USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 507 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 17 GLN : amide:sc= 2.3 K(o=2.5,f=-2.3) USER MOD Set 1.2: A 28 GLN : amide:sc= 0.225 K(o=2.5,f=1.8) USER MOD Single : A 2 MET CE :methyl 162:sc= -0.0338 (180deg=-0.734) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc= -0.0174 (180deg=-0.274) USER MOD Single : A 29 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.16) USER MOD Single : A 33 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.28) USER MOD Single : A 36 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.77) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.904 K(o=-0.9,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.485 -0.848 5.999 1.00 0.00 N ATOM 38 CA MET A 2 -5.637 -0.602 4.839 1.00 0.00 C ATOM 39 C MET A 2 -4.166 -0.788 5.177 1.00 0.00 C ATOM 40 O MET A 2 -3.472 -1.513 4.469 1.00 0.00 O ATOM 41 CB MET A 2 -5.886 0.822 4.345 1.00 0.00 C ATOM 42 CG MET A 2 -7.004 0.784 3.315 1.00 0.00 C ATOM 43 SD MET A 2 -7.804 2.363 2.939 1.00 0.00 S ATOM 44 CE MET A 2 -6.683 2.963 1.654 1.00 0.00 C ATOM 0 HA MET A 2 -5.887 -1.322 4.059 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.159 1.470 5.178 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.978 1.235 3.905 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.601 0.376 2.388 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.767 0.089 3.664 1.00 0.00 H new ATOM 0 HE1 MET A 2 -7.173 3.752 1.083 1.00 0.00 H new ATOM 0 HE2 MET A 2 -5.778 3.358 2.116 1.00 0.00 H new ATOM 0 HE3 MET A 2 -6.421 2.142 0.987 1.00 0.00 H new ATOM 54 N GLY A 3 -3.681 -0.107 6.215 1.00 0.00 N ATOM 55 CA GLY A 3 -2.310 -0.237 6.682 1.00 0.00 C ATOM 56 C GLY A 3 -1.905 -1.697 6.855 1.00 0.00 C ATOM 57 O GLY A 3 -0.925 -2.134 6.253 1.00 0.00 O ATOM 0 H GLY A 3 -4.237 0.555 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.637 0.245 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.199 0.286 7.632 1.00 0.00 H new ATOM 61 N GLU A 4 -2.702 -2.463 7.599 1.00 0.00 N ATOM 62 CA GLU A 4 -2.472 -3.887 7.792 1.00 0.00 C ATOM 63 C GLU A 4 -2.551 -4.661 6.480 1.00 0.00 C ATOM 64 O GLU A 4 -1.707 -5.519 6.247 1.00 0.00 O ATOM 65 CB GLU A 4 -3.474 -4.455 8.808 1.00 0.00 C ATOM 66 CG GLU A 4 -3.058 -4.155 10.252 1.00 0.00 C ATOM 67 CD GLU A 4 -1.729 -4.842 10.568 1.00 0.00 C ATOM 68 OE1 GLU A 4 -1.725 -6.090 10.720 1.00 0.00 O ATOM 69 OE2 GLU A 4 -0.682 -4.158 10.564 1.00 0.00 O ATOM 0 H GLU A 4 -3.526 -2.109 8.084 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.461 -4.006 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.461 -4.032 8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.558 -5.533 8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.963 -3.079 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.829 -4.502 10.940 1.00 0.00 H new ATOM 76 N ARG A 5 -3.503 -4.349 5.596 1.00 0.00 N ATOM 77 CA ARG A 5 -3.612 -4.980 4.280 1.00 0.00 C ATOM 78 C ARG A 5 -2.300 -4.837 3.535 1.00 0.00 C ATOM 79 O ARG A 5 -1.756 -5.804 3.012 1.00 0.00 O ATOM 80 CB ARG A 5 -4.735 -4.316 3.460 1.00 0.00 C ATOM 81 CG ARG A 5 -5.961 -5.207 3.441 1.00 0.00 C ATOM 82 CD ARG A 5 -7.036 -4.732 2.470 1.00 0.00 C ATOM 83 NE ARG A 5 -7.715 -3.488 2.858 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.475 -3.245 3.926 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.617 -4.130 4.903 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.103 -2.083 4.008 1.00 0.00 N ATOM 0 H ARG A 5 -4.222 -3.648 5.775 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.845 -6.036 4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.987 -3.347 3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.393 -4.133 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.661 -6.220 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.383 -5.254 4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.582 -4.590 1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.783 -5.519 2.365 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.587 -2.701 2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.137 -5.028 4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.206 -3.912 5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.000 -1.394 3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.690 -1.876 4.816 1.00 0.00 H new ATOM 100 N ILE A 6 -1.809 -3.609 3.465 1.00 0.00 N ATOM 101 CA ILE A 6 -0.586 -3.241 2.788 1.00 0.00 C ATOM 102 C ILE A 6 0.578 -3.981 3.439 1.00 0.00 C ATOM 103 O ILE A 6 1.390 -4.563 2.721 1.00 0.00 O ATOM 104 CB ILE A 6 -0.495 -1.701 2.837 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.510 -1.126 1.822 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.919 -1.150 2.596 1.00 0.00 C ATOM 107 CD1 ILE A 6 -1.892 0.326 2.106 1.00 0.00 C ATOM 0 H ILE A 6 -2.275 -2.812 3.898 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.559 -3.533 1.738 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.740 -1.381 3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.089 -1.194 0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.411 -1.740 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.899 -0.061 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.595 -1.536 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.268 -1.461 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.607 0.667 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.342 0.397 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.000 0.951 2.068 1.00 0.00 H new ATOM 119 N ARG A 7 0.681 -3.970 4.771 1.00 0.00 N ATOM 120 CA ARG A 7 1.780 -4.626 5.471 1.00 0.00 C ATOM 121 C ARG A 7 1.759 -6.133 5.222 1.00 0.00 C ATOM 122 O ARG A 7 2.790 -6.698 4.856 1.00 0.00 O ATOM 123 CB ARG A 7 1.662 -4.313 6.974 1.00 0.00 C ATOM 124 CG ARG A 7 2.982 -4.460 7.738 1.00 0.00 C ATOM 125 CD ARG A 7 3.422 -5.894 8.049 1.00 0.00 C ATOM 126 NE ARG A 7 4.612 -5.882 8.911 1.00 0.00 N ATOM 127 CZ ARG A 7 5.878 -5.663 8.543 1.00 0.00 C ATOM 128 NH1 ARG A 7 6.196 -5.505 7.259 