USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 526 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 61 ASN : amide:sc= -0.0578 K(o=0.83,f=-8.4!) USER MOD Set 1.2: A 64 THR OG1 : rot -61:sc= 0.89 USER MOD Set 2.1: A 9 TYR OH : rot -154:sc= 0.612 USER MOD Set 2.2: A 57 MET CE :methyl 140:sc= -0.178 (180deg=-1.86) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -170:sc= 0.366 USER MOD Single : A 39 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.73) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0333 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0795 X(o=-0.079,f=-0.17) USER MOD Single : A 73 THR OG1 : rot -25:sc= 0.22 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 -0.752 -0.106 12.657 1.00 14.25 N ATOM 67 CA GLY A 6 -0.646 -0.038 11.208 1.00 2.43 C ATOM 68 C GLY A 6 -0.385 1.373 10.704 1.00 44.53 C ATOM 69 O GLY A 6 -0.509 2.345 11.455 1.00 54.33 O ATOM 0 HA2 GLY A 6 0.159 -0.693 10.876 1.00 2.43 H new ATOM 0 HA3 GLY A 6 -1.567 -0.414 10.762 1.00 2.43 H new ATOM 73 N PHE A 7 -0.014 1.488 9.435 1.00 42.12 N ATOM 74 CA PHE A 7 0.248 2.791 8.820 1.00 72.33 C ATOM 75 C PHE A 7 -0.681 3.050 7.628 1.00 20.13 C ATOM 76 O PHE A 7 -1.270 2.124 7.060 1.00 13.35 O ATOM 77 CB PHE A 7 1.709 2.887 8.364 1.00 20.41 C ATOM 78 CG PHE A 7 2.704 2.794 9.496 1.00 63.21 C ATOM 79 CD1 PHE A 7 2.783 3.797 10.452 1.00 14.15 C ATOM 80 CD2 PHE A 7 3.562 1.709 9.602 1.00 12.24 C ATOM 81 CE1 PHE A 7 3.691 3.720 11.490 1.00 74.42 C ATOM 82 CE2 PHE A 7 4.472 1.629 10.639 1.00 33.44 C ATOM 83 CZ PHE A 7 4.536 2.634 11.583 1.00 55.24 C ATOM 0 H PHE A 7 0.114 0.695 8.807 1.00 42.12 H new ATOM 0 HA PHE A 7 0.054 3.551 9.576 1.00 72.33 H new ATOM 0 HB2 PHE A 7 1.910 2.090 7.648 1.00 20.41 H new ATOM 0 HB3 PHE A 7 1.856 3.831 7.839 1.00 20.41 H new ATOM 0 HD1 PHE A 7 2.125 4.650 10.383 1.00 14.15 H new ATOM 0 HD2 PHE A 7 3.518 0.919 8.867 1.00 12.24 H new ATOM 0 HE1 PHE A 7 3.739 4.508 12.227 1.00 74.42 H new ATOM 0 HE2 PHE A 7 5.134 0.779 10.711 1.00 33.44 H new ATOM 0 HZ PHE A 7 5.247 2.570 12.393 1.00 55.24 H new ATOM 93 N GLN A 8 -0.804 4.319 7.255 1.00 42.54 N ATOM 94 CA GLN A 8 -1.643 4.720 6.124 1.00 20.33 C ATOM 95 C GLN A 8 -0.785 5.144 4.925 1.00 51.21 C ATOM 96 O GLN A 8 0.108 5.989 5.050 1.00 21.22 O ATOM 97 CB GLN A 8 -2.575 5.874 6.529 1.00 3.21 C ATOM 98 CG GLN A 8 -3.598 5.495 7.594 1.00 23.43 C ATOM 99 CD GLN A 8 -4.497 6.657 7.996 1.00 53.34 C ATOM 100 OE1 GLN A 8 -4.106 7.818 7.940 1.00 13.23 O ATOM 101 NE2 GLN A 8 -5.711 6.354 8.410 1.00 35.32 N ATOM 0 H GLN A 8 -0.332 5.094 7.720 1.00 42.54 H new ATOM 0 HA GLN A 8 -2.245 3.859 5.833 1.00 20.33 H new ATOM 0 HB2 GLN A 8 -1.972 6.704 6.897 1.00 3.21 H new ATOM 0 HB3 GLN A 8 -3.101 6.231 5.644 1.00 3.21 H new ATOM 0 HG2 GLN A 8 -4.215 4.677 7.222 1.00 23.43 H new ATOM 0 HG3 GLN A 8 -3.076 5.125 8.476 1.00 23.43 H new ATOM 0 HE21 GLN A 8 -6.009 5.379 8.446 1.00 35.32 H new ATOM 0 HE22 GLN A 8 -6.353 7.094 8.694 1.00 35.32 H new ATOM 110 N TYR A 9 -1.047 4.543 3.768 1.00 40.25 N ATOM 111 CA TYR A 9 -0.356 4.905 2.528 1.00 73.11 C ATOM 112 C TYR A 9 -1.315 5.615 1.560 1.00 63.23 C ATOM 113 O TYR A 9 -2.416 5.133 1.293 1.00 41.33 O ATOM 114 CB TYR A 9 0.246 3.653 1.870 1.00 33.31 C ATOM 115 CG TYR A 9 1.352 3.004 2.692 1.00 71.33 C ATOM 116 CD1 TYR A 9 1.060 2.061 3.676 1.00 62.40 C ATOM 117 CD2 TYR A 9 2.687 3.340 2.486 1.00 52.05 C ATOM 118 CE1 TYR A 9 2.065 1.476 4.428 1.00 62.22 C ATOM 119 CE2 TYR A 9 3.697 2.756 3.235 1.00 3.12 C ATOM 120 CZ TYR A 9 3.380 1.825 4.204 1.00 40.20 C ATOM 121 OH TYR A 9 4.380 1.234 4.948 1.00 13.42 O ATOM 0 H TYR A 9 -1.736 3.799 3.660 1.00 40.25 H new ATOM 0 HA TYR A 9 0.453 5.594 2.771 1.00 73.11 H new ATOM 0 HB2 TYR A 9 -0.547 2.924 1.703 1.00 33.31 H new ATOM 0 HB3 TYR A 9 0.643 3.922 0.891 1.00 33.31 H new ATOM 0 HD1 TYR A 9 0.032 1.782 3.855 1.00 62.40 H new ATOM 0 HD2 TYR A 9 2.940 4.068 1.730 1.00 52.05 H new ATOM 0 HE1 TYR A 9 1.820 0.749 5.188 1.00 62.22 H new ATOM 0 HE2 TYR A 9 4.728 3.028 3.061 1.00 3.12 H new ATOM 0 HH TYR A 9 5.155 1.833 4.989 1.00 13.42 H new ATOM 131 N ARG A 10 -0.886 6.760 1.038 1.00 12.20 N ATOM 132 CA ARG A 10 -1.734 7.590 0.172 1.00 0.42 C ATOM 133 C ARG A 10 -1.447 7.342 -1.316 1.00 32.21 C ATOM 134 O ARG A 10 -0.313 7.492 -1.775 1.00 4.43 O ATOM 135 CB ARG A 10 -1.503 9.072 0.497 1.00 43.45 C ATOM 136 CG ARG A 10 -2.301 10.043 -0.369 1.00 42.44 C ATOM 137 CD ARG A 10 -1.892 11.489 -0.104 1.00 12.42 C ATOM 138 NE ARG A 10 -2.607 12.426 -0.966 1.00 51.14 N ATOM 139 CZ ARG A 10 -2.029 13.242 -1.806 1.00 53.15 C ATOM 140 NH1 ARG A 10 -0.741 13.259 -1.940 1.00 61.25 N ATOM 141 NH2 ARG A 10 -2.746 14.040 -2.520 1.00 20.32 N ATOM 0 H ARG A 10 0.047 7.140 1.197 1.00 12.20 H new ATOM 0 HA ARG A 10 -2.772 7.319 0.362 1.00 0.42 H new ATOM 0 HB2 ARG A 10 -1.757 9.245 1.543 1.00 43.45 H new ATOM 0 HB3 ARG A 10 -0.442 9.294 0.386 1.00 43.45 H new ATOM 0 HG2 ARG A 10 -2.146 9.806 -1.422 1.00 42.44 H new ATOM 0 HG3 ARG A 10 -3.366 9.922 -0.169 1.00 42.44 H new ATOM 0 HD2 ARG A 10 -2.087 11.735 0.940 1.00 12.42 H new ATOM 0 HD3 ARG A 10 -0.819 11.597 -0.262 1.00 12.42 H new ATOM 0 HE ARG A 10 -3.625 12.444 -0.908 1.00 51.14 H new ATOM 0 HH11 ARG A 10 -0.162 12.629 -1.385 1.00 61.25 H new ATOM 0 HH12 ARG A 10 -0.305 13.903 -2.601 1.00 61.25 H new ATOM 0 HH21 ARG A 10 -3.762 14.033 -2.428 1.00 20.32 H new ATOM 0 HH22 ARG A 10 -2.298 14.679 -3.177 1.00 20.32 H new ATOM 155 N ALA A 11 -2.481 6.969 -2.065 1.00 23.50 N ATOM 156 CA ALA A 11 -2.359 6.785 -3.512 1.00 72.32 C ATOM 157 C ALA A 11 -2.378 8.137 -4.242 1.00 61.11 C ATOM 158 O ALA A 11 -3.233 8.988 -3.983 1.00 44.13 O ATOM 159 CB ALA A 11 -3.475 5.885 -4.025 1.00 55.13 C ATOM 0 H ALA A 11 -3.414 6.788 -1.696 1.00 23.50 H new ATOM 0 HA ALA A 11 -1.401 6.306 -3.716 1.00 72.32 H new ATOM 0 HB1 ALA A 11 -3.372 5.756 -5.103 1.00 55.13 H new ATOM 0 HB2 ALA A 11 -3.412 4.913 -3.536 1.00 55.13 H new ATOM 0 HB3 ALA A 11 -4.440 6.341 -3.804 1.00 55.13 H new ATOM 165 N LEU A 12 -1.425 8.330 -5.151 1.00 44.32 N ATOM 166 CA LEU A 12 -1.265 9.610 -5.856 1.00 64.11 C ATOM 167 C LEU A 12 -2.323 9.806 -6.959 1.00 35.41 C ATOM 168 O LEU A 12 -3.102 10.758 -6.925 1.00 3.11 O ATOM 169 CB LEU A 12 0.146 9.696 -6.463 1.00 64.14 C ATOM 170 CG LEU A 12 1.303 9.566 -5.455 1.00 44.13 C ATOM 171 CD1 LEU A 12 2.652 9.556 -6.176 1.00 31.21 C ATOM 172 CD2 LEU A 12 1.248 10.692 -4.421 1.00 63.50 C ATOM 0 H LEU A 12 -0.747 7.617 -5.421 1.00 44.32 H new ATOM 0 HA LEU A 12 -1.406 10.406 -5.125 1.00 64.11 H new ATOM 0 HB2 LEU A 12 0.250 8.912 -7.213 1.00 64.14 H new ATOM 0 HB3 LEU A 12 0.243 10.649 -6.982 1.00 64.14 H new ATOM 0 HG LEU A 12 1.193 8.617 -4.930 1.00 44.13 H new ATOM 0 HD11 LEU A 12 3.455 9.463 -5.445 1.00 31.21 H new ATOM 0 HD12 LEU A 12 2.690 8.712 -6.865 1.00 31.21 H new ATOM 0 HD13 LEU A 12 2.774 10.485 -6.733 1.00 31.21 H new ATOM 0 HD21 LEU A 12 2.074 10.581 -3.718 1.00 63.50 H new ATOM 0 HD22 LEU A 12 1.328 11.654 -4.926 1.00 63.50 H new ATOM 0 HD23 LEU A 12 0.303 10.644 -3.880 1.00 63.50 H new ATOM 184 N TYR A 13 -2.338 8.902 -7.938 1.00 11.23 N ATOM 185 CA TYR A 13 -3.234 9.018 -9.101 1.00 62.45 C ATOM 186 C TYR A 13 -3.956 7.688 -9.385 1.00 1.42 C ATOM 187 O TYR A 13 -3.567 6.647 -8.857 1.00 73.50 O ATOM 188 CB TYR A 13 -2.426 9.464 -10.333 1.00 54.53 C ATOM 189 CG TYR A 13 -1.887 10.878 -10.221 1.00 4.20 C ATOM 190 CD1 TYR A 13 -2.715 11.975 -10.441 1.00 