATOM 1239 CA THR A 82 -5.106 -22.325 -6.531 1.00 75.32 C ATOM 1240 C THR A 82 -4.648 -23.543 -5.737 1.00 65.14 C ATOM 1241 O THR A 82 -4.252 -23.428 -4.577 1.00 63.12 O ATOM 1242 CB THR A 82 -6.629 -22.161 -6.363 1.00 62.02 C ATOM 1243 OG1 THR A 82 -7.221 -21.777 -7.609 1.00 64.13 O ATOM 1244 CG2 THR A 82 -6.947 -21.118 -5.302 1.00 63.13 C ATOM 0 H THR A 82 -5.525 -22.566 -8.571 1.00 15.41 H new ATOM 0 HA THR A 82 -4.607 -21.435 -6.147 1.00 75.32 H new ATOM 0 HB THR A 82 -7.042 -23.118 -6.045 1.00 62.02 H new ATOM 0 HG1 THR A 82 -8.189 -21.677 -7.494 1.00 64.13 H new ATOM 0 HG21 THR A 82 -8.028 -21.020 -5.201 1.00 63.13 H new ATOM 0 HG22 THR A 82 -6.520 -21.428 -4.348 1.00 63.13 H new ATOM 0 HG23 THR A 82 -6.521 -20.159 -5.596 1.00 63.13 H new ATOM 1252 N LYS A 83 -4.702 -24.711 -6.370 1.00 12.55 N ATOM 1253 CA LYS A 83 -4.290 -25.951 -5.723 1.00 72.04 C ATOM 1254 C LYS A 83 -2.774 -26.003 -5.562 1.00 73.11 C ATOM 1255 O LYS A 83 -2.266 -26.334 -4.491 1.00 43.25 O ATOM 1256 CB LYS A 83 -4.769 -27.157 -6.535 1.00 50.45 C ATOM 1257 CG LYS A 83 -6.276 -27.204 -6.723 1.00 45.11 C ATOM 1258 CD LYS A 83 -6.969 -27.816 -5.517 1.00 43.33 C ATOM 1259 CE LYS A 83 -8.434 -27.412 -5.452 1.00 43.12 C ATOM 1260 NZ LYS A 83 -9.296 -28.323 -6.254 1.00 34.32 N ATOM 0 H LYS A 83 -5.027 -24.824 -7.330 1.00 12.55 H new ATOM 0 HA LYS A 83 -4.744 -25.984 -4.733 1.00 72.04 H new ATOM 0 HB2 LYS A 83 -4.290 -27.139 -7.514 1.00 50.45 H new ATOM 0 HB3 LYS A 83 -4.445 -28.071 -6.038 1.00 50.45 H new ATOM 0 HG2 LYS A 83 -6.655 -26.195 -6.888 1.00 45.11 H new ATOM 0 HG3 LYS A 83 -6.515 -27.784 -7.614 1.00 45.11 H new ATOM 0 HD2 LYS A 83 -6.892 -28.902 -5.564 1.00 43.33 H new ATOM 0 HD3 LYS A 83 -6.462 -27.499 -4.605 1.00 43.33 H new ATOM 0 HE2 LYS A 83 -8.767 -27.418 -4.414 1.00 43.12 H new ATOM 0 HE3 LYS A 83 -8.546 -26.391 -5.817 1.00 43.12 H new ATOM 0 HZ1 LYS A 83 -10.287 -28.014 -6.184 1.00 34.32 H new ATOM 0 HZ2 LYS A 83 -8.995 -28.299 -7.249 1.00 34.32 H new ATOM 0 HZ3 LYS A 83 -9.209 -29.293 -5.890 1.00 34.32 H new ATOM 1274 N ALA A 84 -2.058 -25.673 -6.632 1.00 73.10 N ATOM 1275 CA ALA A 84 -0.601 -25.679 -6.607 1.00 41.04 C ATOM 1276 C ALA A 84 -0.063 -24.577 -5.701 1.00 63.01 C ATOM 1277 O ALA A 84 1.130 -24.536 -5.398 1.00 12.02 O ATOM 1278 CB ALA A 84 -0.049 -25.523 -8.016 1.00 44.15 C ATOM 0 H ALA A 84 -2.464 -25.398 -7.527 1.00 73.10 H new ATOM 0 HA ALA A 84 -0.273 -26.637 -6.204 1.00 41.04 H new ATOM 0 HB1 ALA A 84 1.040 -25.529 -7.983 1.00 44.15 H new ATOM 0 HB2 ALA A 84 -0.398 -26.348 -8.637 1.00 44.15 H new ATOM 0 HB3 ALA A 84 -0.394 -24.580 -8.439 1.00 44.15 H new ATOM 1284 N PHE A 85 -0.949 -23.685 -5.272 1.00 50.41 N ATOM 1285 CA PHE A 85 -0.562 -22.581 -4.401 1.00 52.44 C ATOM 1286 C PHE A 85 -0.969 -22.859 -2.957 1.00 40.53 C ATOM 1287 O PHE A 85 -0.173 -22.689 -2.032 1.00 72.34 O ATOM 1288 CB PHE A 85 -1.202 -21.276 -4.881 1.00 73.34 C ATOM 1289 CG PHE A 85 -0.703 -20.060 -4.155 1.00 24.53 C ATOM 1290 CD1 PHE A 85 0.546 -19.531 -4.439 1.00 72.25 C ATOM 1291 CD2 PHE A 85 -1.481 -19.447 -3.186 1.00 72.25 C ATOM 1292 CE1 PHE A 85 1.008 -18.412 -3.773 1.00 25.21 C ATOM 1293 CE2 PHE A 85 -1.024 -18.328 -2.517 1.00 10.20 C ATOM 1294 CZ PHE A 85 0.223 -17.810 -2.810 1.00 32.44 C ATOM 0 H PHE A 85 -1.940 -23.705 -5.513 1.00 50.41 H new ATOM 0 HA PHE A 85 0.523 -22.482 -4.442 1.00 52.44 H new ATOM 0 HB2 PHE A 85 -1.009 -21.157 -5.947 1.00 73.34 H new ATOM 0 HB3 PHE A 85 -2.283 -21.344 -4.758 1.00 73.34 H new ATOM 0 HD1 PHE A 85 1.166 -19.999 -5.190 1.00 72.25 H new ATOM 0 HD2 PHE A 85 -2.456 -19.849 -2.951 1.00 72.25 H new ATOM 0 HE1 PHE A 85 1.982 -18.009 -4.006 1.00 25.21 H new ATOM 0 HE2 PHE A 85 -1.641 -17.858 -1.765 1.00 10.20 H new ATOM 0 HZ PHE A 85 0.583 -16.936 -2.287 1.00 32.44 H new ATOM 1304 N LEU A 86 -2.213 -23.285 -2.771 1.00 71.43 N ATOM 1305 CA LEU A 86 -2.728 -23.587 -1.440 1.00 4.11 C ATOM 1306 C LEU A 86 -2.026 -24.805 -0.848 1.00 21.01 C ATOM 1307 O LEU A 86 -1.487 -24.747 0.257 1.00 70.31 O ATOM 1308 CB LEU A 86 -4.236 -23.831 -1.498 1.00 34.50 C ATOM 1309 CG LEU A 86 -5.027 -23.447 -0.247 1.00 54.11 C ATOM 1310 CD1 LEU A 86 -6.476 -23.149 -0.602 1.00 42.21 C ATOM 1311 CD2 LEU A 86 -4.949 -24.553 0.795 1.00 64.33 C ATOM 0 H LEU A 86 -2.884 -23.429 -3.525 1.00 71.43 H new ATOM 0 HA LEU A 86 -2.530 -22.729 -0.798 1.00 4.11 H new ATOM 0 HB2 LEU A 86 -4.641 -23.276 -2.344 1.00 34.50 H new ATOM 0 HB3 LEU A 86 -4.405 -24.889 -1.700 1.00 34.50 H new ATOM 0 HG LEU A 86 -4.584 -22.545 0.176 1.00 54.11 H new ATOM 0 HD11 LEU A 86 -7.023 -22.878 0.301 1.00 42.21 H new ATOM 0 HD12 LEU A 86 -6.514 -22.323 -1.312 1.00 42.21 H new ATOM 0 HD13 LEU A 86 -6.930 -24.033 -1.050 1.00 42.21 H new ATOM 0 HD21 LEU A 86 -5.518 -24.262 1.678 1.00 64.33 H new ATOM 0 HD22 LEU A 86 -5.365 -25.472 0.382 1.00 64.33 H new ATOM 0 HD23 LEU A 86 -3.908 -24.719 1.072 1.00 64.33 H new ATOM 1323 N ALA A 87 -2.035 -25.906 -1.592 1.00 20.32 N ATOM 1324 CA ALA A 87 -1.396 -27.137 -1.143 1.00 1.14 C ATOM 1325 C ALA A 87 0.115 -26.962 -1.032 1.00 71.22 C ATOM 1326 