1.00 0.00 N ATOM 129 NH2 ARG A 7 6.829 -5.598 9.460 1.00 0.00 N ATOM 0 H ARG A 7 0.010 -3.510 5.386 1.00 0.00 H new ATOM 0 HA ARG A 7 2.731 -4.250 5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.293 -3.295 7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.920 -4.977 7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.769 -3.977 7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.897 -3.915 8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.612 -6.432 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.640 -6.425 7.122 1.00 0.00 H new ATOM 0 HE ARG A 7 4.454 -6.061 9.903 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.470 -5.551 6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.166 -5.338 6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.596 -5.715 10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.796 -5.431 9.181 1.00 0.00 H new ATOM 143 N ALA A 8 0.593 -6.762 5.334 1.00 0.00 N ATOM 144 CA ALA A 8 0.402 -8.189 5.157 1.00 0.00 C ATOM 145 C ALA A 8 0.743 -8.567 3.722 1.00 0.00 C ATOM 146 O ALA A 8 1.543 -9.468 3.504 1.00 0.00 O ATOM 147 CB ALA A 8 -1.037 -8.582 5.512 1.00 0.00 C ATOM 0 H ALA A 8 -0.272 -6.271 5.558 1.00 0.00 H new ATOM 0 HA ALA A 8 1.066 -8.735 5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.165 -9.656 5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.239 -8.323 6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.731 -8.047 4.863 1.00 0.00 H new ATOM 153 N ARG A 9 0.171 -7.883 2.728 1.00 0.00 N ATOM 154 CA ARG A 9 0.369 -8.217 1.318 1.00 0.00 C ATOM 155 C ARG A 9 1.824 -7.974 0.903 1.00 0.00 C ATOM 156 O ARG A 9 2.359 -8.728 0.095 1.00 0.00 O ATOM 157 CB ARG A 9 -0.634 -7.405 0.487 1.00 0.00 C ATOM 158 CG ARG A 9 -1.078 -7.979 -0.865 1.00 0.00 C ATOM 159 CD ARG A 9 0.046 -8.489 -1.758 1.00 0.00 C ATOM 160 NE ARG A 9 -0.445 -8.645 -3.125 1.00 0.00 N ATOM 161 CZ ARG A 9 -0.153 -9.645 -3.964 1.00 0.00 C ATOM 162 NH1 ARG A 9 0.775 -10.539 -3.645 1.00 0.00 N ATOM 163 NH2 ARG A 9 -0.797 -9.758 -5.117 1.00 0.00 N ATOM 0 H ARG A 9 -0.442 -7.082 2.879 1.00 0.00 H new ATOM 0 HA ARG A 9 0.183 -9.277 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.526 -7.253 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.200 -6.422 0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.774 -8.798 -0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.627 -7.208 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.883 -7.792 -1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.417 -9.443 -1.383 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.072 -7.920 -3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.270 -10.466 -2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.993 -11.299 -4.289 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.518 -9.081 -5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.572 -10.522 -5.754 1.00 0.00 H new ATOM 177 N ARG A 10 2.489 -6.950 1.446 1.00 0.00 N ATOM 178 CA ARG A 10 3.920 -6.729 1.251 1.00 0.00 C ATOM 179 C ARG A 10 4.698 -7.952 1.703 1.00 0.00 C ATOM 180 O ARG A 10 5.449 -8.532 0.927 1.00 0.00 O ATOM 181 CB ARG A 10 4.303 -5.482 2.046 1.00 0.00 C ATOM 182 CG ARG A 10 5.772 -5.047 1.970 1.00 0.00 C ATOM 183 CD ARG A 10 5.945 -3.523 1.918 1.00 0.00 C ATOM 184 NE ARG A 10 4.942 -2.808 2.702 1.00 0.00 N ATOM 185 CZ ARG A 10 4.873 -2.672 4.019 1.00 0.00 C ATOM 186 NH1 ARG A 10 5.750 -3.194 4.867 1.00 0.00 N ATOM 187 NH2 ARG A 10 3.871 -1.961 4.486 1.00 0.00 N ATOM 0 H ARG A 10 2.044 -6.248 2.037 1.00 0.00 H new ATOM 0 HA ARG A 10 4.159 -6.574 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.684 -4.654 1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.052 -5.654 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.306 -5.438 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.231 -5.489 1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.938 -3.263 2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.891 -3.192 0.881 1.00 0.00 H new ATOM 0 HE ARG A 10 4.200 -2.355 2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.537 -3.739 4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.637 -3.050 5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.196 -1.547 3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.768 -1.823 5.491 1.00 0.00 H new ATOM 201 N ILE A 11 4.496 -8.349 2.951 1.00 0.00 N ATOM 202 CA ILE A 11 5.120 -9.544 3.517 1.00 0.00 C ATOM 203 C ILE A 11 4.745 -10.803 2.720 1.00 0.00 C ATOM 204 O ILE A 11 5.600 -11.658 2.520 1.00 0.00 O ATOM 205 CB ILE A 11 4.804 -9.621 5.024 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.479 -8.456 5.790 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.207 -10.955 5.675 1.00 0.00 C ATOM 208 CD1 ILE A 11 7.015 -8.429 5.715 1.00 0.00 C ATOM 0 H ILE A 11 3.892 -7.851 3.605 1.00 0.00 H new ATOM 0 HA ILE A 11 6.204 -9.480 3.428 1.00 0.00 H new ATOM 0 HB ILE A 11 3.719 -9.543 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.095 -7.514 5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.183 -8.511 6.838 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.954 -10.934 6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.673 -11.772 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.281 -11.105 5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.392 -7.578 6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.416 -9.351 6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.327 -8.339 4.674 1.00 0.00 H new ATOM 220 N GLN A 12 3.537 -10.893 2.168 1.00 0.00 N ATOM 221 CA GLN A 12 3.073 -11.972 1.281 1.00 0.00 C ATOM 222 C GLN A 12 3.800 -12.047 -0.066 1.00 0.00 C ATOM 223 O GLN A 12 3.617 -12.991 -0.844 1.00 0.00 O ATOM 224 CB GLN A 12 1.584 -11.751 1.005 1.00 0.00 C ATOM 225 CG GLN A 12 0.776 -13.016 0.690 1.00 0.00 C ATOM 226 CD GLN A 12 -0.136 -12.795 -0.515 1.00 0.00 C ATOM 227 OE1 GLN A 12 0.001 -13.459 -1.541 1.00 0.00 O ATOM 228 NE2 GLN A 12 -1.025 -11.815 -0.471 1.00 0.00 N ATOM 0 H GLN A 12 2.819 -10.187 2.330 1.00 0.00 H new ATOM 0 HA GLN A 12 