50.31 C ATOM 191 CD2 TYR A 13 -0.558 11.117 -9.885 1.00 32.31 C ATOM 192 CE1 TYR A 13 -2.234 13.265 -10.329 1.00 51.22 C ATOM 193 CE2 TYR A 13 -0.071 12.407 -9.774 1.00 23.43 C ATOM 194 CZ TYR A 13 -0.914 13.476 -9.995 1.00 13.42 C ATOM 195 OH TYR A 13 -0.433 14.765 -9.879 1.00 11.15 O ATOM 0 H TYR A 13 -1.739 8.076 -7.954 1.00 11.23 H new ATOM 0 HA TYR A 13 -3.995 9.766 -8.878 1.00 62.45 H new ATOM 0 HB2 TYR A 13 -1.593 8.776 -10.480 1.00 54.53 H new ATOM 0 HB3 TYR A 13 -3.058 9.393 -11.218 1.00 54.53 H new ATOM 0 HD1 TYR A 13 -3.750 11.815 -10.704 1.00 50.31 H new ATOM 0 HD2 TYR A 13 0.104 10.282 -9.708 1.00 32.31 H new ATOM 0 HE1 TYR A 13 -2.890 14.105 -10.503 1.00 51.22 H new ATOM 0 HE2 TYR A 13 0.964 12.576 -9.516 1.00 23.43 H new ATOM 0 HH TYR A 13 0.516 14.739 -9.637 1.00 11.15 H new ATOM 205 N PRO A 14 -5.028 7.697 -10.211 1.00 42.24 N ATOM 206 CA PRO A 14 -5.765 6.465 -10.540 1.00 74.32 C ATOM 207 C PRO A 14 -4.952 5.481 -11.407 1.00 23.12 C ATOM 208 O PRO A 14 -4.547 5.801 -12.528 1.00 64.13 O ATOM 209 CB PRO A 14 -6.999 6.976 -11.297 1.00 54.11 C ATOM 210 CG PRO A 14 -6.587 8.298 -11.858 1.00 21.55 C ATOM 211 CD PRO A 14 -5.620 8.887 -10.863 1.00 72.23 C ATOM 0 HA PRO A 14 -6.006 5.892 -9.644 1.00 74.32 H new ATOM 0 HB2 PRO A 14 -7.291 6.285 -12.088 1.00 54.11 H new ATOM 0 HB3 PRO A 14 -7.856 7.079 -10.631 1.00 54.11 H new ATOM 0 HG2 PRO A 14 -6.118 8.179 -12.835 1.00 21.55 H new ATOM 0 HG3 PRO A 14 -7.450 8.949 -11.996 1.00 21.55 H new ATOM 0 HD2 PRO A 14 -4.860 9.496 -11.353 1.00 72.23 H new ATOM 0 HD3 PRO A 14 -6.127 9.529 -10.143 1.00 72.23 H new ATOM 219 N PHE A 15 -4.717 4.285 -10.867 1.00 41.11 N ATOM 220 CA PHE A 15 -4.029 3.205 -11.589 1.00 60.32 C ATOM 221 C PHE A 15 -4.933 1.969 -11.704 1.00 20.32 C ATOM 222 O PHE A 15 -5.807 1.745 -10.864 1.00 34.13 O ATOM 223 CB PHE A 15 -2.712 2.834 -10.886 1.00 65.25 C ATOM 224 CG PHE A 15 -1.670 3.927 -10.937 1.00 43.21 C ATOM 225 CD1 PHE A 15 -0.896 4.111 -12.075 1.00 32.24 C ATOM 226 CD2 PHE A 15 -1.468 4.772 -9.854 1.00 1.23 C ATOM 227 CE1 PHE A 15 0.054 5.113 -12.131 1.00 63.22 C ATOM 228 CE2 PHE A 15 -0.519 5.777 -9.907 1.00 3.45 C ATOM 229 CZ PHE A 15 0.242 5.946 -11.046 1.00 54.14 C ATOM 0 H PHE A 15 -4.996 4.034 -9.919 1.00 41.11 H new ATOM 0 HA PHE A 15 -3.799 3.563 -12.592 1.00 60.32 H new ATOM 0 HB2 PHE A 15 -2.922 2.592 -9.844 1.00 65.25 H new ATOM 0 HB3 PHE A 15 -2.305 1.934 -11.347 1.00 65.25 H new ATOM 0 HD1 PHE A 15 -1.038 3.463 -12.927 1.00 32.24 H new ATOM 0 HD2 PHE A 15 -2.059 4.643 -8.959 1.00 1.23 H new ATOM 0 HE1 PHE A 15 0.649 5.244 -13.023 1.00 63.22 H new ATOM 0 HE2 PHE A 15 -0.374 6.429 -9.058 1.00 3.45 H new ATOM 0 HZ PHE A 15 0.984 6.729 -11.089 1.00 54.14 H new ATOM 367 N LEU A 23 -4.436 -4.690 -6.829 1.00 33.31 N ATOM 368 CA LEU A 23 -5.199 -3.625 -6.167 1.00 24.54 C ATOM 369 C LEU A 23 -5.067 -2.272 -6.891 1.00 23.13 C ATOM 370 O LEU A 23 -3.967 -1.734 -7.037 1.00 45.24 O ATOM 371 CB LEU A 23 -4.753 -3.498 -4.702 1.00 3.23 C ATOM 372 CG LEU A 23 -5.681 -2.673 -3.796 1.00 64.15 C ATOM 373 CD1 LEU A 23 -7.097 -3.242 -3.811 1.00 54.14 C ATOM 374 CD2 LEU A 23 -5.134 -2.629 -2.371 1.00 15.42 C ATOM 0 HA LEU A 23 -6.253 -3.902 -6.205 1.00 24.54 H new ATOM 0 HB2 LEU A 23 -4.659 -4.499 -4.281 1.00 3.23 H new ATOM 0 HB3 LEU A 23 -3.760 -3.049 -4.681 1.00 3.23 H new ATOM 0 HG LEU A 23 -5.720 -1.654 -4.182 1.00 64.15 H new ATOM 0 HD11 LEU A 23 -7.737 -2.643 -3.163 1.00 54.14 H new ATOM 0 HD12 LEU A 23 -7.488 -3.219 -4.828 1.00 54.14 H new ATOM 0 HD13 LEU A 23 -7.079 -4.271 -3.452 1.00 54.14 H new ATOM 0 HD21 LEU A 23 -5.803 -2.041 -1.743 1.00 15.42 H new ATOM 0 HD22 LEU A 23 -5.064 -3.643 -1.977 1.00 15.42 H new ATOM 0 HD23 LEU A 23 -4.145 -2.172 -2.375 1.00 15.42 H new ATOM 386 N GLU A 24 -6.202 -1.731 -7.346 1.00 74.11 N ATOM 387 CA GLU A 24 -6.241 -0.399 -7.966 1.00 41.43 C ATOM 388 C GLU A 24 -5.877 0.714 -6.966 1.00 71.54 C ATOM 389 O GLU A 24 -6.095 0.588 -5.760 1.00 24.04 O ATOM 390 CB GLU A 24 -7.635 -0.106 -8.555 1.00 25.31 C ATOM 391 CG GLU A 24 -7.895 -0.710 -9.936 1.00 54.13 C ATOM 392 CD GLU A 24 -7.935 -2.227 -9.940 1.00 12.22 C ATOM 393 OE1 GLU A 24 -8.809 -2.800 -9.256 1.00 44.43 O ATOM 394 OE2 GLU A 24 -7.116 -2.848 -10.652 1.00 42.42 O ATOM 0 H GLU A 24 -7.109 -2.195 -7.297 1.00 74.11 H new ATOM 0 HA GLU A 24 -5.498 -0.407 -8.764 1.00 41.43 H new ATOM 0 HB2 GLU A 24 -8.390 -0.480 -7.864 1.00 25.31 H new ATOM 0 HB3 GLU A 24 -7.767 0.974 -8.617 1.00 25.31 H new ATOM 0 HG2 GLU A 24 -8.843 -0.329 -10.317 1.00 54.13 H new ATOM 0 HG3 GLU A 24 -7.118 -0.374 -10.622 1.00 54.13 H new ATOM 401 N LEU A 25 -5.329 1.805 -7.489 1.00 11.43 N ATOM 402 CA LEU A 25 -5.003 2.986 -6.681 1.00 61.44 C ATOM 403 C LEU A 25 -5.802 4.204 -7.169 1.00 5.14 C ATOM 404 O LEU A 25 -5.903 4.437 -8.369 1.00 61.34 O ATOM 405 CB LEU A 25 -3.496 3.275 -6.764 1.00 51.10 C ATOM 406 CG LEU A 25 -2.577 2.145 -6.267 1.00 50.14 C ATOM 407 CD1 LEU A 25 -1.109 2.504 -6.484 1.00 32.35 C ATOM 408 CD2 LEU A 25 -2.846 1.844 -4.796 1.00 41.14 C ATOM 0 H LEU A 25 -5.097 1.901 -8.478 1.00 11.43 H new ATOM 0 HA LEU A 25 -5.271 2.788 -5.643 1.00 61.44 H new ATOM 0 HB2 LEU A 25 -3.243 3.496 -7.801 1.00 51.10 H new ATOM 0 HB3 LEU A 25 -3.284 4.174 -6.185 1.00 51.10 H new ATOM 0 HG LEU A 25 -2.795 1.248 -6.847 1.00 50.14 H new ATOM 0 HD11 LEU A 25 -0.479 1.690 -6.125 1.00 32.35 H new ATOM 0 HD12 LEU A 25 -0.927 2.663 -7.547 1.00 32.35 H new ATOM 0 HD13 LEU A 25 -0.872 3.416 -5.935 1.00 32.35 H new ATOM 0 HD21 LEU A 25 -2.187 1.042 -4.462 1.00 41.14 H new ATOM 0 HD22 LEU A 25 -2.659 2.738 -4.202 1.00 41.14 H new ATOM 0 HD23 LEU A 25 -3.884 1.536 -4.672 1.00 41.14 H new ATOM 420 N LEU A 26 -6.388 4.965 -6.245 1.00 13.41 N ATOM 421 CA LEU A 26 -7.194 6.147 -6.607 1.00 20.34 C ATOM 422 C LEU A 26 -6.548 7.454 -6.099 1.00 21.24 C ATOM 423 O LEU A 26 -5.793 7.448 -5.128 1.00 4.25 O ATOM 424 CB LEU A 26 -8.632 6.004 -6.063 1.00 61.45 C ATOM 425 CG LEU A 26 -9.592 5.130 -6.902 1.00 41.24 C ATOM 426 CD1 LEU A 26 -9.751 5.697 -8.311 1.00 63.34 C ATOM 427 CD2 LEU A 26 -9.120 3.680 -6.956 1.00 5.52 C ATOM 0 H LEU A 26 -6.324 4.791 -5.242 1.00 13.41 H new ATOM 0 HA LEU A 26 -7.233 6.202 -7.695 1.00 20.34 H new ATOM 0 HB2 LEU A 26 -8.579 5.587 -5.057 1.00 61.45 H new ATOM 0 HB3 LEU A 26 -9.065 7.000 -5.972 1.00 61.45 H new ATOM 0 HG LEU A 26 -10.566 5.146 -6.413 1.00 41.24 H new ATOM 0 HD11 LEU A 26 -10.431 5.065 -8.883 1.00 63.34 H new ATOM 0 HD12 LEU A 26 -10.156 6.707 -8.253 1.00 63.34 H new ATOM 0 HD13 LEU A 26 -8.779 5.724 -8.804 1.00 63.34 H new ATOM 0 HD21 LEU A 26 -9.817 3.092 -7.553 1.00 5.52 H new ATOM 0 HD22 LEU A 26 -8.129 3.637 -7.408 1.00 5.52 H new ATOM 0 HD23 LEU A 26 -9.076 3.274 -5.946 1.00 5.52 H new ATOM 439 N PRO A 27 -6.842 8.601 -6.750 1.00 72.23 N ATOM 440 CA PRO A 27 -6.227 9.896 -6.393 1.00 40.24 C ATOM 441 C PRO A 27 -6.580 10.364 -4.967 1.00 22.41 C ATOM 442 O PRO A 27 -7.748 10.597 -4.640 1.00 10.12 O ATOM 443 CB PRO A 27 -6.788 10.864 -7.449 1.00 24.41 C ATOM 444 CG PRO A 27 -8.047 10.220 -7.927 1.00 30.23 C ATOM 445 CD PRO A 27 -7.791 8.738 -7.870 1.00 32.33 C ATOM 0 HA PRO A 27 -5.139 9.835 -6.390 1.00 40.24 H new ATOM 0 HB2 PRO A 27 -6.985 11.847 -7.020 1.00 24.41 H new ATOM 0 HB3 PRO A 27 -6.083 11.009 -8.267 1.00 24.41 H new ATOM 0 HG2 PRO A 27 -8.892 10.496 -7.297 1.00 30.23 H new ATOM 0 HG3 PRO A 27 -8.289 10.537 -8.941 1.00 30.23 H new ATOM 0 HD2 PRO A 27 -8.709 8.178 -7.691 1.00 32.33 H new ATOM 0 HD3 PRO A 27 -7.368 8.367 -8.803 1.00 32.33 H new ATOM 453 N GLY A 28 -5.558 10.481 -4.118 1.00 21.35 N ATOM 454 CA GLY A 28 -5.765 10.921 -2.741 1.00 2.43 C ATOM 455 C GLY A 28 -6.410 9.856 -1.857 1.00 50.22 C ATOM 456 O GLY A 28 -6.981 10.173 -0.809 1.00 65.54 O ATOM 0 H GLY A 28 -4.588 10.279 -4.358 1.00 21.35 H new ATOM 0 HA2 GLY A 28 -4.806 11.208 -2.311 1.00 2.43 H new ATOM 0 HA3 GLY A 28 -6.393 11.812 -2.742 1.00 2.43 H new ATOM 460 N ASP A 29 -6.311 8.597 -2.275 1.00 0.33 N ATOM 461 CA ASP A 29 -6.915 7.476 -1.547 1.00 2.15 C ATOM 462 C ASP A 29 -6.019 6.998 -0.387 1.00 54.41 C ATOM 463 O ASP A 29 -4.804 7.204 -0.399 1.00 22.24 O ATOM 464 CB ASP A 29 -7.187 6.327 -2.526 1.00 71.24 C ATOM 465 CG ASP A 29 -7.821 5.117 -1.868 1.00 30.23 C ATOM 466 OD1 ASP A 29 -8.690 5.302 -0.986 1.00 72.41 O ATOM 467 OD2 ASP A 29 -7.473 3.983 -2.246 1.00 24.41 O ATOM 0 H ASP A 29 -5.814 8.322 -3.122 1.00 0.33 H new ATOM 0 HA ASP A 29 -7.853 7.815 -1.107 1.00 2.15 H new ATOM 0 HB2 ASP A 29 -7.841 6.684 -3.322 1.00 71.24 H new ATOM 0 HB3 ASP A 29 -6.249 6.028 -2.994 1.00 71.24 H new ATOM 472 N VAL A 30 -6.631 6.360 0.612 1.00 73.32 N ATOM 473 CA VAL A 30 -5.904 5.860 1.785 1.00 44.12 C ATOM 474 C VAL A 30 -5.997 4.329 1.894 1.00 23.41 C ATOM 475 O VAL A 30 -7.085 3.765 2.027 1.00 72.52 O ATOM 476 CB VAL A 30 -6.450 6.486 3.096 1.00 21.12 C ATOM 477 CG1 VAL A 30 -5.697 5.948 4.313 1.00 22.52 C ATOM 478 CG2 VAL A 30 -6.374 8.011 3.043 1.00 24.41 C ATOM 0 H VAL A 30 -7.634 6.176 0.634 1.00 73.32 H new ATOM 0 HA VAL A 30 -4.862 6.149 1.651 1.00 44.12 H new ATOM 0 HB VAL A 30 -7.498 6.201 3.194 1.00 21.12 H new ATOM 0 HG11 VAL A 30 -6.098 6.402 5.219 1.00 22.52 H new ATOM 0 HG12 VAL A 30 -5.817 4.866 4.366 1.00 22.52 H new ATOM 0 HG13 VAL A 30 -4.638 6.192 4.223 1.00 22.52 H new ATOM 0 HG21 VAL A 30 -6.762 8.427 3.973 1.00 24.41 H new ATOM 0 HG22 VAL A 30 -5.337 8.319 2.913 1.00 24.41 H new ATOM 0 HG23 VAL A 30 -6.969 8.376 2.206 1.00 24.41 H new ATOM 488 N LEU A 31 -4.845 3.662 1.838 1.00 54.42 N ATOM 489 CA LEU A 31 -4.787 2.206 1.984 1.00 55.33 C ATOM 490 C LEU A 31 -4.197 1.814 3.348 1.00 10.51 C ATOM 491 O LEU A 31 -3.174 2.356 3.775 1.00 20.02 O ATOM 492 CB LEU A 31 -3.969 1.573 0.845 1.00 30.14 C ATOM 493 CG LEU A 31 -4.544 1.778 -0.573 1.00 10.54 C ATOM 494 CD1 LEU A 31 -4.308 3.201 -1.078 1.00 43.23 C ATOM 495 CD2 LEU A 31 -3.960 0.762 -1.545 1.00 24.15 C ATOM 0 H LEU A 31 -3.938 4.106 1.693 1.00 54.42 H new ATOM 0 HA LEU A 31 -5.807 1.825 1.929 1.00 55.33 H new ATOM 0 HB2 LEU A 31 -2.960 1.984 0.873 1.00 30.14 H new ATOM 0 HB3 LEU A 31 -3.883 0.503 1.033 1.00 30.14 H new ATOM 0 HG LEU A 31 -5.621 1.623 -0.513 1.00 10.54 H new ATOM 0 HD11 LEU A 31 -4.727 3.306 -2.079 1.00 43.23 H new ATOM 0 HD12 LEU A 31 -4.791 3.910 -0.406 1.00 43.23 H new ATOM 0 HD13 LEU A 31 -3.237 3.403 -1.110 1.00 43.23 H new ATOM 0 HD21 LEU A 31 -4.379 0.925 -2.538 1.00 24.15 H new ATOM 0 HD22 LEU A 31 -2.877 0.878 -1.585 1.00 24.15 H new ATOM 0 HD23 LEU A 31 -4.205 -0.246 -1.209 1.00 24.15 H new ATOM 507 N VAL A 32 -4.850 0.870 4.022 1.00 25.41 N ATOM 508 CA VAL A 32 -4.453 0.457 5.377 1.00 71.50 C ATOM 509 C VAL A 32 -3.505 -0.759 5.362 1.00 30.34 C ATOM 510 O VAL A 32 -3.889 -1.857 4.943 1.00 25.11 O ATOM 511 CB VAL A 32 -5.704 0.119 6.233 1.00 72.14 C ATOM 512 CG1 VAL A 32 -5.298 -0.313 7.641 1.00 4.51 C ATOM 513 CG2 VAL A 32 -6.663 1.311 6.283 1.00 32.15 C ATOM 0 H VAL A 32 -5.661 0.371 3.655 1.00 25.41 H new ATOM 0 HA VAL A 32 -3.919 1.299 5.817 1.00 71.50 H new ATOM 0 HB VAL A 32 -6.224 -0.715 5.762 1.00 72.14 H new ATOM 0 HG11 VAL A 32 -6.191 -0.545 8.222 1.00 4.51 H new ATOM 0 HG12 VAL A 32 -4.664 -1.198 7.582 1.00 4.51 H new ATOM 0 HG13 VAL A 32 -4.749 0.495 8.125 1.00 4.51 H new ATOM 0 HG21 VAL A 32 -7.533 1.053 6.888 1.00 32.15 H new ATOM 0 HG22 VAL A 32 -6.155 2.168 6.725 1.00 32.15 H new ATOM 0 HG23 VAL A 32 -6.985 1.561 5.272 1.00 32.15 H new ATOM 523 N VAL A 33 -2.266 -0.557 5.829 1.00 44.31 N ATOM 524 CA VAL A 33 -1.267 -1.636 5.903 1.00 31.42 C ATOM 525 C VAL A 33 -0.661 -1.745 7.316 1.00 74.41 C ATOM 526 O VAL A 33 -0.042 -0.804 7.811 1.00 63.31 O ATOM 527 CB VAL A 33 -0.123 -1.423 4.878 1.00 73.44 C ATOM 528 CG1 VAL A 33 0.898 -2.560 4.951 1.00 0.03 C ATOM 529 CG2 VAL A 33 -0.682 -1.284 3.461 1.00 13.33 C ATOM 0 H VAL A 33 -1.929 0.346 6.163 1.00 44.31 H new ATOM 0 HA VAL A 33 -1.791 -2.562 5.665 1.00 31.42 H new ATOM 0 HB VAL A 33 0.389 -0.495 5.134 1.00 73.44 H new ATOM 0 HG11 VAL A 33 1.689 -2.386 4.222 1.00 0.03 H new ATOM 0 HG12 VAL A 33 1.329 -2.599 5.952 1.00 0.03 H new ATOM 0 HG13 VAL A 33 0.405 -3.507 4.732 1.00 0.03 H new ATOM 0 HG21 VAL A 33 0.139 -1.135 2.759 1.00 13.33 H new ATOM 0 HG22 VAL A 33 -1.228 -2.189 3.195 1.00 13.33 H new ATOM 0 HG23 VAL A 33 -1.356 -0.428 3.418 1.00 13.33 H new ATOM 539 N SER A 34 -0.841 -2.896 7.960 1.00 70.41 N ATOM 540 CA SER A 34 -0.330 -3.114 9.325 1.00 65.42 C ATOM 541 C SER A 34 1.184 -3.359 9.338 1.00 13.14 C ATOM 542 O SER A 34 1.760 -3.815 8.346 1.00 52.33 O ATOM 543 CB SER A 34 -1.031 -4.312 9.978 1.00 31.15 C ATOM 544 OG SER A 34 -0.642 -5.538 9.369 1.00 1.11 O ATOM 0 H SER A 34 -1.336 -3.696 7.565 1.00 70.41 H new ATOM 0 HA SER A 34 -0.540 -2.205 9.889 1.00 65.42 H new ATOM 0 HB2 SER A 34 -0.791 -4.340 11.041 1.00 31.15 H new ATOM 0 HB3 SER A 34 -2.111 -4.191 9.898 1.00 31.15 H new ATOM 0 HG SER A 34 -1.217 -6.262 9.695 1.00 1.11 H new ATOM 550 N ARG A 35 1.836 -3.075 10.474 1.00 23.44 N ATOM 551 CA ARG A 35 3.269 -3.368 10.618 1.00 1.44 C ATOM 552 C ARG A 35 3.521 -4.877 10.493 1.00 53.43 C ATOM 553 O ARG A 35 4.602 -5.305 10.093 1.00 54.52 O ATOM 554 CB ARG A 35 3.826 -2.855 11.957 1.00 23.45 C ATOM 555 CG ARG A 35 3.589 -1.368 12.207 1.00 22.30 C ATOM 556 CD ARG A 35 4.439 -0.835 13.364 1.00 10.25 C ATOM 557 NE ARG A 35 5.822 -0.578 12.966 1.00 74.14 N ATOM 558 CZ ARG A 35 6.815 -0.417 13.799 1.00 12.32 C ATOM 559 NH1 ARG A 35 6.643 -0.544 15.076 1.00 62.21 N ATOM 560 NH2 ARG A 35 7.987 -0.117 13.349 1.00 13.00 N ATOM 0 H ARG A 35 1.403 -2.650 11.294 1.00 23.44 H new ATOM 0 HA ARG A 35 3.790 -2.845 9.816 1.00 1.44 H new ATOM 0 HB2 ARG A 35 3.372 -3.425 12.768 1.00 23.45 H new ATOM 0 HB3 ARG A 35 4.898 -3.051 11.990 1.00 23.45 H new ATOM 0 HG2 ARG A 35 3.819 -0.807 11.301 1.00 22.30 H new ATOM 0 HG3 ARG A 35 2.534 -1.201 12.426 1.00 22.30 H new ATOM 0 HD2 ARG A 35 3.996 0.086 13.743 1.00 10.25 H new ATOM 0 HD3 ARG A 35 4.427 -1.555 14.182 1.00 10.25 H new ATOM 0 HE ARG A 35 6.026 -0.520 11.968 1.00 74.14 H new ATOM 0 HH11 ARG A 35 5.721 -0.773 15.446 1.00 62.21 H new ATOM 0 HH12 ARG A 35 7.430 -0.415 15.712 1.00 62.21 H new ATOM 0 HH21 ARG A 35 8.135 -0.006 12.346 1.00 13.00 H new ATOM 0 HH22 ARG A 35 8.765 0.010 13.997 1.00 13.00 H new ATOM 574 N ALA A 36 2.505 -5.674 10.828 1.00 3.54 N ATOM 575 CA ALA A 36 2.573 -7.131 10.674 1.00 10.21 C ATOM 576 C ALA A 36 2.712 -7.520 9.195 1.00 52.15 C ATOM 577 O ALA A 36 3.566 -8.331 8.831 1.00 73.44 O ATOM 578 CB ALA A 36 1.338 -7.778 11.290 1.00 42.44 C ATOM 0 H ALA A 36 1.622 -5.335 11.209 1.00 3.54 H new ATOM 0 HA ALA A 36 3.457 -7.495 11.198 1.00 10.21 H new ATOM 0 HB1 ALA A 36 1.397 -8.860 11.171 1.00 42.44 H new ATOM 0 HB2 ALA A 36 1.289 -7.531 12.351 1.00 42.44 H new ATOM 0 HB3 ALA A 36 0.444 -7.406 10.789 1.00 42.44 H new ATOM 584 N ALA A 37 1.875 -6.921 8.344 1.00 11.25 N ATOM 585 CA ALA A 