O ALA A 87 0.801 -27.782 -0.422 1.00 40.33 O ATOM 1327 CB ALA A 87 -1.729 -28.281 -2.089 1.00 51.42 C ATOM 0 H ALA A 87 -2.478 -25.971 -2.509 1.00 20.32 H new ATOM 0 HA ALA A 87 -1.782 -27.377 -0.152 1.00 1.14 H new ATOM 0 HB1 ALA A 87 -1.245 -29.194 -1.741 1.00 51.42 H new ATOM 0 HB2 ALA A 87 -2.809 -28.430 -2.114 1.00 51.42 H new ATOM 0 HB3 ALA A 87 -1.372 -28.040 -3.091 1.00 51.42 H new ATOM 1333 N ALA A 88 0.627 -25.890 -1.627 1.00 10.53 N ATOM 1334 CA ALA A 88 2.057 -25.607 -1.594 1.00 34.13 C ATOM 1335 C ALA A 88 2.394 -24.610 -0.490 1.00 71.31 C ATOM 1336 O ALA A 88 3.502 -24.612 0.044 1.00 42.12 O ATOM 1337 CB ALA A 88 2.522 -25.081 -2.943 1.00 51.23 C ATOM 0 H ALA A 88 0.073 -25.203 -2.138 1.00 10.53 H new ATOM 0 HA ALA A 88 2.582 -26.538 -1.379 1.00 34.13 H new ATOM 0 HB1 ALA A 88 3.591 -24.874 -2.904 1.00 51.23 H new ATOM 0 HB2 ALA A 88 2.325 -25.828 -3.712 1.00 51.23 H new ATOM 0 HB3 ALA A 88 1.983 -24.164 -3.181 1.00 51.23 H new ATOM 1343 N GLY A 89 1.430 -23.759 -0.153 1.00 51.31 N ATOM 1344 CA GLY A 89 1.645 -22.767 0.885 1.00 62.52 C ATOM 1345 C GLY A 89 1.119 -23.216 2.233 1.00 33.55 C ATOM 1346 O GLY A 89 1.876 -23.325 3.198 1.00 31.51 O ATOM 0 H GLY A 89 0.504 -23.739 -0.580 1.00 51.31 H new ATOM 0 HA2 GLY A 89 2.711 -22.556 0.966 1.00 62.52 H new ATOM 0 HA3 GLY A 89 1.157 -21.835 0.600 1.00 62.52 H new ATOM 1350 N ASP A 90 -0.182 -23.476 2.302 1.00 13.02 N ATOM 1351 CA ASP A 90 -0.810 -23.915 3.543 1.00 21.02 C ATOM 1352 C ASP A 90 -0.091 -25.133 4.115 1.00 44.23 C ATOM 1353 O ASP A 90 -0.284 -26.257 3.651 1.00 54.04 O ATOM 1354 CB ASP A 90 -2.285 -24.243 3.305 1.00 23.44 C ATOM 1355 CG ASP A 90 -2.871 -25.103 4.408 1.00 55.11 C ATOM 1356 OD1 ASP A 90 -3.182 -24.554 5.486 1.00 62.23 O ATOM 1357 OD2 ASP A 90 -3.020 -26.324 4.193 1.00 25.42 O ATOM 0 H ASP A 90 -0.823 -23.390 1.513 1.00 13.02 H new ATOM 0 HA ASP A 90 -0.739 -23.101 4.265 1.00 21.02 H new ATOM 0 HB2 ASP A 90 -2.853 -23.316 3.230 1.00 23.44 H new ATOM 0 HB3 ASP A 90 -2.390 -24.759 2.351 1.00 23.44 H new ATOM 1362 N THR A 91 0.742 -24.902 5.125 1.00 2.10 N ATOM 1363 CA THR A 91 1.492 -25.979 5.759 1.00 44.25 C ATOM 1364 C THR A 91 0.885 -26.354 7.105 1.00 12.13 C ATOM 1365 O THR A 91 0.908 -27.518 7.505 1.00 72.22 O ATOM 1366 CB THR A 91 2.968 -25.590 5.965 1.00 45.54 C ATOM 1367 OG1 THR A 91 3.055 -24.272 6.518 1.00 51.54 O ATOM 1368 CG2 THR A 91 3.731 -25.644 4.650 1.00 62.24 C ATOM 0 H THR A 91 0.914 -23.978 5.522 1.00 2.10 H new ATOM 0 HA THR A 91 1.440 -26.837 5.089 1.00 44.25 H