3.280 -12.909 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.140 -11.264 1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.486 -11.060 0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.455 -13.845 0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.178 -13.296 1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.137 -11.266 0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.598 -11.609 -1.289 1.00 0.00 H new ATOM 237 N LEU A 13 4.564 -11.011 -0.375 1.00 0.00 N ATOM 238 CA LEU A 13 5.482 -10.910 -1.503 1.00 0.00 C ATOM 239 C LEU A 13 6.942 -10.848 -1.015 1.00 0.00 C ATOM 240 O LEU A 13 7.871 -10.859 -1.821 1.00 0.00 O ATOM 241 CB LEU A 13 5.027 -9.720 -2.361 1.00 0.00 C ATOM 242 CG LEU A 13 5.780 -9.498 -3.685 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.855 -10.766 -4.543 1.00 0.00 C ATOM 244 CD2 LEU A 13 5.032 -8.409 -4.465 1.00 0.00 C ATOM 0 H LEU A 13 4.560 -10.162 0.191 1.00 0.00 H new ATOM 0 HA LEU A 13 5.456 -11.797 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.969 -9.849 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.117 -8.814 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 13 6.805 -9.209 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.397 -10.551 -5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.375 -11.549 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.847 -11.102 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.540 -8.226 -5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.011 -8.737 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.013 -7.490 -3.879 1.00 0.00 H new ATOM 256 N GLY A 14 7.157 -10.813 0.302 1.00 0.00 N ATOM 257 CA GLY A 14 8.444 -10.941 0.970 1.00 0.00 C ATOM 258 C GLY A 14 9.332 -9.711 0.827 1.00 0.00 C ATOM 259 O GLY A 14 10.524 -9.793 1.127 1.00 0.00 O ATOM 0 H GLY A 14 6.391 -10.687 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.276 -11.136 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.969 -11.807 0.566 1.00 0.00 H new ATOM 263 N LEU A 15 8.791 -8.575 0.383 1.00 0.00 N ATOM 264 CA LEU A 15 9.523 -7.360 0.069 1.00 0.00 C ATOM 265 C LEU A 15 9.417 -6.290 1.158 1.00 0.00 C ATOM 266 O LEU A 15 8.544 -6.346 2.028 1.00 0.00 O ATOM 267 CB LEU A 15 9.161 -6.974 -1.381 1.00 0.00 C ATOM 268 CG LEU A 15 8.154 -5.827 -1.536 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.233 -5.169 -2.914 1.00 0.00 C ATOM 270 CD2 LEU A 15 6.732 -6.372 -1.411 1.00 0.00 C ATOM 0 H LEU A 15 7.787 -8.479 0.228 1.00 0.00 H new ATOM 0 HA LEU A 15 10.602 -7.511 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.078 -6.700 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.759 -7.855 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 15 8.394 -5.100 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.501 -4.363 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.233 -4.763 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.021 -5.911 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.018 -5.555 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.557 -7.115 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.605 -6.835 -0.433 1.00 0.00 H new ATOM 282 N ASN A 16 10.313 -5.305 1.101 1.00 0.00 N ATOM 283 CA ASN A 16 10.434 -4.262 2.129 1.00 0.00 C ATOM 284 C ASN A 16 9.526 -3.075 1.797 1.00 0.00 C ATOM 285 O ASN A 16 9.034 -2.968 0.668 1.00 0.00 O ATOM 286 CB ASN A 16 11.880 -3.761 2.254 1.00 0.00 C ATOM 287 CG ASN A 16 12.875 -4.839 2.640 1.00 0.00 C ATOM 288 OD1 ASN A 16 13.193 -5.001 3.815 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.413 -5.573 1.685 1.00 0.00 N ATOM 0 H ASN A 16 10.981 -5.204 0.337 1.00 0.00 H new ATOM 0 HA ASN A 16 10.132 -4.707 3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.185 -3.323 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.915 -2.965 2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.103 -6.287 1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.139 -5.427 0.714 1.00 0.00 H new ATOM 296 N GLN A 17 9.342 -2.131 2.734 1.00 0.00 N ATOM 297 CA GLN A 17 8.648 -0.879 2.451 1.00 0.00 C ATOM 298 C GLN A 17 9.277 -0.154 1.274 1.00 0.00 C ATOM 299 O GLN A 17 8.559 0.227 0.358 1.00 0.00 O ATOM 300 CB GLN A 17 8.671 0.072 3.651 1.00 0.00 C ATOM 301 CG GLN A 17 7.916 -0.467 4.862 1.00 0.00 C ATOM 302 CD GLN A 17 7.815 0.572 5.970 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.413 1.641 5.914 1.00 0.00 O ATOM 304 NE2 GLN A 17 7.014 0.265 6.965 1.00 0.00 N ATOM 0 H GLN A 17 9.669 -2.219 3.696 1.00 0.00 H new ATOM 0 HA GLN A 17 7.618 -1.153 2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.706 0.265 3.933 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.237 1.028 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.915 -0.775 4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.422 -1.355 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.535 -0.635 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.872 0.927 7.728 1.00 0.00 H new ATOM 313 N ALA A 18 10.592 0.059 1.310 1.00 0.00 N ATOM 314 CA ALA A 18 11.289 0.878 0.339 1.00 0.00 C ATOM 315 C ALA A 18 11.205 0.267 -1.062 1.00 0.00 C ATOM 316 O ALA A 18 11.086 0.993 -2.045 1.00 0.00 O ATOM 317 CB ALA A 18 12.729 1.050 0.817 1.00 0.00 C ATOM 0 H ALA A 18 11.202 -0.339 2.024 1.00 0.00 H new ATOM 0 HA ALA A 18 10.820 1.859 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.278 1.664 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.733 1.536 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.205 0.073 0.897 1.00 0.00 H new ATOM 323 N GLU A 19 11.231 -1.059 -1.170 1.00 0.00 N ATOM 324 CA GLU A 19 11.064 -1.764 -2.433 1.00 0.00 C ATOM 325 C GLU A 19 9.647 -1.599 -2.978 1.00 0.00 C ATOM 326 O GLU A 19 9.474 -1.240 -4.145 1.00 0.00 O ATOM 327 CB GLU A 19 11.365 -3.245 -2.230 1.00 0.00 C ATOM 328 CG GLU A 19 12.759 -3.468 -1.654 1.00 0.00 C ATOM 329 CD GLU A 19 13.102 -4.945 -1.731 1.00 0.00 C ATOM 330 OE1 GLU A 19 12.495 -5.708 -0.945 1.00 0.00 O ATOM 331 OE2 GLU A 19 13.929 -5.333 -2.589 1.00 0.00 O ATOM 0 H