37 1.969 -7.123 6.893 1.00 71.10 C ATOM 586 C ALA A 37 3.353 -6.704 6.369 1.00 30.35 C ATOM 587 O ALA A 37 3.951 -7.389 5.536 1.00 65.42 O ATOM 588 CB ALA A 37 0.865 -6.344 6.179 1.00 42.42 C ATOM 0 H ALA A 37 1.125 -6.293 8.633 1.00 11.25 H new ATOM 0 HA ALA A 37 1.838 -8.185 6.685 1.00 71.10 H new ATOM 0 HB1 ALA A 37 0.945 -6.502 5.104 1.00 42.42 H new ATOM 0 HB2 ALA A 37 -0.108 -6.692 6.525 1.00 42.42 H new ATOM 0 HB3 ALA A 37 0.969 -5.281 6.398 1.00 42.42 H new ATOM 594 N LEU A 38 3.860 -5.581 6.878 1.00 5.34 N ATOM 595 CA LEU A 38 5.206 -5.104 6.533 1.00 20.31 C ATOM 596 C LEU A 38 6.282 -6.145 6.901 1.00 41.21 C ATOM 597 O LEU A 38 7.136 -6.489 6.081 1.00 4.02 O ATOM 598 CB LEU A 38 5.490 -3.771 7.241 1.00 1.14 C ATOM 599 CG LEU A 38 4.579 -2.604 6.822 1.00 3.33 C ATOM 600 CD1 LEU A 38 4.846 -1.371 7.682 1.00 45.23 C ATOM 601 CD2 LEU A 38 4.765 -2.281 5.341 1.00 50.31 C ATOM 0 H LEU A 38 3.359 -4.981 7.533 1.00 5.34 H new ATOM 0 HA LEU A 38 5.245 -4.952 5.454 1.00 20.31 H new ATOM 0 HB2 LEU A 38 5.392 -3.920 8.316 1.00 1.14 H new ATOM 0 HB3 LEU A 38 6.526 -3.490 7.051 1.00 1.14 H new ATOM 0 HG LEU A 38 3.544 -2.908 6.978 1.00 3.33 H new ATOM 0 HD11 LEU A 38 4.190 -0.559 7.367 1.00 45.23 H new ATOM 0 HD12 LEU A 38 4.653 -1.608 8.728 1.00 45.23 H new ATOM 0 HD13 LEU A 38 5.885 -1.064 7.565 1.00 45.23 H new ATOM 0 HD21 LEU A 38 4.112 -1.453 5.064 1.00 50.31 H new ATOM 0 HD22 LEU A 38 5.803 -2.002 5.157 1.00 50.31 H new ATOM 0 HD23 LEU A 38 4.513 -3.157 4.743 1.00 50.31 H new ATOM 613 N GLN A 39 6.229 -6.659 8.130 1.00 64.14 N ATOM 614 CA GLN A 39 7.162 -7.708 8.567 1.00 4.14 C ATOM 615 C GLN A 39 7.004 -8.979 7.716 1.00 10.03 C ATOM 616 O GLN A 39 7.979 -9.681 7.438 1.00 74.34 O ATOM 617 CB GLN A 39 6.956 -8.038 10.053 1.00 14.23 C ATOM 618 CG GLN A 39 7.289 -6.887 11.004 1.00 75.02 C ATOM 619 CD GLN A 39 8.723 -6.395 10.872 1.00 70.40 C ATOM 620 OE1 GLN A 39 9.625 -7.143 10.505 1.00 62.12 O ATOM 621 NE2 GLN A 39 8.952 -5.136 11.182 1.00 51.40 N ATOM 0 H GLN A 39 5.556 -6.371 8.840 1.00 64.14 H new ATOM 0 HA GLN A 39 8.174 -7.327 8.431 1.00 4.14 H new ATOM 0 HB2 GLN A 39 5.918 -8.333 10.207 1.00 14.23 H new ATOM 0 HB3 GLN A 39 7.574 -8.898 10.311 1.00 14.23 H new ATOM 0 HG2 GLN A 39 6.608 -6.058 10.812 1.00 75.02 H new ATOM 0 HG3 GLN A 39 7.116 -7.211 12.030 1.00 75.02 H new ATOM 0 HE21 GLN A 39 8.183 -4.537 11.484 1.00 51.40 H new ATOM 0 HE22 GLN A 39 9.898 -4.759 11.120 1.00 51.40 H new ATOM 630 N ALA A 40 5.772 -9.265 7.298 1.00 61.13 N ATOM 631 CA ALA A 40 5.494 -10.399 6.409 1.00 45.52 C ATOM 632 C ALA A 40 6.141 -10.204 5.024 1.00 50.31 C ATOM 633 O ALA A 40 6.368 -11.167 4.291 1.00 71.22 O ATOM 634 CB ALA A 40 3.989 -10.599 6.270 1.00 12.13 C ATOM 0 H ALA A 40 4.946 -8.727 7.560 1.00 61.13 H new ATOM 0 HA ALA A 40 5.933 -11.291 6.855 1.00 45.52 H new ATOM 0 HB1 ALA A 40 3.794 -11.443 5.608 1.00 12.13 H new ATOM 0 HB2 ALA A 40 3.556 -10.799 7.250 1.00 12.13 H new ATOM 0 HB3 ALA A 40 3.539 -9.698 5.852 1.00 12.13 H new ATOM 640 N LEU A 41 6.427 -8.952 4.671 1.00 31.22 N ATOM 641 CA LEU A 41 7.123 -8.629 3.418 1.00 41.42 C ATOM 642 C LEU A 41 8.647 -8.708 3.584 1.00 31.21 C ATOM 643 O LEU A 41 9.394 -8.575 2.612 1.00 12.54 O ATOM 644 CB LEU A 41 6.737 -7.220 2.944 1.00 3.03 C ATOM 645 CG LEU A 41 5.256 -7.028 2.586 1.00 53.44 C ATOM 646 CD1 LEU A 41 4.972 -5.566 2.247 1.00 72.40 C ATOM 647 CD2 LEU A 41 4.862 -7.944 1.429 1.00 11.23 C ATOM 0 H LEU A 41 6.187 -8.137 5.236 1.00 31.22 H new ATOM 0 HA LEU A 41 6.818 -9.365 2.675 1.00 41.42 H new ATOM 0 HB2 LEU A 41 7.000 -6.507 3.726 1.00 3.03 H new ATOM 0 HB3 LEU A 41 7.340 -6.971 2.071 1.00 3.03 H new ATOM 0 HG LEU A 41 4.652 -7.298 3.452 1.00 53.44 H new ATOM 0 HD11 LEU A 41 3.918 -5.449 1.996 1.00 72.40 H new ATOM 0 HD12 LEU A 41 5.212 -4.940 3.106 1.00 72.40 H new ATOM 0 HD13 LEU A 41 5.583 -5.264 1.396 1.00 72.40 H new ATOM 0 HD21 LEU A 41 3.809 -7.795 1.189 1.00 11.23 H new ATOM 0 HD22 LEU A 41 5.470 -7.709 0.556 1.00 11.23 H new ATOM 0 HD23 LEU A 41 5.025 -8.983 1.716 1.00 11.23 H new ATOM 659 N GLY A 42 9.106 -8.929 4.813 1.00 71.51 N ATOM 660 CA GLY A 42 10.539 -8.930 5.086 1.00 64.13 C ATOM 661 C GLY A 42 11.161 -7.546 4.928 1.00 4.55 C ATOM 662 O GLY A 42 12.224 -7.394 4.321 1.00 33.23 O ATOM 0 H GLY A 42 8.515 -9.107 5.625 1.00 71.51 H new ATOM 0 HA2 GLY A 42 10.713 -9.290 6.100 1.00 64.13 H new ATOM 0 HA3 GLY A 42 11.034 -9.628 4.411 1.00 64.13 H new ATOM 666 N VAL A 43 10.479 -6.532 5.454 1.00 32.04 N ATOM 667 CA VAL A 43 10.956 -5.147 5.389 1.00 11.03 C ATOM 668 C VAL A 43 12.084 -4.895 6.405 1.00 33.15 C ATOM 669 O VAL A 43 12.074 -5.440 7.512 1.00 1.22 O ATOM 670 CB VAL A 43 9.792 -4.147 5.636 1.00 34.41 C ATOM 671 CG1 VAL A 43 10.293 -2.702 5.653 1.00 70.43 C ATOM 672 CG2 VAL A 43 8.696 -4.321 4.582 1.00 62.41 C ATOM 0 H VAL A 43 9.586 -6.642 5.935 1.00 32.04 H new ATOM 0 HA VAL A 43 11.352 -4.987 4.386 1.00 11.03 H new ATOM 0 HB VAL A 43 9.370 -4.367 6.616 1.00 34.41 H new ATOM 0 HG11 VAL A 43 9.454 -2.028 5.828 1.00 70.43 H new ATOM 0 HG12 VAL A 43 11.028 -2.581 6.449 1.00 70.43 H new ATOM 0 HG13 VAL A 43 10.755 -2.466 4.694 1.00 70.43 H new ATOM 0 HG21 VAL A 43 7.891 -3.611 4.774 1.00 62.41 H new ATOM 0 HG22 VAL A 43 9.112 -4.139 3.591 1.00 62.41 H new ATOM 0 HG23 VAL A 43 8.303 -5.337 4.630 1.00 62.41 H new ATOM 682 N ALA A 44 13.053 -4.073 6.012 1.00 75.41 N ATOM 683 CA ALA A 44 14.193 -3.734 6.870 1.00 23.15 C ATOM 684 C ALA A 44 13.773 -2.898 8.092 1.00 10.10 C ATOM 685 O ALA A 44 12.790 -2.157 8.044 1.00 52.04 O ATOM 686 CB ALA A 44 15.248 -2.989 6.061 1.00 33.21 C ATOM 0 H ALA A 44 13.074 -3.624 5.097 1.00 75.41 H new ATOM 0 HA ALA A 44 14.611 -4.668 7.245 1.00 23.15 H new ATOM 0 HB1 ALA A 44 16.092 -2.740 6.705 1.00 33.21 H new ATOM 0 HB2 ALA A 44 15.591 -3.620 5.241 1.00 33.21 H new ATOM 0 HB3 ALA A 44 14.817 -2.073 5.658 1.00 33.21 H new ATOM 692 N GLU A 45 14.522 -3.036 9.186 1.00 12.42 N ATOM 693 CA GLU A 45 14.265 -2.284 10.423 1.00 25.44 C ATOM 694 C GLU A 45 14.178 -0.761 10.173 1.00 40.44 C ATOM 695 O GLU A 45 15.196 -0.076 10.018 1.00 44.42 O ATOM 696 CB GLU A 45 15.368 -2.599 11.450 1.00 61.24 C ATOM 697 CG GLU A 45 15.246 -1.844 12.773 1.00 74.44 C ATOM 698 CD GLU A 45 13.962 -2.151 13.529 1.00 31.54 C ATOM 699 OE1 GLU A 45 13.866 -3.239 14.133 1.00 54.23 O ATOM 700 OE2 GLU A 45 13.055 -1.293 13.544 1.00 43.41 O ATOM 0 H GLU A 45 15.321 -3.668 9.244 1.00 12.42 H new ATOM 0 HA GLU A 45 13.296 -2.596 10.813 1.00 25.44 H new ATOM 0 HB2 GLU A 45 15.358 -3.669 11.656 1.00 61.24 H new ATOM 0 HB3 GLU A 45 16.336 -2.369 11.005 1.00 61.24 H new ATOM 0 HG2 GLU A 45 16.099 -2.093 13.405 1.00 74.44 H new ATOM 0 HG3 GLU A 45 15.296 -0.773 12.577 1.00 74.44 H new ATOM 707 N GLY A 46 12.947 -0.242 10.129 1.00 71.45 N ATOM 708 CA GLY A 46 12.726 1.188 9.899 1.00 41.51 C ATOM 709 C GLY A 46 12.363 1.529 8.452 1.00 21.44 C ATOM 710 O GLY A 46 11.970 2.657 8.152 1.00 42.01 O ATOM 0 H GLY A 46 12.093 -0.787 10.249 1.00 71.45 H new ATOM 0 HA2 GLY A 46 11.928 1.534 10.556 1.00 41.51 H new ATOM 0 HA3 GLY A 46 13.627 1.735 10.177 1.00 41.51 H new ATOM 714 N GLY A 47 12.483 0.548 7.556 1.00 22.34 N ATOM 715 CA GLY A 47 12.214 0.765 6.131 1.00 31.44 C ATOM 716 C GLY A 47 10.728 0.900 5.787 1.00 60.13 C ATOM 717 O GLY A 47 10.370 1.071 4.623 1.00 54.41 O ATOM 0 H GLY A 47 12.764 -0.404 7.790 1.00 22.34 H new ATOM 0 HA2 GLY A 47 12.734 1.667 5.808 1.00 31.44 