new ATOM 0 HB THR A 91 3.415 -26.304 6.656 1.00 45.54 H new ATOM 0 HG1 THR A 91 3.997 -24.033 6.647 1.00 51.54 H new ATOM 0 HG21 THR A 91 4.771 -25.365 4.821 1.00 62.24 H new ATOM 0 HG22 THR A 91 3.688 -26.655 4.246 1.00 62.24 H new ATOM 0 HG23 THR A 91 3.281 -24.950 3.940 1.00 62.24 H new ATOM 1407 N GLY A 95 -6.514 -24.927 6.441 1.00 74.11 N ATOM 1408 CA GLY A 95 -7.441 -24.719 5.344 1.00 40.24 C ATOM 1409 C GLY A 95 -7.296 -23.347 4.715 1.00 35.02 C ATOM 1410 O GLY A 95 -8.001 -23.015 3.762 1.00 53.21 O ATOM 0 HA2 GLY A 95 -7.277 -25.483 4.584 1.00 40.24 H new ATOM 0 HA3 GLY A 95 -8.462 -24.843 5.706 1.00 40.24 H new ATOM 1414 N LYS A 96 -6.381 -22.546 5.251 1.00 73.24 N ATOM 1415 CA LYS A 96 -6.146 -21.202 4.737 1.00 1.13 C ATOM 1416 C LYS A 96 -4.702 -20.773 4.977 1.00 1.05 C ATOM 1417 O LYS A 96 -4.132 -21.044 6.035 1.00 61.32 O ATOM 1418 CB LYS A 96 -7.102 -20.206 5.399 1.00 25.51 C ATOM 1419 CG LYS A 96 -7.662 -20.691 6.725 1.00 75.23 C ATOM 1420 CD LYS A 96 -6.566 -20.877 7.760 1.00 64.43 C ATOM 1421 CE LYS A 96 -7.013 -20.410 9.136 1.00 1.12 C ATOM 1422 NZ LYS A 96 -8.306 -21.029 9.539 1.00 52.41 N ATOM 0 H LYS A 96 -5.790 -22.805 6.041 1.00 73.24 H new ATOM 0 HA LYS A 96 -6.330 -21.213 3.663 1.00 1.13 H new ATOM 0 HB2 LYS A 96 -6.578 -19.263 5.558 1.00 25.51 H new ATOM 0 HB3 LYS A 96 -7.928 -20.001 4.718 1.00 25.51 H new ATOM 0 HG2 LYS A 96 -8.395 -19.974 7.095 1.00 75.23 H new ATOM 0 HG3 LYS A 96 -8.186 -21.635 6.576 1.00 75.23 H new ATOM 0 HD2 LYS A 96 -6.282 -21.928 7.806 1.00 64.43 H new ATOM 0 HD3 LYS A 96 -5.679 -20.321 7.456 1.00 64.43 H new ATOM 0 HE2 LYS A 96 -6.247 -20.659 9.870 1.00 1.12 H new ATOM 0 HE3 LYS A 96 -7.114 -19.325 9.136 1.00 1.12 H new ATOM 0 HZ1 LYS A 96 -8.420 -20.955 10.570 1.00 52.41 H new ATOM 0 HZ2 LYS A 96 -9.090 -20.534 9.067 1.00 52.41 H new ATOM 0 HZ3 LYS A 96 -8.313 -22.031 9.261 1.00 52.41 H new ATOM 1436 N ILE A 97 -4.117 -20.102 3.991 1.00 11.42 N ATOM 1437 CA ILE A 97 -2.741 -19.633 4.098 1.00 61.45 C ATOM 1438 C ILE A 97 -2.660 -18.344 4.908 1.00 21.30 C ATOM 1439 O ILE A 97 -3.561 -17.508 4.856 1.00 31.43 O ATOM 1440 CB ILE A 97 -2.119 -19.394 2.709 1.00 10.51 C ATOM 1441 CG1 ILE A 97 -1.963 -20.719 1.960 1.00 14.41 C ATOM 1442 CG2 ILE A 97 -0.775 -18.694 2.845 1.00 64.34 C ATOM 1443 CD1 ILE A 97 -1.368 -20.565 0.578 1.00 24.22 C ATOM 0 H ILE A 97 -4.574 -19.871 3.109 1.00 11.42 H new ATOM 0 HA ILE A 97 -2.180 -20.415 4.609 1.00 61.45 H new ATOM 0 HB ILE A 97 -2.786 -18.751 2.134 1.00 10.51 H new ATOM 0 HG12 ILE