GLU A 19 11.370 -1.679 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 19 11.757 -1.337 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.622 -3.678 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.278 -3.767 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.492 -2.883 -2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.796 -3.127 -0.619 1.00 0.00 H new ATOM 338 N LEU A 20 8.626 -1.828 -2.136 1.00 0.00 N ATOM 339 CA LEU A 20 7.235 -1.595 -2.523 1.00 0.00 C ATOM 340 C LEU A 20 7.089 -0.155 -2.981 1.00 0.00 C ATOM 341 O LEU A 20 6.520 0.082 -4.041 1.00 0.00 O ATOM 342 CB LEU A 20 6.261 -1.926 -1.377 1.00 0.00 C ATOM 343 CG LEU A 20 4.779 -1.605 -1.694 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.215 -2.507 -2.795 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.886 -1.774 -0.461 1.00 0.00 C ATOM 0 H LEU A 20 8.743 -2.174 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 20 6.976 -2.263 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.348 -2.985 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.560 -1.370 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 20 4.773 -0.567 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.174 -2.245 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.794 -2.371 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.276 -3.548 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.854 -1.540 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.945 -2.803 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.222 -1.099 0.327 1.00 0.00 H new ATOM 357 N ALA A 21 7.638 0.782 -2.211 1.00 0.00 N ATOM 358 CA ALA A 21 7.625 2.189 -2.526 1.00 0.00 C ATOM 359 C ALA A 21 8.155 2.405 -3.936 1.00 0.00 C ATOM 360 O ALA A 21 7.431 2.938 -4.773 1.00 0.00 O ATOM 361 CB ALA A 21 8.420 2.985 -1.493 1.00 0.00 C ATOM 0 H ALA A 21 8.112 0.568 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 21 6.599 2.555 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.396 4.044 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.979 2.843 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.453 2.638 -1.483 1.00 0.00 H new ATOM 367 N GLN A 22 9.364 1.914 -4.218 1.00 0.00 N ATOM 368 CA GLN A 22 10.040 2.112 -5.486 1.00 0.00 C ATOM 369 C GLN A 22 9.150 1.644 -6.627 1.00 0.00 C ATOM 370 O GLN A 22 8.947 2.380 -7.590 1.00 0.00 O ATOM 371 CB GLN A 22 11.378 1.346 -5.513 1.00 0.00 C ATOM 372 CG GLN A 22 12.391 2.026 -6.447 1.00 0.00 C ATOM 373 CD GLN A 22 13.145 3.155 -5.746 1.00 0.00 C ATOM 374 OE1 GLN A 22 12.697 3.709 -4.746 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.362 3.444 -6.171 1.00 0.00 N ATOM 0 H GLN A 22 9.904 1.359 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 22 10.247 3.175 -5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.789 1.292 -4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.206 0.321 -5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.103 1.285 -6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.871 2.423 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.735 2.984 -7.002 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.929 4.127 -5.668 1.00 0.00 H new ATOM 384 N LYS A 23 8.640 0.412 -6.545 1.00 0.00 N ATOM 385 CA LYS A 23 7.940 -0.195 -7.658 1.00 0.00 C ATOM 386 C LYS A 23 6.528 0.356 -7.830 1.00 0.00 C ATOM 387 O LYS A 23 6.001 0.294 -8.937 1.00 0.00 O ATOM 388 CB LYS A 23 8.128 -1.723 -7.615 1.00 0.00 C ATOM 389 CG LYS A 23 6.881 -2.604 -7.626 1.00 0.00 C ATOM 390 CD LYS A 23 6.233 -2.681 -6.241 1.00 0.00 C ATOM 391 CE LYS A 23 4.970 -3.541 -6.275 1.00 0.00 C ATOM 392 NZ LYS A 23 5.270 -4.929 -6.696 1.00 0.00 N ATOM 0 H LYS A 23 8.704 -0.177 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 23 8.385 0.099 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.744 -2.007 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.697 -1.963 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.162 -2.209 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.146 -3.607 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.942 -3.098 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.985 -1.678 -5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.508 -3.551 -5.288 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.246 -3.100 -6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.449 -5.536 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.478 -4.946 -7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.095 -5.281 -6.169 1.00 0.00 H new ATOM 406 N VAL A 24 5.908 0.918 -6.788 1.00 0.00 N ATOM 407 CA VAL A 24 4.682 1.693 -6.948 1.00 0.00 C ATOM 408 C VAL A 24 5.033 3.066 -7.555 1.00 0.00 C ATOM 409 O VAL A 24 4.248 3.603 -8.342 1.00 0.00 O ATOM 410 CB VAL A 24 3.956 1.826 -5.593 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.609 2.516 -5.786 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.623 0.492 -4.890 1.00 0.00 C ATOM 0 H VAL A 24 6.238 0.848 -5.825 1.00 0.00 H new ATOM 0 HA VAL A 24 3.999 1.183 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 24 4.661 2.384 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.105 2.605 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.766 3.509 -6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.993 1.927 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.115 0.694 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.975 -0.105 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.545 -0.056 -4.695 1.00 0.00 H new ATOM 422 N GLY A 25 6.201 3.619 -7.210 1.00 0.00 N ATOM 423 CA GLY A 25 6.733 4.900 -7.661 1.00 0.00 C ATOM 424 C GLY A 25 6.843 5.939 -6.540 1.00 0.00 C ATOM 425 O GLY A 25 7.125 7.104 -6.814 1.00 0.00 O ATOM 0 H GLY A 25 6.838 3.149 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.719 4.742 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.093 5.294 -8.450 1.00 0.00 H new ATOM 429 N VAL A 26 6.583 5.574 -5.287 1.00 0.00 N ATOM 430 CA VAL A 26 6.400 6.470 -4.156 1.00 0.00 C ATOM 431 C VAL A 26 7.647 6.481 -3.261 1.00 0.00 C ATOM 