H new ATOM 0 HA3 GLY A 47 12.633 -0.065 5.563 1.00 31.44 H new ATOM 721 N GLU A 48 9.865 0.833 6.800 1.00 22.41 N ATOM 722 CA GLU A 48 8.410 0.968 6.614 1.00 31.25 C ATOM 723 C GLU A 48 8.037 2.334 6.004 1.00 14.12 C ATOM 724 O GLU A 48 6.942 2.521 5.470 1.00 42.23 O ATOM 725 CB GLU A 48 7.715 0.785 7.969 1.00 52.11 C ATOM 726 CG GLU A 48 8.066 1.866 8.994 1.00 2.54 C ATOM 727 CD GLU A 48 8.170 1.330 10.415 1.00 34.44 C ATOM 728 OE1 GLU A 48 7.377 0.442 10.784 1.00 11.22 O ATOM 729 OE2 GLU A 48 9.063 1.786 11.160 1.00 41.02 O ATOM 0 H GLU A 48 10.146 0.685 7.769 1.00 22.41 H new ATOM 0 HA GLU A 48 8.077 0.200 5.916 1.00 31.25 H new ATOM 0 HB2 GLU A 48 6.636 0.780 7.816 1.00 52.11 H new ATOM 0 HB3 GLU A 48 7.984 -0.190 8.376 1.00 52.11 H new ATOM 0 HG2 GLU A 48 9.013 2.328 8.716 1.00 2.54 H new ATOM 0 HG3 GLU A 48 7.308 2.649 8.962 1.00 2.54 H new ATOM 736 N ARG A 49 8.970 3.281 6.096 1.00 5.01 N ATOM 737 CA ARG A 49 8.809 4.620 5.516 1.00 33.23 C ATOM 738 C ARG A 49 9.213 4.662 4.029 1.00 21.42 C ATOM 739 O ARG A 49 9.288 5.738 3.433 1.00 52.42 O ATOM 740 CB ARG A 49 9.652 5.629 6.310 1.00 43.05 C ATOM 741 CG ARG A 49 11.082 5.154 6.573 1.00 35.41 C ATOM 742 CD ARG A 49 11.913 6.192 7.323 1.00 23.43 C ATOM 743 NE ARG A 49 13.035 5.576 8.035 1.00 34.41 N ATOM 744 CZ ARG A 49 14.284 5.945 7.926 1.00 10.54 C ATOM 745 NH1 ARG A 49 14.648 6.825 7.052 1.00 64.55 N ATOM 746 NH2 ARG A 49 15.178 5.391 8.675 1.00 41.35 N ATOM 0 H ARG A 49 9.860 3.144 6.574 1.00 5.01 H new ATOM 0 HA ARG A 49 7.753 4.882 5.576 1.00 33.23 H new ATOM 0 HB2 ARG A 49 9.685 6.572 5.764 1.00 43.05 H new ATOM 0 HB3 ARG A 49 9.163 5.829 7.263 1.00 43.05 H new ATOM 0 HG2 ARG A 49 11.054 4.230 7.150 1.00 35.41 H new ATOM 0 HG3 ARG A 49 11.565 4.923 5.624 1.00 35.41 H new ATOM 0 HD2 ARG A 49 12.292 6.933 6.619 1.00 23.43 H new ATOM 0 HD3 ARG A 49 11.278 6.722 8.033 1.00 23.43 H new ATOM 0 HE ARG A 49 12.826 4.800 8.663 1.00 34.41 H new ATOM 0 HH11 ARG A 49 13.955 7.245 6.432 1.00 64.55 H new ATOM 0 HH12 ARG A 49 15.628 7.100 6.983 1.00 64.55 H new ATOM 0 HH21 ARG A 49 14.907 4.671 9.345 1.00 41.35 H new ATOM 0 HH22 ARG A 49 16.155 5.673 8.596 1.00 41.35 H new ATOM 760 N CYS A 50 9.473 3.495 3.436 1.00 11.11 N ATOM 761 CA CYS A 50 9.914 3.416 2.031 1.00 71.50 C ATOM 762 C CYS A 50 9.148 2.339 1.237 1.00 42.11 C ATOM 763 O CYS A 50 9.678 1.256 0.969 1.00 72.21 O ATOM 764 CB CYS A 50 11.421 3.132 1.969 1.00 2.22 C ATOM 765 SG CYS A 50 12.438 4.349 2.838 1.00 72.31 S ATOM 0 H CYS A 50 9.388 2.591 3.900 1.00 11.11 H new ATOM 0 HA CYS A 50 9.698 4.380 1.570 1.00 71.50 H new ATOM 0 HB2 CYS A 50 11.612 2.146 2.393 1.00 2.22 H new ATOM 0 HB3 CYS A 50 11.730 3.095 0.924 1.00 2.22 H new ATOM 0 HG CYS A 50 13.692 4.023 2.731 1.00 72.31 H new ATOM 771 N PRO A 51 7.891 2.623 0.838 1.00 11.54 N ATOM 772 CA PRO A 51 7.066 1.672 0.063 1.00 15.15 C ATOM 773 C PRO A 51 7.647 1.365 -1.329 1.00 71.10 C ATOM 774 O PRO A 51 7.515 0.248 -1.839 1.00 30.45 O ATOM 775 CB PRO A 51 5.708 2.385 -0.051 1.00 65.53 C ATOM 776 CG PRO A 51 6.007 3.833 0.160 1.00 33.42 C ATOM 777 CD PRO A 51 7.168 3.881 1.118 1.00 5.34 C ATOM 0 HA PRO A 51 7.010 0.699 0.550 1.00 15.15 H new ATOM 0 HB2 PRO A 51 5.255 2.215 -1.028 1.00 65.53 H new ATOM 0 HB3 PRO A 51 5.005 2.015 0.696 1.00 65.53 H new ATOM 0 HG2 PRO A 51 6.258 4.321 -0.782 1.00 33.42 H new ATOM 0 HG3 PRO A 51 5.142 4.355 0.569 1.00 33.42 H new ATOM 0 HD2 PRO A 51 7.797 4.754 0.944 1.00 5.34 H new ATOM 0 HD3 PRO A 51 6.833 3.931 2.154 1.00 5.34 H new ATOM 785 N GLN A 52 8.306 2.356 -1.935 1.00 53.31 N ATOM 786 CA GLN A 52 8.945 2.178 -3.244 1.00 60.44 C ATOM 787 C GLN A 52 10.039 1.098 -3.185 1.00 3.23 C ATOM 788 O GLN A 52 10.204 0.312 -4.119 1.00 62.41 O ATOM 789 CB GLN A 52 9.547 3.510 -3.726 1.00 74.12 C ATOM 790 CG GLN A 52 10.262 3.422 -5.071 1.00 2.12 C ATOM 791 CD GLN A 52 10.903 4.737 -5.490 1.00 33.24 C ATOM 792 OE1 GLN A 52 10.420 5.818 -5.160 1.00 0.14 O ATOM 793 NE2 GLN A 52 12.004 4.659 -6.204 1.00 14.23 N ATOM 0 H GLN A 52 8.412 3.291 -1.541 1.00 53.31 H new ATOM 0 HA GLN A 52 8.182 1.852 -3.951 1.00 60.44 H new ATOM 0 HB2 GLN A 52 8.751 4.251 -3.798 1.00 74.12 H new ATOM 0 HB3 GLN A 52 10.251 3.870 -2.976 1.00 74.12 H new ATOM 0 HG2 GLN A 52 11.030 2.650 -5.018 1.00 2.12 H new ATOM 0 HG3 GLN A 52 9.550 3.111 -5.835 1.00 2.12 H new ATOM 0 HE21 GLN A 52 12.381 3.747 -6.462 1.00 14.23 H new ATOM 0 HE22 GLN A 52 12.482 5.510 -6.500 1.00 14.23 H new ATOM 802 N SER A 53 10.771 1.060 -2.071 1.00 71.30 N ATOM 803 CA SER A 53 11.855 0.082 -1.876 1.00 42.13 C ATOM 804 C SER A 53 11.328 -1.361 -1.900 1.00 73.22 C ATOM 805 O SER A 53 11.965 -2.253 -2.465 1.00 10.31 O ATOM 806 CB SER A 53 12.576 0.345 -0.547 1.00 40.35 C ATOM 807 OG SER A 53 13.628 -0.582 -0.330 1.00 33.13 O ATOM 0 H SER A 53 10.636 1.695 -1.284 1.00 71.30 H new ATOM 0 HA SER A 53 12.556 0.202 -2.702 1.00 42.13 H new ATOM 0 HB2 SER A 53 12.977 1.358 -0.545 1.00 40.35 H new ATOM 0 HB3 SER A 53 11.861 0.283 0.274 1.00 40.35 H new ATOM 0 HG SER A 53 14.067 -0.385 0.524 1.00 33.13 H new ATOM 813 N VAL A 54 10.166 -1.580 -1.289 1.00 20.50 N ATOM 814 CA VAL A 54 9.551 -2.913 -1.236 1.00 71.53 C ATOM 815 C VAL A 54 8.912 -3.295 -2.584 1.00 33.42 C ATOM 816 O VAL A 54 8.997 -4.445 -3.025 1.00 44.11 O ATOM 817 CB VAL A 54 8.476 -2.986 -0.121 1.00 74.21 C ATOM 818 CG1 VAL A 54 7.901 -4.400 -0.007 1.00 13.51 C ATOM 819 CG2 VAL A 54 9.052 -2.520 1.218 1.00 65.33 C ATOM 0 H VAL A 54 9.626 -0.852 -0.821 1.00 20.50 H new ATOM 0 HA VAL A 54 10.349 -3.621 -1.013 1.00 71.53 H new ATOM 0 HB VAL A 54 7.661 -2.314 -0.391 1.00 74.21 H new ATOM 0 HG11 VAL A 54 7.149 -4.425 0.782 1.00 13.51 H new ATOM 0 HG12 VAL A 54 7.442 -4.684 -0.954 1.00 13.51 H new ATOM 0 HG13 VAL A 54 8.701 -5.100 0.233 1.00 13.51 H new ATOM 0 HG21 VAL A 54 8.281 -2.579 1.986 1.00 65.33 H new ATOM 0 HG22 VAL A 54 9.891 -3.159 1.495 1.00 65.33 H new ATOM 0 HG23 VAL A 54 9.395 -1.489 1.127 1.00 65.33 H new ATOM 829 N GLY A 55 8.269 -2.325 -3.231 1.00 42.41 N ATOM 830 CA GLY A 55 7.652 -2.564 -4.536 1.00 3.45 C ATOM 831 C GLY A 55 6.233 -3.120 -4.443 1.00 20.12 C ATOM 832 O GLY A 55 5.264 -2.425 -4.750 1.00 61.22 O ATOM 0 H GLY A 55 8.162 -1.374 -2.878 1.00 42.41 H new ATOM 0 HA2 GLY A 55 7.632 -1.630 -5.097 1.00 3.45 H new ATOM 0 HA3 GLY A 55 8.271 -3.261 -5.100 1.00 3.45 H new ATOM 836 N TRP A 56 6.114 -4.378 -4.028 1.00 33.42 N ATOM 837 CA TRP A 56 4.803 -5.030 -3.869 1.00 70.03 C ATOM 838 C TRP A 56 4.358 -4.999 -2.399 1.00 70.24 C ATOM 839 O TRP A 56 5.123 -5.368 -1.504 1.00 75.32 O ATOM 840 CB TRP A 56 4.857 -6.479 -4.386 1.00 72.54 C ATOM 841 CG TRP A 56 5.819 -7.361 -3.639 1.00 0.42 C ATOM 842 CD1 TRP A 56 7.183 -7.292 -3.657 1.00 64.00 C ATOM 843 CD2 TRP A 56 5.486 -8.448 -2.766 1.00 22.22 C ATOM 844 NE1 TRP A 56 7.716 -8.268 -2.849 1.00 13.33 N ATOM 845 CE2 TRP A 56 6.694 -8.989 -2.289 1.00 20.24 C ATOM 846 CE3 TRP A 56 4.283 -9.015 -2.342 1.00 1.12 C ATOM 847 CZ2 TRP A 56 6.733 -10.066 -1.406 1.00 34.40 C ATOM 848 CZ3 TRP A 56 4.321 -10.084 -1.467 1.00 60.43 C ATOM 849 CH2 TRP A 56 5.539 -10.600 -1.008 1.00 3.42 C ATOM 0 H TRP A 56 6.908 -4.974 -3.793 1.00 33.42 H new ATOM 0 HA TRP A 56 4.071 -4.479 -4.460 1.00 70.03 H new ATOM 0 HB2 TRP A 56 3.859 -6.913 -4.324 1.00 72.54 H new ATOM 0 HB3 TRP A 56 5.135 -6.467 -5.440 1.00 72.54 H new ATOM 0 HD1 TRP A 56 7.759 -6.575 -4.223 1.00 64.00 H new ATOM 0 HE1 TRP A 56 8.711 -8.429 -2.692 1.00 13.33 H new ATOM 0 HE3 TRP A 56 3.339 -8.625 -2.692 1.00 1.12 H new ATOM 0 HZ2 TRP A 56 7.671 -10.464 -1.049 1.00 34.40 H new ATOM 0 HZ3 TRP A 56 3.396 -10.529 -1.132 1.00 60.43 H new ATOM 0 HH2 TRP A 56 5.535 -11.437 -0.326 1.00 3.42 H new ATOM 860 N MET A 57 3.133 -4.540 -2.145 1.00 63.22 N ATOM 861 CA MET A 57 2.634 -4.400 -0.772 1.00 11.54 C ATOM 862 C MET A 57 1.136 -4.737 -0.675 1.00 71.23 C ATOM 863 O MET A 57 0.309 -4.105 -1.329 1.00 13.23 O ATOM 864 CB MET A 57 2.871 -2.965 -0.269 1.00 45.52 C ATOM 865 CG MET A 57 4.335 -2.540 -0.262 1.00 41.31 C ATOM 866 SD MET A 57 4.569 -0.836 0.290 1.00 50.33 S ATOM 867 CE MET A 57 3.901 -0.917 1.951 1.00 51.41 C ATOM 0 H MET A 57 2.469 -4.259 -2.866 1.00 63.22 H new ATOM 0 HA MET A 57 3.182 -5.106 -0.148 1.00 11.54 H new ATOM 0 HB2 MET A 57 2.307 -2.274 -0.896 1.00 45.52 H new ATOM 0 HB3 MET A 57 2.473 -2.876 0.742 1.00 45.52 H new ATOM 0 HG2 MET A 57 4.899 -3.208 0.389 1.00 41.31 H new ATOM 0 HG3 MET A 57 4.745 -2.651 -1.266 1.00 41.31 H new ATOM 0 HE1 MET A 57 4.524 -0.327 2.623 1.00 51.41 H new ATOM 0 HE2 MET A 57 2.886 -0.519 1.955 1.00 51.41 H new ATOM 0 HE3 MET A 57 3.885 -1.954 2.287 1.00 51.41 H new ATOM 877 N PRO A 58 0.763 -5.738 0.148 1.00 42.11 N ATOM 878 CA PRO A 58 -0.644 -6.088 0.379 1.00 74.44 C ATOM 879 C PRO A 58 -1.311 -5.175 1.423 1.00 13.32 C ATOM 880 O PRO A 58 -0.716 -4.844 2.448 1.00 12.34 O ATOM 881 CB PRO A 58 -0.549 -7.528 0.890 1.00 22.33 C ATOM 882 CG PRO A 58 0.752 -7.575 1.621 1.00 4.41 C ATOM 883 CD PRO A 58 1.676 -6.619 0.902 1.00 21.21 C ATOM 0 HA PRO A 58 -1.258 -5.974 -0.515 1.00 74.44 H new ATOM 0 HB2 PRO A 58 -1.384 -7.773 1.547 1.00 22.33 H new ATOM 0 HB3 PRO A 58 -0.570 -8.244 0.068 1.00 22.33 H new ATOM 0 HG2 PRO A 58 0.624 -7.282 2.663 1.00 4.41 H new ATOM 0 HG3 PRO A 58 1.161 -8.585 1.622 1.00 4.41 H new ATOM 0 HD2 PRO A 58 2.288 -6.052 1.603 1.00 21.21 H new ATOM 0 HD3 PRO A 58 2.359 -7.148 0.238 1.00 21.21 H new ATOM 891 N GLY A 59 -2.549 -4.772 1.155 1.00 63.55 N ATOM 892 CA GLY A 59 -3.262 -3.895 2.074 1.00 33.34 C ATOM 893 C GLY A 59 -4.759 -3.827 1.799 1.00 71.53 C ATOM 894 O GLY A 59 -5.256 -4.430 0.844 1.00 31.21 O ATOM 0 H GLY A 59 -3.073 -5.035 0.320 1.00 63.55 H new ATOM 0 HA2 GLY A 59 -3.102 -4.242 3.095 1.00 33.34 H new ATOM 0 HA3 GLY A 59 -2.841 -2.892 2.009 1.00 33.34 H new ATOM 898 N LEU A 60 -5.484 -3.096 2.642 1.00 45.32 N ATOM 899 CA LEU A 60 -6.934 -2.943 2.482 1.00 63.11 C ATOM 900 C LEU A 60 -7.276 -1.591 1.835 1.00 72.33 C ATOM 901 O LEU A 60 -6.965 -0.531 2.385 1.00 14.01 O ATOM 902 CB LEU A 60 -7.633 -3.077 3.845 1.00 42.34 C ATOM 903 CG LEU A 60 -9.172 -2.992 3.816 1.00 41.03 C ATOM 904 CD1 LEU A 60 -9.763 -4.047 2.883 1.00 64.14 C ATOM 905 CD2 LEU A 60 -9.742 -3.145 5.223 1.00 25.41 C ATOM 0 H LEU A 60 -5.095 -2.599 3.443 1.00 45.32 H new ATOM 0 HA LEU A 60 -7.292 -3.733 1.822 1.00 63.11 H new ATOM 0 HB2 LEU A 60 -7.348 -4.032 4.287 1.00 42.34 H new ATOM 0 HB3 LEU A 60 -7.256 -2.295 4.505 1.00 42.34 H new ATOM 0 HG LEU A 60 -9.448 -2.010 3.433 1.00 41.03 H new ATOM 0 HD11 LEU A 60 -10.850 -3.964 2.882 1.00 64.14 H new ATOM 0 HD12 LEU A 60 -9.386 -3.891 1.872 1.00 64.14 H new ATOM 0 HD13 LEU A 60 -9.475 -5.040 3.228 1.00 64.14 H new ATOM 0 HD21 LEU A 60 -10.829 -3.082 5.184 1.00 25.41 H new ATOM 0 HD22 LEU A 60 -9.449 -4.112 5.631 1.00 25.41 H new ATOM 0 HD23 LEU A 60 -9.356 -2.350 5.861 1.00 25.41 H new ATOM 917 N ASN A 61 -7.910 -1.638 0.665 1.00 75.00 N ATOM 918 CA ASN A 61 -8.289 -0.426 -0.066 1.00 43.14 C ATOM 919 C ASN A 61 -9.670 0.082 0.379 1.00 61.51 C ATOM 920 O ASN A 61 -10.703 -0.439 -0.048 1.00 10.14 O ATOM 921 CB ASN A 61 -8.281 -0.709 -1.574 1.00 2.44 C ATOM 922 CG ASN A 61 -8.661 0.504 -2.401 1.00 32.35 C ATOM 923 OD1 ASN A 61 -9.822 0.700 -2.741 1.00 0.15 O ATOM 924 ND2 ASN A 61 -7.690 1.324 -2.725 1.00 0.35 N ATOM 0 H ASN A 61 -8.174 -2.506 0.199 1.00 75.00 H new ATOM 0 HA ASN A 61 -7.562 0.355 0.157 1.00 43.14 H new ATOM 0 HB2 ASN A 61 -7.289 -1.049 -1.870 1.00 2.44 H new ATOM 0 HB3 ASN A 61 -8.974 -1.522 -1.790 1.00 2.44 H new ATOM 0 HD21 ASN A 61 -7.890 2.158 -3.278 1.00 0.35 H new ATOM 0 HD22 ASN A 61 -6.735 1.128 -2.424 1.00 0.35 H new ATOM 931 N GLU A 62 -9.686 1.098 1.240 1.00 14.14 N ATOM 932 CA GLU A 62 -10.944 1.641 1.772 1.00 64.14 C ATOM 933 C GLU A 62 -11.784 2.327 0.684 1.00 45.55 C ATOM 934 O GLU A 62 -12.990 2.512 0.846 1.00 34.15 O ATOM 935 CB GLU A 62 -10.667 2.626 2.916 1.00 41.45 C ATOM 936 CG GLU A 62 -9.898 2.014 4.084 1.00 61.03 C ATOM 937 CD GLU A 62 -9.910 2.895 5.326 1.00 44.32 C ATOM 938 OE1 GLU A 62 -9.151 3.885 5.371 1.00 13.13 O ATOM 939 OE2 GLU A 62 -10.693 2.605 6.259 1.00 41.11 O ATOM 0 H GLU A 62 -8.847 1.564 1.586 1.00 14.14 H new ATOM 0 HA GLU A 62 -11.519 0.797 2.153 1.00 64.14 H new ATOM 0 HB2 GLU A 62 -10.102 3.473 2.525 1.00 41.45 H new ATOM 0 HB3 GLU A 62 -11.616 3.018 3.283 1.00 41.45 H new ATOM 0 HG2 GLU A 62 -10.330 1.044 4.329 1.00 61.03 H new ATOM 0 HG3 GLU A 62 -8.866 1.836 3.780 1.00 61.03 H new ATOM 946 N ARG A 63 -11.142 2.714 -0.416 1.00 30.12 N ATOM 947 CA ARG A 63 -11.835 3.348 -1.545 1.00 43.32 C ATOM 948 C ARG A 63 -12.935 2.434 -2.110 1.00 73.35 C ATOM 949 O ARG A 63 -14.070 2.860 -2.317 1.00 43.13 O ATOM 950 CB ARG A 63 -10.831 3.662 -2.659 1.00 2.22 C ATOM 951 CG ARG A 63 -11.332 4.633 -3.722 1.00 21.05 C ATOM 952 CD ARG A 63 -11.360 6.075 -3.215 1.00 3.14 C ATOM 953 NE ARG A 63 -11.586 7.029 -4.301 1.00 23.31 N ATOM 954 CZ ARG A 63 -11.128 8.253 -4.314 1.00 24.10 C ATOM 955 NH1 ARG A 63 -10.479 8.734 -3.303 1.00 5.14 N ATOM 956 NH2 ARG A 63 -11.341 9.005 -5.342 1.00 44.04 N ATOM 0 H ARG A 63 -10.138 2.601 -0.554 1.00 30.12 H new ATOM 0 HA ARG A 63 -12.296 4.266 -1.181 1.00 43.32 H new ATOM 0 HB2 ARG A 63 -9.928 4.074 -2.208 1.00 2.22 H new ATOM 0 HB3 ARG A 63 -10.547 2.729 -3.145 1.00 2.22 H new ATOM 0 HG2 ARG A 63 -10.690 4.570 -4.601 1.00 21.05 H new ATOM 0 HG3 ARG A 63 -12.334 4.340 -4.037 1.00 21.05 H new ATOM 0 HD2 ARG A 63 -12.146 6.182 -2.468 1.00 3.14 H new ATOM 0 HD3 ARG A 63 -10.416 6.305 -2.720 1.00 3.14 H new ATOM 0 HE ARG A 63 -12.137 6.718 -5.101 1.00 23.31 H new ATOM 0 HH11 ARG A 63 -10.318 8.156 -2.479 1.00 5.14 H new ATOM 0 HH12 ARG A 63 -10.129 9.692 -3.331 1.00 5.14 H new ATOM 0 HH21 ARG A 63 -11.865 8.643 -6.139 1.00 44.04 H new ATOM 0 HH22 ARG A 63 -10.986 9.961 -5.357 1.00 44.04 H new ATOM 970 N THR A 64 -12.576 1.179 -2.370 1.00 54.21 N ATOM 971 CA THR A 64 -13.506 0.199 -2.958 1.00 73.44 C ATOM 972 C THR A 64 -13.902 -0.894 -1.958 1.00 53.23 C ATOM 973 O THR A 64 -14.700 -1.774 -2.279 1.00 0.33 O ATOM 974 CB THR A 64 -12.886 -0.483 -4.201 1.00 22.31 C ATOM 975 OG1 THR A 64 -11.682 -1.178 -3.830 1.00 71.22 O ATOM 976 CG2 THR A 64 -12.578 0.537 -5.295 1.00 12.13 C ATOM 0 H THR A 64 -11.644 0.809 -2.184 1.00 54.21 H new ATOM 0 HA THR A 64 -14.396 0.761 -3.243 1.00 73.44 H new ATOM 0 HB THR A 64 -13.612 -1.195 -4.593 1.00 22.31 H new ATOM 0 HG1 THR A 64 -11.032 -0.538 -3.472 1.00 71.22 H new ATOM 0 HG21 THR A 64 -12.143 0.028 -6.155 1.00 12.13 H new ATOM 0 HG22 THR A 64 -13.499 1.037 -5.596 1.00 12.13 H new ATOM 0 HG23 THR A 64 -11.872 1.275 -4.916 1.00 12.13 H new ATOM 984 N ARG A 65 -13.336 -0.830 -0.749 1.00 64.15 N ATOM 985 CA ARG A 65 -13.571 -1.842 0.296 1.00 13.43 C ATOM 986 C ARG A 65 -13.049 -3.230 -0.128 1.00 11.51 C ATOM 987 O ARG A 65 -13.449 -4.255 0.429 1.00 43.54 O ATOM 988 CB ARG A 