A 97 -1.331 -21.386 2.546 1.00 14.41 H new ATOM 0 HG13 ILE A 97 -2.939 -21.196 1.875 1.00 14.41 H new ATOM 0 HG21 ILE A 97 -0.347 -18.532 1.856 1.00 64.34 H new ATOM 0 HG22 ILE A 97 -0.913 -17.734 3.342 1.00 64.34 H new ATOM 0 HG23 ILE A 97 -0.100 -19.314 3.435 1.00 64.34 H new ATOM 0 HD11 ILE A 97 -1.287 -21.544 0.106 1.00 24.22 H new ATOM 0 HD12 ILE A 97 -2.010 -19.923 -0.025 1.00 24.22 H new ATOM 0 HD13 ILE A 97 -0.378 -20.116 0.656 1.00 24.22 H new ATOM 1455 N GLY A 98 -1.572 -18.189 5.656 1.00 25.21 N ATOM 1456 CA GLY A 98 -1.391 -16.998 6.466 1.00 75.41 C ATOM 1457 C GLY A 98 -0.121 -16.248 6.120 1.00 65.54 C ATOM 1458 O GLY A 98 0.025 -15.739 5.009 1.00 43.15 O ATOM 0 H GLY A 98 -0.812 -18.867 5.716 1.00 25.21 H new ATOM 0 HA2 GLY A 98 -2.247 -16.337 6.331 1.00 75.41 H new ATOM 0 HA3 GLY A 98 -1.368 -17.279 7.519 1.00 75.41 H new ATOM 1462 N VAL A 99 0.802 -16.179 7.074 1.00 43.31 N ATOM 1463 CA VAL A 99 2.067 -15.485 6.865 1.00 44.23 C ATOM 1464 C VAL A 99 3.245 -16.448 6.963 1.00 2.23 C ATOM 1465 O VAL A 99 4.047 -16.559 6.037 1.00 60.33 O ATOM 1466 CB VAL A 99 2.260 -14.349 7.887 1.00 43.11 C ATOM 1467 CG1 VAL A 99 2.120 -12.993 7.212 1.00 73.23 C ATOM 1468 CG2 VAL A 99 1.268 -14.489 9.032 1.00 44.12 C ATOM 0 H VAL A 99 0.697 -16.595 7.999 1.00 43.31 H new ATOM 0 HA VAL A 99 2.032 -15.059 5.862 1.00 44.23 H new ATOM 0 HB VAL A 99 3.267 -14.421 8.298 1.00 43.11 H new ATOM 0 HG11 VAL A 99 2.260 -12.203 7.950 1.00 73.23 H new ATOM 0 HG12 VAL A 99 2.873 -12.896 6.430 1.00 73.23 H new ATOM 0 HG13 VAL A 99 1.127 -12.907 6.772 1.00 73.23 H new ATOM 0 HG21 VAL A 99 1.418 -13.678 9.745 1.00 44.12 H new ATOM 0 HG22 VAL A 99 0.252 -14.444 8.640 1.00 44.12 H new ATOM 0 HG23 VAL A 99 1.422 -15.445 9.532 1.00 44.12 H new ATOM 1478 N GLU A 100 3.342 -17.142 8.093 1.00 42.10 N ATOM 1479 CA GLU A 100 4.423 -18.096 8.312 1.00 1.22 C ATOM 1480 C GLU A 100 4.417 -19.181 7.240 1.00 74.42 C ATOM 1481 O GLU A 100 5.444 -19.799 6.962 1.00 51.12 O ATOM 1482 CB GLU A 100 4.298 -18.732 9.698 1.00 4.02 C ATOM 1483 CG GLU A 100 5.387 -18.301 10.666 1.00 4.21 C ATOM 1484 CD GLU A 100 6.781 -18.510 10.107 1.00 42.33 C ATOM 1485 OE1 GLU A 100 7.079 -19.639 9.665 1.00 62.13 O ATOM 1486 OE2 GLU A 100 7.574 -17.545 10.111 1.00 13.31 O ATOM 0 H GLU A 100 2.686 -17.062 8.870 1.00 42.10 H new ATOM 0 HA GLU A 100 5.368 -17.556 8.252 1.00 1.22 H new ATOM 0 HB2 GLU A 100 3.326 -18.475 10.120 1.00 4.02 H new ATOM 0 HB3 GLU A 100 4.324 -19.817 9.594 1.00 4.02 H new ATOM 0 HG2 GLU A 100 5.253 -17.248 