432 O VAL A 26 8.602 5.736 -3.504 1.00 0.00 O ATOM 433 CB VAL A 26 5.105 6.051 -3.431 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.918 6.051 -4.402 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.145 4.676 -2.762 1.00 0.00 C ATOM 0 H VAL A 26 6.490 4.593 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 26 6.284 7.504 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 26 4.996 6.795 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.014 5.753 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.784 7.052 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.111 5.349 -5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.187 4.477 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.339 3.911 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.937 4.658 -2.014 1.00 0.00 H new ATOM 445 N ASP A 27 7.654 7.321 -2.224 1.00 0.00 N ATOM 446 CA ASP A 27 8.710 7.388 -1.229 1.00 0.00 C ATOM 447 C ASP A 27 8.543 6.219 -0.263 1.00 0.00 C ATOM 448 O ASP A 27 7.431 5.744 -0.028 1.00 0.00 O ATOM 449 CB ASP A 27 8.649 8.697 -0.412 1.00 0.00 C ATOM 450 CG ASP A 27 7.351 9.500 -0.460 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.480 9.270 0.400 1.00 0.00 O ATOM 452 OD2 ASP A 27 7.220 10.397 -1.328 1.00 0.00 O ATOM 0 H ASP A 27 6.902 7.989 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 27 9.667 7.349 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.855 8.453 0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.457 9.344 -0.753 1.00 0.00 H new ATOM 457 N GLN A 28 9.643 5.794 0.367 1.00 0.00 N ATOM 458 CA GLN A 28 9.632 4.787 1.425 1.00 0.00 C ATOM 459 C GLN A 28 8.676 5.206 2.552 1.00 0.00 C ATOM 460 O GLN A 28 7.904 4.378 3.042 1.00 0.00 O ATOM 461 CB GLN A 28 11.076 4.567 1.895 1.00 0.00 C ATOM 462 CG GLN A 28 11.223 3.531 3.017 1.00 0.00 C ATOM 463 CD GLN A 28 11.159 4.149 4.404 1.00 0.00 C ATOM 464 OE1 GLN A 28 11.996 4.977 4.765 1.00 0.00 O ATOM 465 NE2 GLN A 28 10.219 3.769 5.239 1.00 0.00 N ATOM 0 H GLN A 28 10.576 6.146 0.152 1.00 0.00 H new ATOM 0 HA GLN A 28 9.252 3.834 1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.679 4.251 1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.483 5.518 2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.435 2.784 2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.173 3.009 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.523 3.084 4.946 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.185 4.159 6.181 1.00 0.00 H new ATOM 474 N GLN A 29 8.689 6.497 2.909 1.00 0.00 N ATOM 475 CA GLN A 29 7.774 7.084 3.879 1.00 0.00 C ATOM 476 C GLN A 29 6.320 6.776 3.511 1.00 0.00 C ATOM 477 O GLN A 29 5.537 6.468 4.403 1.00 0.00 O ATOM 478 CB GLN A 29 8.021 8.599 4.042 1.00 0.00 C ATOM 479 CG GLN A 29 7.819 9.119 5.474 1.00 0.00 C ATOM 480 CD GLN A 29 6.386 9.039 5.989 1.00 0.00 C ATOM 481 OE1 GLN A 29 6.093 8.278 6.906 1.00 0.00 O ATOM 482 NE2 GLN A 29 5.482 9.844 5.456 1.00 0.00 N ATOM 0 H GLN A 29 9.350 7.170 2.521 1.00 0.00 H new ATOM 0 HA GLN A 29 7.970 6.627 4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.039 8.826 3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.351 9.139 3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.463 8.552 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.148 10.157 5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.743 10.470 4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.524 9.839 5.807 1.00 0.00 H new ATOM 491 N ALA A 30 5.929 6.876 2.234 1.00 0.00 N ATOM 492 CA ALA A 30 4.547 6.651 1.836 1.00 0.00 C ATOM 493 C ALA A 30 4.021 5.300 2.302 1.00 0.00 C ATOM 494 O ALA A 30 2.841 5.204 2.629 1.00 0.00 O ATOM 495 CB ALA A 30 4.340 6.774 0.323 1.00 0.00 C ATOM 0 H ALA A 30 6.555 7.112 1.464 1.00 0.00 H new ATOM 0 HA ALA A 30 3.980 7.440 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.292 6.597 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.622 7.775 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.959 6.038 -0.190 1.00 0.00 H new ATOM 501 N ILE A 31 4.856 4.261 2.319 1.00 0.00 N ATOM 502 CA ILE A 31 4.433 2.949 2.776 1.00 0.00 C ATOM 503 C ILE A 31 4.338 2.920 4.313 1.00 0.00 C ATOM 504 O ILE A 31 3.375 2.364 4.840 1.00 0.00 O ATOM 505 CB ILE A 31 5.386 1.889 2.193 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.526 1.955 0.659 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.925 0.486 2.597 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.251 2.149 -0.178 1.00 0.00 C ATOM 0 H ILE A 31 5.830 4.309 2.020 1.00 0.00 H new ATOM 0 HA ILE A 31 3.431 2.717 2.416 1.00 0.00 H new ATOM 0 HB ILE A 31 6.369 2.109 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.208 2.771 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.005 1.033 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.606 -0.255 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.921 0.403 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.919 0.310 2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.511 2.175 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.565 1.322 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.772 3.087 0.101 1.00 0.00 H new ATOM 520 N GLU A 32 5.290 3.525 5.026 1.00 0.00 N ATOM 521 CA GLU A 32 5.314 3.608 6.492 1.00 0.00 C ATOM 522 C GLU A 32 4.086 4.346 7.011 1.00 0.00 C ATOM 523 O GLU A 32 3.422 3.914 7.958 1.00 0.00 O ATOM 524 CB GLU A 32 6.585 4.371 6.909 1.00 0.00 C ATOM 525 CG GLU A 32 6.793 4.453 8.425 1.00 0.00 C ATOM 526 CD GLU A 32 7.447 3.192 8.984 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.796 2.130 9.056 1.00 0.00 O ATOM 528 OE2 GLU A 32 8.625 3.293 9.405 1.00 0.00 O ATOM 0 H GLU A 32 6.089 3.984 4.589 1.00 0.00 H new ATOM 0 HA GLU A 32 5.311 2.603 6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.452 3.886 6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.539 5.382 6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.415 5.317 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.832 4.610 8.914 1.00 0.00 H new ATOM 535 N GLN A 