65 -15.067 -1.926 0.681 1.00 0.10 C ATOM 989 CG ARG A 65 -15.589 -0.729 1.485 1.00 52.21 C ATOM 990 CD ARG A 65 -15.690 0.543 0.649 1.00 60.54 C ATOM 991 NE ARG A 65 -16.205 1.669 1.433 1.00 14.04 N ATOM 992 CZ ARG A 65 -17.221 2.412 1.078 1.00 32.52 C ATOM 993 NH1 ARG A 65 -17.810 2.237 -0.060 1.00 34.44 N ATOM 994 NH2 ARG A 65 -17.636 3.349 1.866 1.00 25.43 N ATOM 0 H ARG A 65 -12.705 -0.081 -0.464 1.00 64.15 H new ATOM 0 HA ARG A 65 -13.010 -1.522 1.175 1.00 13.43 H new ATOM 0 HB2 ARG A 65 -15.658 -2.020 -0.230 1.00 0.10 H new ATOM 0 HB3 ARG A 65 -15.229 -2.835 1.261 1.00 0.10 H new ATOM 0 HG2 ARG A 65 -16.571 -0.970 1.892 1.00 52.21 H new ATOM 0 HG3 ARG A 65 -14.928 -0.550 2.333 1.00 52.21 H new ATOM 0 HD2 ARG A 65 -14.707 0.796 0.252 1.00 60.54 H new ATOM 0 HD3 ARG A 65 -16.343 0.366 -0.205 1.00 60.54 H new ATOM 0 HE ARG A 65 -15.740 1.888 2.314 1.00 14.04 H new ATOM 0 HH11 ARG A 65 -17.483 1.510 -0.697 1.00 34.44 H new ATOM 0 HH12 ARG A 65 -18.601 2.826 -0.321 1.00 34.44 H new ATOM 0 HH21 ARG A 65 -17.171 3.506 2.760 1.00 25.43 H new ATOM 0 HH22 ARG A 65 -18.428 3.931 1.593 1.00 25.43 H new ATOM 1008 N GLN A 66 -12.134 -3.255 -1.096 1.00 2.50 N ATOM 1009 CA GLN A 66 -11.563 -4.512 -1.593 1.00 44.51 C ATOM 1010 C GLN A 66 -10.156 -4.761 -1.030 1.00 30.14 C ATOM 1011 O GLN A 66 -9.464 -3.834 -0.599 1.00 31.11 O ATOM 1012 CB GLN A 66 -11.512 -4.505 -3.130 1.00 33.33 C ATOM 1013 CG GLN A 66 -12.886 -4.492 -3.797 1.00 3.34 C ATOM 1014 CD GLN A 66 -13.709 -5.731 -3.479 1.00 22.34 C ATOM 1015 OE1 GLN A 66 -14.465 -5.766 -2.514 1.00 61.04 O ATOM 1016 NE2 GLN A 66 -13.565 -6.766 -4.285 1.00 43.02 N ATOM 0 H GLN A 66 -11.770 -2.419 -1.554 1.00 2.50 H new ATOM 0 HA GLN A 66 -12.211 -5.320 -1.253 1.00 44.51 H new ATOM 0 HB2 GLN A 66 -10.951 -3.631 -3.461 1.00 33.33 H new ATOM 0 HB3 GLN A 66 -10.963 -5.384 -3.469 1.00 33.33 H new ATOM 0 HG2 GLN A 66 -13.433 -3.606 -3.474 1.00 3.34 H new ATOM 0 HG3 GLN A 66 -12.760 -4.413 -4.877 1.00 3.34 H new ATOM 0 HE21 GLN A 66 -12.929 -6.708 -5.080 1.00 43.02 H new ATOM 0 HE22 GLN A 66 -14.090 -7.623 -4.113 1.00 43.02 H new ATOM 1025 N ARG A 67 -9.743 -6.024 -1.034 1.00 75.41 N ATOM 1026 CA ARG A 67 -8.397 -6.410 -0.595 1.00 1.30 C ATOM 1027 C ARG A 67 -7.505 -6.722 -1.806 1.00 50.14 C ATOM 1028 O ARG A 67 -7.998 -7.152 -2.852 1.00 63.20 O ATOM 1029 CB ARG A 67 -8.473 -7.648 0.307 1.00 3.14 C ATOM 1030 CG ARG A 67 -9.495 -7.543 1.437 1.00 72.23 C ATOM 1031 CD ARG A 67 -9.696 -8.893 2.116 1.00 3.22 C ATOM 1032 NE ARG A 67 -10.027 -9.934 1.141 1.00 13.44 N ATOM 1033 CZ ARG A 67 -9.782 -11.203 1.305 1.00 42.31 C ATOM 1034 NH1 ARG A 67 -9.275 -11.639 2.411 1.00 3.53 N ATOM 1035 NH2 ARG A 67 -10.062 -12.040 0.362 1.00 41.05 N ATOM 0 H ARG A 67 -10.322 -6.807 -1.338 1.00 75.41 H new ATOM 0 HA ARG A 67 -7.967 -5.577 -0.039 1.00 1.30 H new ATOM 0 HB2 ARG A 67 -8.716 -8.515 -0.307 1.00 3.14 H new ATOM 0 HB3 ARG A 67 -7.489 -7.829 0.739 1.00 3.14 H new ATOM 0 HG2 ARG A 67 -9.159 -6.809 2.170 1.00 72.23 H new ATOM 0 HG3 ARG A 67 -10.446 -7.186 1.041 1.00 72.23 H new ATOM 0 HD2 ARG A 67 -8.790 -9.171 2.654 1.00 3.22 H new ATOM 0 HD3 ARG A 67 -10.494 -8.816 2.854 1.00 3.22 H new ATOM 0 HE ARG A 67 -10.480 -9.646 0.274 1.00 13.44 H new ATOM 0 HH11 ARG A 67 -9.063 -10.987 3.166 1.00 3.53 H new ATOM 0 HH12 ARG A 67 -9.087 -12.635 2.528 1.00 3.53 H new ATOM 0 HH21 ARG A 67 -10.474 -11.707 -0.510 1.00 41.05 H new ATOM 0 HH22 ARG A 67 -9.871 -13.034 0.489 1.00 41.05 H new ATOM 1049 N GLY A 68 -6.199 -6.512 -1.665 1.00 65.13 N ATOM 1050 CA GLY A 68 -5.283 -6.841 -2.750 1.00 25.44 C ATOM 1051 C GLY A 68 -3.838 -6.447 -2.476 1.00 75.54 C ATOM 1052 O GLY A 68 -3.510 -5.924 -1.407 1.00 21.54 O ATOM 0 H GLY A 68 -5.760 -6.125 -0.830 1.00 65.13 H new ATOM 0 HA2 GLY A 68 -5.328 -7.914 -2.938 1.00 25.44 H new ATOM 0 HA3 GLY A 68 -5.619 -6.344 -3.660 1.00 25.44 H new ATOM 1056 N ASP A 69 -2.974 -6.708 -3.451 1.00 63.00 N ATOM 1057 CA ASP A 69 -1.553 -6.373 -3.353 1.00 5.14 C ATOM 1058 C ASP A 69 -1.221 -5.218 -4.310 1.00 53.42 C ATOM 1059 O ASP A 69 -1.212 -5.396 -5.526 1.00 24.51 O ATOM 1060 CB ASP A 69 -0.714 -7.613 -3.683 1.00 73.22 C ATOM 1061 CG ASP A 69 0.775 -7.401 -3.471 1.00 63.54 C ATOM 1062 OD1 ASP A 69 1.257 -7.653 -2.350 1.00 2.44 O ATOM 1063 OD2 ASP A 69 1.465 -7.007 -4.434 1.00 10.35 O ATOM 0 H ASP A 69 -3.235 -7.156 -4.329 1.00 63.00 H new ATOM 0 HA ASP A 69 -1.320 -6.052 -2.338 1.00 5.14 H new ATOM 0 HB2 ASP A 69 -1.048 -8.445 -3.063 1.00 73.22 H new ATOM 0 HB3 ASP A 69 -0.890 -7.897 -4.720 1.00 73.22 H new ATOM 1068 N PHE A 70 -0.960 -4.034 -3.760 1.00 2.23 N ATOM 1069 CA PHE A 70 -0.764 -2.829 -4.579 1.00 52.01 C ATOM 1070 C PHE A 70 0.726 -2.475 -4.749 1.00 64.41 C ATOM 1071 O PHE A 70 1.550 -2.743 -3.869 1.00 51.34 O ATOM 1072 CB PHE A 70 -1.524 -1.634 -3.967 1.00 71.41 C ATOM 1073 CG PHE A 70 -1.042 -1.221 -2.594 1.00 35.45 C ATOM 1074 CD1 PHE A 70 -1.576 -1.802 -1.452 1.00 51.43 C ATOM 1075 CD2 PHE A 70 -0.063 -0.247 -2.446 1.00 22.41 C ATOM 1076 CE1 PHE A 70 -1.143 -1.424 -0.197 1.00 23.42 C ATOM 1077 CE2 PHE A 70 0.373 0.132 -1.191 1.00 54.22 C ATOM 1078 CZ PHE A 70 -0.167 -0.457 -0.066 1.00 72.31 C ATOM 0 H PHE A 70 -0.879 -3.878 -2.755 1.00 2.23 H new ATOM 0 HA PHE A 70 -1.164 -3.046 -5.569 1.00 52.01 H new ATOM 0 HB2 PHE A 70 -1.437 -0.781 -4.640 1.00 71.41 H new ATOM 0 HB3 PHE A 70 -2.583 -1.886 -3.906 1.00 71.41 H new ATOM 0 HD1 PHE A 70 -2.340 -2.559 -1.547 1.00 51.43 H new ATOM 0 HD2 PHE A 70 0.362 0.220 -3.322 1.00 22.41 H new ATOM 0 HE1 PHE A 70 -1.568 -1.885 0.682 1.00 23.42 H new ATOM 0 HE2 PHE A 70 1.136 0.889 -1.090 1.00 54.22 H new ATOM 0 HZ PHE A 70 0.174 -0.162 0.915 1.00 72.31 H new ATOM 1088 N PRO A 71 1.094 -1.868 -5.899 1.00 64.45 N ATOM 1089 CA PRO A 71 2.466 -1.397 -6.138 1.00 71.15 C ATOM 1090 C PRO A 71 2.825 -0.171 -5.274 1.00 35.14 C ATOM 1091 O PRO A 71 2.449 0.963 -5.587 1.00 32.30 O ATOM 1092 CB PRO A 71 2.463 -1.039 -7.633 1.00 2.44 C ATOM 1093 CG PRO A 71 1.036 -0.730 -7.951 1.00 32.20 C ATOM 1094 CD PRO A 71 0.206 -1.611 -7.053 1.00 32.32 C ATOM 0 HA PRO A 71 3.211 -2.147 -5.873 1.00 71.15 H new ATOM 0 HB2 PRO A 71 3.107 -0.183 -7.836 1.00 2.44 H new ATOM 0 HB3 PRO A 71 2.832 -1.867 -8.238 1.00 2.44 H new ATOM 0 HG2 PRO A 71 0.817 0.323 -7.774 1.00 32.20 H new ATOM 0 HG3 PRO A 71 0.819 -0.929 -9.000 1.00 32.20 H new ATOM 0 HD2 PRO A 71 -0.716 -1.116 -6.747 1.00 32.32 H new ATOM 0 HD3 PRO A 71 -0.080 -2.537 -7.553 1.00 32.32 H new ATOM 1102 N GLY A 72 3.565 -0.408 -4.189 1.00 74.30 N ATOM 1103 CA GLY A 72 3.923 0.659 -3.252 1.00 51.44 C ATOM 1104 C GLY A 72 4.692 1.820 -3.886 1.00 24.20 C ATOM 1105 O GLY A 72 4.771 2.905 -3.315 1.00 52.11 O ATOM 0 H GLY A 72 3.928 -1.328 -3.938 1.00 74.30 H new ATOM 0 HA2 GLY A 72 3.012 1.047 -2.796 1.00 51.44 H new ATOM 0 HA3 GLY A 72 4.525 0.235 -2.449 1.00 51.44 H new ATOM 1109 N THR A 73 5.256 1.596 -5.072 1.00 22.23 N ATOM 1110 CA THR A 73 6.020 2.636 -5.781 1.00 33.15 C ATOM 1111 C THR A 73 5.146 3.830 -6.207 1.00 1.11 C ATOM 1112 O THR A 73 5.668 4.883 -6.583 1.00 65.52 O ATOM 1113 CB THR A 73 6.726 2.067 -7.039 1.00 33.41 C ATOM 1114 OG1 THR A 73 7.498 3.091 -7.688 1.00 61.21 O ATOM 1115 CG2 THR A 73 5.719 1.487 -8.028 1.00 61.42 C ATOM 0 H THR A 73 5.202 0.706 -5.567 1.00 22.23 H new ATOM 0 HA THR A 73 6.764 2.987 -5.066 1.00 33.15 H new ATOM 0 HB THR A 73 7.388 1.266 -6.709 1.00 33.41 H new ATOM 0 HG1 THR A 73 7.121 3.970 -7.475 1.00 61.21 H new ATOM 0 HG21 THR A 73 6.247 1.097 -8.898 1.00 61.42 H new ATOM 0 HG22 THR A 73 5.162 0.681 -7.550 1.00 61.42 H new ATOM 0 HG23 THR A 73 5.027 2.268 -8.343 1.00 61.42 H new ATOM 1123 N TYR A 74 3.823 3.664 -6.162 1.00 54.21 N ATOM 1124 CA TYR A 74 2.889 4.731 -6.561 1.00 43.21 C ATOM 1125 C TYR A 74 2.171 5.362 -5.353 1.00 65.43 C ATOM 1126 O TYR A 74 1.242 6.153 -5.521 1.00 31.14 O ATOM 1127 CB TYR A 74 1.838 4.180 -7.533 1.00 33.42 C ATOM 1128 CG TYR A 74 2.397 3.677 -8.851 1.00 25.02 C ATOM 1129 CD1 TYR A 74 3.158 4.505 -9.669 1.00 32.00 C ATOM 1130 CD2 TYR A 74 2.149 2.379 -9.285 1.00 54.30 C ATOM 1131 CE1 TYR A 74 3.656 4.053 -10.875 1.00 61.52 C ATOM 1132 CE2 TYR A 74 2.639 1.922 -10.493 1.00 25.10 C ATOM 1133 CZ TYR A 74 3.393 2.763 -11.285 1.00 51.20 C ATOM 1134 OH TYR A 74 3.874 2.316 -12.495 1.00 53.21 O ATOM 0 H TYR A 74 3.370 2.804 -5.854 1.00 54.21 H new ATOM 0 HA TYR A 74 3.484 5.506 -7.045 1.00 43.21 H new ATOM 0 HB2 TYR A 74 1.304 3.365 -7.045 1.00 33.42 H new ATOM 0 HB3 TYR A 74 1.107 4.962 -7.738 1.00 33.42 H new ATOM 0 HD1 TYR A 74 3.363 5.518 -9.356 1.00 32.00 H new ATOM 0 HD2 TYR A 74 1.562 1.716 -8.666 1.00 54.30 H new ATOM 0 HE1 TYR A 74 4.250 4.708 -11.495 1.00 61.52 H new ATOM 0 HE2 TYR A 74 2.433 0.912 -10.816 1.00 25.10 H new ATOM 0 HH TYR A 74 3.600 1.385 -12.632 1.00 53.21 H new ATOM 1144 N VAL A 75 2.592 5.012 -4.137 1.00 42.12 N ATOM 1145 CA VAL A 75 1.966 5.554 -2.920 1.00 21.32 C ATOM 1146 C VAL A 75 3.002 6.212 -1.993 1.00 41.12 C ATOM 1147 O VAL A 75 4.191 5.892 -2.037 1.00 30.13 O ATOM 1148 CB VAL A 75 1.199 4.461 -2.127 1.00 64.01 C ATOM 1149 CG1 VAL A 75 0.119 3.811 -2.992 1.00 1.44 C ATOM 1150 CG2 VAL A 75 2.160 3.409 -1.574 1.00 2.31 C ATOM 0 H VAL A 75 3.358 4.361 -3.964 1.00 42.12 H new ATOM 0 HA VAL A 75 1.256 6.310 -3.256 1.00 21.32 H new ATOM 0 HB VAL A 75 0.707 4.945 -1.283 1.00 64.01 H new ATOM 0 HG11 VAL A 75 -0.402 3.050 -2.412 1.00 1.44 H new ATOM 0 HG12 VAL A 75 -0.593 4.570 -3.317 1.00 1.44 H new ATOM 0 HG13 VAL A 75 0.581 3.349 -3.865 1.00 1.44 H new ATOM 0 HG21 VAL A 75 1.597 2.656 -1.023 1.00 2.31 H new ATOM 0 HG22 VAL A 75 2.692 2.934 -2.398 1.00 2.31 H new ATOM 0 HG23 VAL A 75 2.877 3.886 -0.906 1.00 2.31 H new ATOM 1160 N GLU A 76 2.544 7.138 -1.154 1.00 64.22 N ATOM 1161 CA GLU A 76 3.422 7.808 -0.188 1.00 21.20 C ATOM 1162 C GLU A 76 3.064 7.427 1.258 1.00 5.44 C ATOM 1163 O GLU A 76 1.904 7.157 1.580 1.00 53.33 O ATOM 1164 CB GLU A 76 3.351 9.332 -0.358 1.00 25.42 C ATOM 1165 CG GLU A 76 1.984 9.926 -0.046 1.00 52.12 C ATOM 1166 CD GLU A 76 1.982 11.444 -0.097 1.00 32.23 C ATOM 1167 OE1 GLU A 76 2.503 12.073 0.848 1.00 32.52 O ATOM 1168 OE2 GLU A 76 1.469 12.015 -1.076 1.00 54.21 O ATOM 0 H GLU A 76 1.571 7.444 -1.121 1.00 64.22 H new ATOM 0 HA GLU A 76 4.440 7.473 -0.387 1.00 21.20 H new ATOM 0 HB2 GLU A 76 4.094 9.795 0.292 1.00 25.42 H new ATOM 0 HB3 GLU A 76 3.621 9.586 -1.383 1.00 25.42 H new ATOM 0 HG2 GLU A 76 1.254 9.541 -0.758 1.00 52.12 H new ATOM 0 HG3 GLU A 76 1.667 9.599 0.944 1.00 52.12 H new ATOM 1175 N PHE A 77 4.071 7.403 2.121 1.00 74.14 N ATOM 1176 CA PHE A 77 3.886 7.091 3.541 1.00 34.02 C ATOM 1177 C PHE A 77 3.325 8.304 4.305 1.00 63.44 C ATOM 1178 O PHE A 77 3.944 9.372 4.333 1.00 65.54 O ATOM 1179 CB PHE A 77 5.232 6.647 4.138 1.00 23.14 C ATOM 1180 CG PHE A 77 5.209 6.377 5.622 1.00 72.15 C ATOM 1181 CD1 PHE A 77 4.544 5.270 6.134 1.00 30.14 C ATOM 1182 CD2 PHE A 77 5.865 7.224 6.507 1.00 23.15 C ATOM 1183 CE1 PHE A 77 4.536 5.016 7.493 1.00 24.01 C ATOM 1184 CE2 PHE A 77 5.860 6.971 7.865 1.00 62.24 C ATOM 1185 CZ PHE A 77 5.195 5.867 8.358 1.00 3.41 C ATOM 0 H PHE A 77 5.038 7.598 1.862 1.00 74.14 H new ATOM 0 HA PHE A 77 3.162 6.282 3.637 1.00 34.02 H new ATOM 0 HB2 PHE A 77 5.561 5.744 3.624 1.00 23.14 H new ATOM 0 HB3 PHE A 77 5.975 7.418 3.935 1.00 23.14 H new ATOM 0 HD1 PHE A 77 4.027 4.600 5.463 1.00 30.14 H new ATOM 0 HD2 PHE A 77 6.385 8.091 6.128 1.00 23.15 H new ATOM 0 HE1 PHE A 77 4.014 4.152 7.878 1.00 24.01 H new ATOM 0 HE2 PHE A 77 6.376 7.637 8.541 1.00 62.24 H new ATOM 0 HZ PHE A 77 5.190 5.669 9.420 1.00 3.41 H new ATOM 1195 N LEU A 78 2.140 8.143 4.899 1.00 41.14 N ATOM 1196 CA LEU A 78 1.513 9.215 5.688 1.00 21.30 C ATOM 1197 C LEU A 78 1.928 9.136 7.166 1.00 22.50 C ATOM 1198 O LEU A 78 2.499 10.077 7.716 1.00 40.34 O ATOM 1199 CB LEU A 78 -0.018 9.130 5.579 1.00 23.33 C ATOM 1200 CG LEU A 78 -0.591 9.281 4.163 1.00 52.44 C ATOM 1201 CD1 LEU A 78 -2.107 9.088 4.175 1.00 4.24 C ATOM 1202 CD2 LEU A 78 -0.218 10.640 3.571 1.00 1.12 C ATOM 0 H LEU A 78 1.593 7.283 4.851 1.00 41.14 H new ATOM 0 HA LEU A 78 1.855 10.168 5.284 1.00 21.30 H new ATOM 0 HB2 LEU A 78 -0.340 8.170 5.982 1.00 23.33 H new ATOM 0 HB3 LEU A 78 -0.453 9.903 6.212 1.00 23.33 H new ATOM 0 HG LEU A 78 -0.155 8.508 3.531 1.00 52.44 H new ATOM 0 HD11 LEU A 78 -2.496 9.199 3.163 1.00 4.24 H new ATOM 0 HD12 LEU A 78 -2.344 8.092 4.548 1.00 4.24 H new ATOM 0 HD13 LEU A 78 -2.564 9.836 4.823 1.00 4.24 H new ATOM 0 HD21 LEU A 78 -0.634 10.726 2.567 1.00 1.12 H new ATOM 0 HD22 LEU A 78 -0.621 11.434 4.200 1.00 1.12 H new ATOM 0 HD23 LEU A 78 0.867 10.730 3.523 1.00 1.12 H new ATOM 1214 N GLY A 79 1.624 8.009 7.802 1.00 34.41 N ATOM 1215 CA GLY A 79 1.957 7.818 9.211 1.00 22.43 C ATOM 1216 C GLY A 79 1.032 6.819 9.901 1.00 75.24 C ATOM 1217 O GLY A 79 0.381 6.016 9.228 1.00 63.35 O ATOM 0 H GLY A 79 1.150 7.217 7.368 1.00 34.41 H new ATOM 0 HA2 GLY A 79 2.987 7.471 9.294 1.00 22.43 H new ATOM 0 HA3 GLY A 79 1.901 8.776 9.727 1.00 22.43 H new ATOM 1221 N PRO A 80 0.957 6.838 11.246 1.00 23.24 N ATOM 1222 CA PRO A 80 0.084 5.925 12.012 1.00 2.34 C ATOM 1223 C PRO A 80 -1.412 6.199 11.782 1.00 71.43 C ATOM 1224 O PRO A 80 -1.823 7.341 11.562 1.00 54.01 O ATOM 1225 CB PRO A 80 0.473 6.206 13.474 1.00 53.34 C ATOM 1226 CG PRO A 80 1.027 7.592 13.461 1.00 12.44 C ATOM 1227 CD PRO A 80 1.718 7.743 12.131 1.00 30.31 C ATOM 0 HA PRO A 80 0.221 4.886 11.713 1.00 2.34 H new ATOM 0 HB2 PRO A 80 -0.391 6.131 14.135 1.00 53.34 H new ATOM 0 HB3 PRO A 80 1.211 5.488 13.832 1.00 53.34 H new ATOM 0 HG2 PRO A 80 0.234 8.331 13.577 1.00 12.44 H new ATOM 0 HG3 PRO A 80 1.725 7.742 14.284 1.00 12.44 H new ATOM 0 HD2 PRO A 80 1.686 8.773 11.776 1.00 30.31 H new ATOM 0 HD3 PRO A 80 2.769 7.459 12.189 1.00 30.31 H new ATOM 1235 N LEU A 81 -2.228 5.146 11.828 1.00 34.20 N ATOM 1236 CA LEU A 81 -3.673 5.283 11.609 1.00 34.12 C ATOM 1237 C LEU A 81 -4.454 5.482 12.918 1.00 41.14 C ATOM 1238 O LEU A 81 -4.042 5.019 13.985 1.00 21.22 O ATOM 1239 CB LEU A 81 -4.216 4.070 10.828 1.00 24.33 C ATOM 1240 CG LEU A 81 -3.725 2.678 11.284 1.00 43.33 C ATOM 1241 CD1 LEU A 81 -4.277 2.289 12.655 1.00 24.24 C ATOM 1242 CD2 LEU A 81 -4.090 1.627 10.244 1.00 24.14 C ATOM 0 H LEU A 81 -1.918 4.192 12.014 1.00 34.20 H new ATOM 0 HA LEU A 81 -3.822 6.185 11.015 1.00 34.12 H new ATOM 0 HB2 LEU A 81 -5.304 4.084 10.890 1.00 24.33 H new ATOM 0 HB3 LEU A 81 -3.954 4.196 9.777 1.00 24.33 H new ATOM 0 HG LEU A 81 -2.640 2.729 11.380 1.00 43.33 H new ATOM 0 HD11 LEU A 81 -3.903 1.303 12.931 1.00 24.24 H new ATOM 0 HD12 LEU A 81 -3.956 3.020 13.397 1.00 24.24 H new ATOM 0 HD13 LEU A 81 -5.366 2.266 12.616 1.00 24.24 H new ATOM 0 HD21 LEU A 81 -3.739 0.650 10.576 1.00 24.14 H new ATOM 0 HD22 LEU A 81 -5.172 1.600 10.118 1.00 24.14 H new ATOM 0 HD23 LEU A 81 -3.620 1.878 9.293 1.00 24.14 H new