10.913 1.00 4.21 H new ATOM 0 HG3 GLU A 100 5.284 -18.861 11.595 1.00 4.21 H new ATOM 1493 N GLU A 101 3.251 -19.408 6.642 1.00 12.41 N ATOM 1494 CA GLU A 101 3.110 -20.419 5.602 1.00 64.54 C ATOM 1495 C GLU A 101 3.300 -19.806 4.217 1.00 24.22 C ATOM 1496 O GLU A 101 3.663 -20.497 3.264 1.00 14.24 O ATOM 1497 CB GLU A 101 1.737 -21.088 5.691 1.00 11.22 C ATOM 1498 CG GLU A 101 1.341 -21.477 7.105 1.00 33.53 C ATOM 1499 CD GLU A 101 0.742 -20.321 7.883 1.00 23.40 C ATOM 1500 OE1 GLU A 101 0.417 -19.291 7.256 1.00 34.25 O ATOM 1501 OE2 GLU A 101 0.600 -20.446 9.117 1.00 30.32 O ATOM 0 H GLU A 101 2.391 -18.905 6.861 1.00 12.41 H new ATOM 0 HA GLU A 101 3.883 -21.171 5.757 1.00 64.54 H new ATOM 0 HB2 GLU A 101 0.985 -20.411 5.285 1.00 11.22 H new ATOM 0 HB3 GLU A 101 1.735 -21.979 5.064 1.00 11.22 H new ATOM 0 HG2 GLU A 101 0.621 -22.294 7.065 1.00 33.53 H new ATOM 0 HG3 GLU A 101 2.218 -21.850 7.634 1.00 33.53 H new ATOM 1508 N PHE A 102 3.053 -18.505 4.114 1.00 12.31 N ATOM 1509 CA PHE A 102 3.195 -17.798 2.847 1.00 53.53 C ATOM 1510 C PHE A 102 4.666 -17.583 2.505 1.00 24.32 C ATOM 1511 O PHE A 102 5.119 -17.937 1.417 1.00 71.21 O ATOM 1512 CB PHE A 102 2.472 -16.450 2.906 1.00 30.24 C ATOM 1513 CG PHE A 102 2.629 -15.630 1.658 1.00 52.11 C ATOM 1514 CD1 PHE A 102 3.692 -14.752 1.519 1.00 60.31 C ATOM 1515 CD2 PHE A 102 1.714 -15.737 0.623 1.00 14.13 C ATOM 1516 CE1 PHE A 102 3.838 -13.996 0.371 1.00 1.14 C ATOM 1517 CE2 PHE A 102 1.855 -14.983 -0.527 1.00 33.22 C ATOM 1518 CZ PHE A 102 2.919 -14.112 -0.653 1.00 61.41 C ATOM 0 H PHE A 102 2.753 -17.919 4.893 1.00 12.31 H new ATOM 0 HA PHE A 102 2.744 -18.411 2.066 1.00 53.53 H new ATOM 0 HB2 PHE A 102 1.411 -16.624 3.086 1.00 30.24 H new ATOM 0 HB3 PHE A 102 2.850 -15.881 3.755 1.00 30.24 H new ATOM 0 HD1 PHE A 102 4.414 -14.657 2.316 1.00 60.31 H new ATOM 0 HD2 PHE A 102 0.881 -16.418 0.716 1.00 14.13 H new ATOM 0 HE1 PHE A 102 4.671 -13.315 0.275 1.00 1.14 H new ATOM 0 HE2 PHE A 102 1.134 -15.075 -1.326 1.00 33.22 H new ATOM 0 HZ PHE A 102 3.032 -13.523 -1.551 1.00 61.41 H new ATOM 1528 N GLN A 103 5.407 -17.001 3.443 1.00 34.11 N ATOM 1529 CA GLN A 103 6.827 -16.738 3.241 1.00 35.32 C ATOM 1530 C GLN A 103 7.610 -18.042 3.127 1.00 44.43 C ATOM 1531 O GLN A 103 8.651 -18.096 2.471 1.00 11.03 O ATOM 1532 CB GLN A 103 7.380 -15.896 4.392 1.00 34.22 C ATOM 1533 CG GLN A 103 7.347 -16.606 5.736 1.00 62.21 C ATOM 1534 CD GLN A 103 8.217 -15.927 6.776 1.00 75.31 C ATOM 1535 OE1 GLN A 103 8.446 -14.719 6.717 1.00 41.12 