33 3.773 5.480 6.392 1.00 0.00 N ATOM 536 CA GLN A 33 2.626 6.254 6.784 1.00 0.00 C ATOM 537 C GLN A 33 1.367 5.433 6.517 1.00 0.00 C ATOM 538 O GLN A 33 0.442 5.464 7.316 1.00 0.00 O ATOM 539 CB GLN A 33 2.669 7.628 6.094 1.00 0.00 C ATOM 540 CG GLN A 33 1.827 7.699 4.820 1.00 0.00 C ATOM 541 CD GLN A 33 1.997 9.016 4.073 1.00 0.00 C ATOM 542 OE1 GLN A 33 1.949 10.098 4.651 1.00 0.00 O ATOM 543 NE2 GLN A 33 2.167 8.957 2.766 1.00 0.00 N ATOM 0 H GLN A 33 4.306 5.874 5.617 1.00 0.00 H new ATOM 0 HA GLN A 33 2.625 6.472 7.852 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.320 8.388 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.703 7.871 5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.102 6.875 4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.776 7.565 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.205 8.052 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.260 9.816 2.225 1.00 0.00 H new ATOM 552 N LEU A 34 1.313 4.693 5.405 1.00 0.00 N ATOM 553 CA LEU A 34 0.124 3.971 5.016 1.00 0.00 C ATOM 554 C LEU A 34 -0.150 2.868 6.032 1.00 0.00 C ATOM 555 O LEU A 34 -1.307 2.660 6.385 1.00 0.00 O ATOM 556 CB LEU A 34 0.342 3.365 3.627 1.00 0.00 C ATOM 557 CG LEU A 34 -0.408 4.190 2.580 1.00 0.00 C ATOM 558 CD1 LEU A 34 0.084 3.822 1.180 1.00 0.00 C ATOM 559 CD2 LEU A 34 -1.925 4.000 2.636 1.00 0.00 C ATOM 0 H LEU A 34 2.095 4.586 4.760 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.732 4.646 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.406 3.343 3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.009 2.333 3.611 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.200 5.236 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.454 4.413 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.152 4.028 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.095 2.762 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.397 4.613 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.167 2.951 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.293 4.301 3.617 1.00 0.00 H new ATOM 571 N GLU A 35 0.909 2.201 6.511 1.00 0.00 N ATOM 572 CA GLU A 35 0.829 1.213 7.590 1.00 0.00 C ATOM 573 C GLU A 35 0.153 1.849 8.801 1.00 0.00 C ATOM 574 O GLU A 35 -0.827 1.317 9.325 1.00 0.00 O ATOM 575 CB GLU A 35 2.207 0.666 8.001 1.00 0.00 C ATOM 576 CG GLU A 35 2.757 -0.415 7.063 1.00 0.00 C ATOM 577 CD GLU A 35 3.943 -1.176 7.679 1.00 0.00 C ATOM 578 OE1 GLU A 35 3.933 -1.515 8.878 1.00 0.00 O ATOM 579 OE2 GLU A 35 4.872 -1.540 6.921 1.00 0.00 O ATOM 0 H GLU A 35 1.855 2.336 6.154 1.00 0.00 H new ATOM 0 HA GLU A 35 0.247 0.370 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.917 1.492 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.137 0.256 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.962 -1.121 6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.071 0.046 6.126 1.00 0.00 H new ATOM 586 N ASN A 36 0.639 3.021 9.218 1.00 0.00 N ATOM 587 CA ASN A 36 0.108 3.707 10.386 1.00 0.00 C ATOM 588 C ASN A 36 -1.157 4.524 10.082 1.00 0.00 C ATOM 589 O ASN A 36 -1.590 5.336 10.900 1.00 0.00 O ATOM 590 CB ASN A 36 1.244 4.431 11.117 1.00 0.00 C ATOM 591 CG ASN A 36 1.572 5.861 10.736 1.00 0.00 C ATOM 592 OD1 ASN A 36 0.898 6.812 11.100 1.00 0.00 O ATOM 593 ND2 ASN A 36 2.747 6.045 10.168 1.00 0.00 N ATOM 0 H ASN A 36 1.404 3.513 8.757 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.278 2.980 11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.009 4.420 12.181 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.150 3.839 10.984 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.103 6.990 10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.300 5.242 9.869 1.00 0.00 H new ATOM 600 N GLY A 37 -1.797 4.298 8.928 1.00 0.00 N ATOM 601 CA GLY A 37 -3.077 4.894 8.561 1.00 0.00 C ATOM 602 C GLY A 37 -2.966 6.368 8.174 1.00 0.00 C ATOM 603 O GLY A 37 -3.978 7.024 7.940 1.00 0.00 O ATOM 0 H GLY A 37 -1.425 3.678 8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.504 4.337 7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.769 4.796 9.397 1.00 0.00 H new ATOM 607 N LYS A 38 -1.749 6.906 8.074 1.00 0.00 N ATOM 608 CA LYS A 38 -1.499 8.321 7.852 1.00 0.00 C ATOM 609 C LYS A 38 -1.806 8.757 6.420 1.00 0.00 C ATOM 610 O LYS A 38 -1.775 9.968 6.185 1.00 0.00 O ATOM 611 CB LYS A 38 -0.037 8.647 8.209 1.00 0.00 C ATOM 612 CG LYS A 38 0.153 9.452 9.495 1.00 0.00 C ATOM 613 CD LYS A 38 -0.325 10.905 9.379 1.00 0.00 C ATOM 614 CE LYS A 38 0.251 11.695 10.555 1.00 0.00 C ATOM 615 NZ LYS A 38 -0.200 13.098 10.578 1.00 0.00 N ATOM 0 H LYS A 38 -0.895 6.353 8.147 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.175 8.879 8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.516 7.712 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.407 9.202 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.388 8.963 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.208 9.445 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.002 11.338 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.414 10.948 9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.037 11.210 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.340 11.669 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.221 13.585 11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.097 13.573 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.237 13.128 10.654 1.00 0.00 H new ATOM 629 N ALA A 39 -2.096 7.862 5.470 1.00 0.00 N ATOM 630 CA ALA A 39 -2.617 8.237 4.166 1.00 0.00 C ATOM 631 C ALA A 39 -3.938 7.502 3.933 1.00 0.00 C ATOM 632 O ALA A 39 -3.914 6.322 3.583 1.00 0.00 O ATOM 633 CB ALA A 39 -1.576 7.868 3.116 1.00 0.00 C ATOM 0 H ALA A 39 -1.973 6.857 5.591 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.811 9.308 4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.945 8.140 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.649 8.405 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.389 6.795 3.151 1.00 0.00 H new ATOM 639 N LYS A 40 -5.084 8.153 4.167 1.00 0.00 N ATOM 640 CA LYS A 40 -6.385 7.508 3.995 1.00 0.00 C ATOM 641 C LYS A 40 -6.655 7.202 2.528 1.00 0.00 C ATOM 642 O LYS A 40 -6.746 6.031 2.174 1.00 0.00 O ATOM 643 CB LYS A 40 -7.500 8.316 4.680 1.00 0.00 C ATOM 644 CG LYS A 40 -8.836 7.568 4.842 1.00 0.00 C ATOM 645 CD LYS A 40 -8.716 6.144 5.419 1.00 0.00 C ATOM 646 CE LYS A 40 -10.029 5.706 6.085 1.00 0.00 C ATOM 647 NZ LYS A 40 -10.057 6.054 7.523 1.00 0.00 N ATOM 0 H LYS A 40 -5.134 9.124 4.475 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.369 6.542 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.152 8.625 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.676 9.225 4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.487 8.154 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.324 7.510 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.458 5.446 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.906 6.110 6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.870 6.181 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.154 4.629 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.958 5.743 7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.270 5.580 8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.963 7.084 7.633 1.00 0.00 H new ATOM 661 N ARG A 41 -6.777 8.214 1.658 1.00 0.00 N ATOM 662 CA ARG A 41 -6.894 7.978 0.224 1.00 0.00 C ATOM 663 C ARG A 41 -5.647 8.610 -0.390 1.00 0.00 C ATOM 664 O ARG A 41 -5.675 9.807 -0.705 1.00 0.00 O ATOM 665 CB ARG A 41 -8.218 8.545 -0.316 1.00 0.00 C ATOM 666 CG ARG A 41 -8.250 8.610 -1.858 1.00 0.00 C ATOM 667 CD ARG A 41 -9.660 8.809 -2.427 1.00 0.00 C ATOM 668 NE ARG A 41 -10.107 10.210 -2.376 1.00 0.00 N ATOM 669 CZ ARG A 41 -9.836 11.162 -3.278 1.00 0.00 C ATOM 670 NH1 ARG A 41 -9.049 10.915 -4.320 1.00 0.00 N ATOM 671 NH2 ARG A 41 -10.348 12.376 -3.159 1.00 0.00 N ATOM 0 H ARG A 41 -6.797 9.198 1.927 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.935 6.920 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.044 7.927 0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.373 9.545 0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.611 9.427 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.829 7.690 -2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.681 8.464 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.362 8.189 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.679 10.482 -1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.641 9.988 -4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.853 11.652 -4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.958 12.597 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.132 13.091 -3.854 1.00 0.00 H new ATOM 685 N PRO A 42 -4.543 7.862 -0.541 1.00 0.00 N ATOM 686 CA PRO A 42 -3.363 8.408 -1.182 1.00 0.00 C ATOM 687 C PRO A 42 -3.708 8.712 -2.638 1.00 0.00 C ATOM 688 O PRO A 42 -4.519 8.018 -3.255 1.00 0.00 O ATOM 689 CB PRO A 42 -2.282 7.337 -1.055 1.00 0.00 C ATOM 690 CG PRO A 42 -3.058 6.033 -0.896 1.00 0.00 C ATOM 691 CD PRO A 42 -4.382 6.445 -0.250 1.00 0.00 C ATOM 0 HA PRO A 42 -3.012 9.336 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.641 7.313 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.637 7.523 -0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.221 5.549 -1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.516 5.324 -0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.212 5.866 -0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.364 6.266 0.825 1.00 0.00 H new ATOM 699 N ARG A 43 -3.068 9.722 -3.225 1.00 0.00 N ATOM 700 CA ARG A 43 -3.279 10.052 -4.634 1.00 0.00 C ATOM 701 C ARG A 43 -2.988 8.856 -5.537 1.00 0.00 C ATOM 702 O ARG A 43 -3.686 8.626 -6.525 1.00 0.00 O ATOM 703 CB ARG A 43 -2.430 11.274 -5.007 1.00 0.00 C ATOM 704 CG ARG A 43 -0.910 11.041 -4.977 1.00 0.00 C ATOM 705 CD ARG A 43 -0.170 12.327 -5.324 1.00 0.00 C ATOM 706 NE ARG A 43 1.199 12.023 -5.752 1.00 0.00 N ATOM 707 CZ ARG A 43 1.792 12.485 -6.855 1.00 0.00 C ATOM 708 NH1 ARG A 43 1.276 13.516 -7.519 1.00 0.00 N ATOM 709 NH2 ARG A 43 2.896 11.895 -7.283 1.00 0.00 N ATOM 0 H ARG A 43 -2.399 10.326 -2.747 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.329 10.303 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.713 11.603 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.672 12.088 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.608 10.695 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.642 10.257 -5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.698 12.856 -6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.150 12.989 -4.458 1.00 0.00 H new ATOM 0 HE ARG A 43 1.746 11.404 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.420 13.960 -7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.736 13.862 -8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.281 11.100 -6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.363 12.235 -8.124 1.00 0.00 H new ATOM 723 N PHE A 44 -1.973 8.082 -5.174 1.00 0.00 N ATOM 724 CA PHE A 44 -1.449 6.966 -5.930 1.00 0.00 C ATOM 725 C PHE A 44 -2.195 5.660 -5.596 1.00 0.00 C ATOM 726 O PHE A 44 -1.725 4.592 -5.956 1.00 0.00 O ATOM 727 CB PHE A 44 0.068 6.910 -5.671 1.00 0.00 C ATOM 728 CG PHE A 44 0.445 6.595 -4.237 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.514 5.252 -3.844 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.736 7.608 -3.301 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.791 4.911 -2.513 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.035 7.267 -1.967 1.00 0.00 C ATOM 733 CZ PHE A 44 1.034 5.915 -1.570 1.00 0.00 C ATOM 0 H PHE A 44 -1.471 8.229 -4.298 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.612 7.098 -7.000 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.509 6.157 -6.324 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.508 7.868 -5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.352 4.472 -4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.730 