O ATOM 1536 NE2 GLN A 103 8.706 -16.703 7.737 1.00 54.44 N ATOM 0 H GLN A 103 5.048 -16.703 4.350 1.00 34.11 H new ATOM 0 HA GLN A 103 6.940 -16.184 2.309 1.00 35.32 H new ATOM 0 HB2 GLN A 103 8.408 -15.615 4.164 1.00 34.22 H new ATOM 0 HB3 GLN A 103 6.806 -14.972 4.464 1.00 34.22 H new ATOM 0 HG2 GLN A 103 6.319 -16.645 6.097 1.00 62.21 H new ATOM 0 HG3 GLN A 103 7.679 -17.636 5.607 1.00 62.21 H new ATOM 0 HE21 GLN A 103 8.490 -17.700 7.747 1.00 54.44 H new ATOM 0 HE22 GLN A 103 9.297 -16.302 8.465 1.00 54.44 H new ATOM 1545 N SER A 104 7.104 -19.089 3.769 1.00 70.41 N ATOM 1546 CA SER A 104 7.759 -20.392 3.743 1.00 41.15 C ATOM 1547 C SER A 104 7.721 -20.991 2.340 1.00 52.11 C ATOM 1548 O SER A 104 8.422 -21.960 2.047 1.00 61.25 O ATOM 1549 CB SER A 104 7.088 -21.344 4.735 1.00 43.05 C ATOM 1550 OG SER A 104 7.643 -22.645 4.647 1.00 33.21 O ATOM 0 H SER A 104 6.242 -19.061 4.314 1.00 70.41 H new ATOM 0 HA SER A 104 8.801 -20.253 4.032 1.00 41.15 H new ATOM 0 HB2 SER A 104 7.208 -20.962 5.749 1.00 43.05 H new ATOM 0 HB3 SER A 104 6.017 -21.387 4.535 1.00 43.05 H new ATOM 0 HG SER A 104 8.076 -22.758 3.775 1.00 33.21 H new ATOM 1556 N LEU A 105 6.897 -20.407 1.477 1.00 72.43 N ATOM 1557 CA LEU A 105 6.765 -20.882 0.104 1.00 65.24 C ATOM 1558 C LEU A 105 7.604 -20.035 -0.848 1.00 62.10 C ATOM 1559 O LEU A 105 8.353 -20.563 -1.670 1.00 25.32 O ATOM 1560 CB LEU A 105 5.298 -20.854 -0.329 1.00 4.14 C ATOM 1561 CG LEU A 105 5.006 -21.356 -1.743 1.00 54.51 C ATOM 1562 CD1 LEU A 105 3.584 -21.889 -1.837 1.00 4.22 C ATOM 1563 CD2 LEU A 105 5.229 -20.245 -2.760 1.00 33.25 C ATOM 0 H LEU A 105 6.310 -19.604 1.704 1.00 72.43 H new ATOM 0 HA LEU A 105 7.129 -21.909 0.065 1.00 65.24 H new ATOM 0 HB2 LEU A 105 4.721 -21.454 0.374 1.00 4.14 H new ATOM 0 HB3 LEU A 105 4.935 -19.829 -0.247 1.00 4.14 H new ATOM 0 HG LEU A 105 5.694 -22.171 -1.968 1.00 54.51 H new ATOM 0 HD11 LEU A 105 3.394 -22.242 -2.851 1.00 4.22 H new ATOM 0 HD12 LEU A 105 3.458 -22.714 -1.136 1.00 4.22 H new ATOM 0 HD13 LEU A 105 2.880 -21.093 -1.592 1.00 4.22 H new ATOM 0 HD21 LEU A 105 5.016 -20.620 -3.761 1.00 33.25 H new ATOM 0 HD22 LEU A 105 4.566 -19.409 -2.537 1.00 33.25 H new ATOM 0 HD23 LEU A 105 6.265 -19.909 -2.711 1.00 33.25 H new ATOM 1575 N VAL A 106 7.475 -18.717 -0.730 1.00 34.52 N ATOM 1576 CA VAL A 106 8.223 -17.797 -1.577 1.00 51.40 C ATOM 1577 C VAL A 106 9.725 -18.005 -1.422 1.00 42.30 C ATOM 1578 O VAL A 106 10.416 -18.360 -2.377 1.00 41.22 O ATOM 1579 CB VAL A 106 7.882 -16.330 -1.250 1.00 64.51 C ATOM 1580 CG1 VAL A 106 8.882 -15.391 -1.907 1.00 53.32 C ATOM 1581 CG2 VAL A 106 6.463 -16.003 -1.688 1.00 32.30 C ATOM 0 H VAL A 106 6.859 -18.263 -0.056 1.00 34.52 H new ATOM 0 HA VAL A 106 7.934 -18.009 -2.607 1.00 51.40 H new ATOM 0 HB VAL A 106 7.945 -16.192 -0.171 1.00 64.51 H new ATOM 0 HG11 VAL A 106 8.626 -14.360 -1.665 1.00 53.32 H new ATOM 0 HG12 VAL A 106 9.884 -15.612 -1.539 1.00 53.32 H new ATOM 0 HG13 VAL A 106 8.854 -15.528 -2.988 1.00 53.32 H new ATOM 0 HG21 VAL A 106 6.239 -14.963 -1.449 1.00 32.30 H new ATOM 0 HG22 VAL A 106 6.369 -16.157 -2.763 1.00 32.30 H new ATOM 0 HG23 VAL A 106 5.762 -16.654 -1.166 1.00 32.30 H new ATOM 1591 N LYS A 107 10.226 -17.782 -0.212 1.00 10.33 N ATOM 1592 CA LYS A 107 11.647 -17.946 0.071 1.00 31.02 C ATOM 1593 C LYS A 107 12.104 -19.366 -0.246 1.00 61.23 C ATOM 1594 O LYS A 107 13.294 -19.617 -0.438 1.00 35.02 O ATOM 1595 CB LYS A 107 11.937 -17.622 1.538 1.00 13.54 C ATOM 1596 CG LYS A 107 11.710 -18.794 2.477 1.00 52.01 C ATOM 1597 CD LYS A 107 11.992 -18.415 3.921 1.00 11.11 C ATOM 1598 CE LYS A 107 10.824 -17.661 4.538 1.00 73.12 C ATOM 1599 NZ LYS A 107 11.006 -17.457 6.002 1.00 40.04 N ATOM 0 H LYS A 107 9.668 -17.487 0.589 1.00 10.33 H new ATOM 0 HA LYS A 107 12.200 -17.254 -0.564 1.00 31.02 H new ATOM 0 HB2 LYS A 107 12.971 -17.289 1.630 1.00 13.54 H new ATOM 0 HB3 LYS A 107 11.305 -16.790 1.849 1.00 13.54 H new ATOM 0 HG2 LYS A 107 10.681 -19.141 2.385 1.00 52.01 H new ATOM 0 HG3 LYS A 107 12.353 -19.624 2.186 1.00 52.01 H new ATOM 0 HD2 LYS A 107 12.193 -19.315 4.502 1.00 11.11 H new ATOM 0 HD3 LYS A 107 12.890 -17.799 3.968 1.00 11.11 H new ATOM 0 HE2 LYS A 107 10.716 -16.694 4.047 1.00 73.12 H new ATOM 0 HE3 LYS A 107 9.901 -18.213 4.360 1.00 73.12 H new ATOM 0 HZ1 LYS A 107 10.385 -18.109 6.523 1.00 40.04 H new ATOM 0 HZ2 LYS A 107 11.997 -17.643 6.258 1.00 40.04 H new ATOM 0 HZ3 LYS A 107 10.763 -16.476 6.249 1.00 40.04 H new ATOM 1613 N ALA A 108 11.151 -20.291 -0.302 1.00 25.23 N ATOM 1614 CA ALA A 108 11.457 -21.685 -0.600 1.00 35.14 C ATOM 1615 C ALA A 108 11.257 -21.986 -2.081 1.00 61.21 C ATOM 1616 O ALA A 108 12.004 -22.768 -2.671 1.00 53.04 O ATOM 1617 CB ALA A 108 10.594 -22.607 0.249 1.00 32.22 C ATOM 0 H ALA A 108 10.161 -20.100 -0.145 1.00 25.23 H new ATOM 0 HA ALA A 108 12.505 -21.861 -0.359 1.00 35.14 H new ATOM 0 HB1 ALA A 108 10.833 -23.645 0.017 1.00 32.22 H new ATOM 0 HB2 ALA A 108 10.789 -22.418 1.305 1.00 32.22 H new ATOM 0 HB3 ALA A 108 9.542 -22.420 0.035 1.00 32.22 H new