8.644 -3.606 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.817 3.873 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.265 8.041 -1.250 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.221 5.654 -0.539 1.00 0.00 H new ATOM 743 N LEU A 45 -3.349 5.684 -4.916 1.00 0.00 N ATOM 744 CA LEU A 45 -4.129 4.507 -4.533 1.00 0.00 C ATOM 745 C LEU A 45 -4.305 3.456 -5.644 1.00 0.00 C ATOM 746 O LEU A 45 -4.008 2.295 -5.367 1.00 0.00 O ATOM 747 CB LEU A 45 -5.452 5.023 -3.937 1.00 0.00 C ATOM 748 CG LEU A 45 -6.479 3.951 -3.565 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.993 3.040 -2.439 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.762 4.645 -3.101 1.00 0.00 C ATOM 0 H LEU A 45 -3.778 6.557 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.578 3.935 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.224 5.605 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.910 5.705 -4.654 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.646 3.334 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.759 2.298 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.078 2.535 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.794 3.636 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.505 3.894 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.545 5.268 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.151 5.268 -3.907 1.00 0.00 H new ATOM 762 N PRO A 46 -4.740 3.775 -6.878 1.00 0.00 N ATOM 763 CA PRO A 46 -4.839 2.766 -7.927 1.00 0.00 C ATOM 764 C PRO A 46 -3.476 2.300 -8.437 1.00 0.00 C ATOM 765 O PRO A 46 -3.374 1.176 -8.927 1.00 0.00 O ATOM 766 CB PRO A 46 -5.690 3.395 -9.030 1.00 0.00 C ATOM 767 CG PRO A 46 -5.445 4.886 -8.860 1.00 0.00 C ATOM 768 CD PRO A 46 -5.253 5.047 -7.354 1.00 0.00 C ATOM 0 HA PRO A 46 -5.299 1.855 -7.543 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.387 3.048 -10.018 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.745 3.146 -8.915 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.565 5.214 -9.414 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.288 5.475 -9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.556 5.856 -7.134 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.195 5.296 -6.865 1.00 0.00 H new ATOM 776 N GLU A 47 -2.422 3.107 -8.318 1.00 0.00 N ATOM 777 CA GLU A 47 -1.071 2.692 -8.643 1.00 0.00 C ATOM 778 C GLU A 47 -0.615 1.663 -7.622 1.00 0.00 C ATOM 779 O GLU A 47 -0.141 0.595 -7.989 1.00 0.00 O ATOM 780 CB GLU A 47 -0.120 3.891 -8.621 1.00 0.00 C ATOM 781 CG GLU A 47 -0.538 4.991 -9.597 1.00 0.00 C ATOM 782 CD GLU A 47 0.597 5.977 -9.847 1.00 0.00 C ATOM 783 OE1 GLU A 47 1.043 6.667 -8.904 1.00 0.00 O ATOM 784 OE2 GLU A 47 1.012 6.106 -11.022 1.00 0.00 O ATOM 0 H GLU A 47 -2.489 4.071 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.060 2.261 -9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.082 4.301 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.887 3.556 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.847 4.543 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.402 5.523 -9.199 1.00 0.00 H new ATOM 791 N LEU A 48 -0.799 1.960 -6.333 1.00 0.00 N ATOM 792 CA LEU A 48 -0.488 1.076 -5.229 1.00 0.00 C ATOM 793 C LEU A 48 -1.255 -0.211 -5.415 1.00 0.00 C ATOM 794 O LEU A 48 -0.661 -1.267 -5.290 1.00 0.00 O ATOM 795 CB LEU A 48 -0.840 1.738 -3.908 1.00 0.00 C ATOM 796 CG LEU A 48 -0.112 1.202 -2.653 1.00 0.00 C ATOM 797 CD1 LEU A 48 -0.962 1.498 -1.424 1.00 0.00 C ATOM 798 CD2 LEU A 48 0.255 -0.277 -2.580 1.00 0.00 C ATOM 0 H LEU A 48 -1.182 2.855 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 48 0.580 0.859 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.631 2.804 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.914 1.635 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 48 0.844 1.722 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.457 1.124 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.108 2.574 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.930 1.008 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.758 -0.481 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.650 -0.880 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.920 -0.528 -3.407 1.00 0.00 H new ATOM 810 N ALA A 49 -2.547 -0.142 -5.731 1.00 0.00 N ATOM 811 CA ALA A 49 -3.324 -1.357 -5.930 1.00 0.00 C ATOM 812 C ALA A 49 -2.779 -2.186 -7.089 1.00 0.00 C ATOM 813 O ALA A 49 -2.454 -3.360 -6.905 1.00 0.00 O ATOM 814 CB ALA A 49 -4.803 -1.013 -6.145 1.00 0.00 C ATOM 0 H ALA A 49 -3.067 0.727 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.237 -1.965 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.372 -1.931 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.185 -0.486 -5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.905 -0.378 -7.025 1.00 0.00 H new ATOM 820 N ARG A 50 -2.640 -1.590 -8.274 1.00 0.00 N ATOM 821 CA ARG A 50 -2.169 -2.295 -9.457 1.00 0.00 C ATOM 822 C ARG A 50 -0.773 -2.865 -9.222 1.00 0.00 C ATOM 823 O ARG A 50 -0.532 -4.023 -9.574 1.00 0.00 O ATOM 824 CB ARG A 50 -2.219 -1.332 -10.649 1.00 0.00 C ATOM 825 CG ARG A 50 -1.878 -2.013 -11.982 1.00 0.00 C ATOM 826 CD ARG A 50 -0.695 -1.343 -12.696 1.00 0.00 C ATOM 827 NE ARG A 50 -0.990 0.036 -13.115 1.00 0.00 N ATOM 828 CZ ARG A 50 -1.779 0.407 -14.130 1.00 0.00 C ATOM 829 NH1 ARG A 50 -2.370 -0.508 -14.896 1.00 0.00 N ATOM 830 NH2 ARG A 50 -1.975 1.696 -14.373 1.00 0.00 N ATOM 0 H ARG A 50 -2.852 -0.605 -8.436 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.813 -3.147 -9.675 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.215 -0.895 -10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.522 -0.512 -10.477 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.643 -3.062 -11.801 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.752 -1.990 -12.633 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.169 -1.339 -12.032 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.423 -1.933 -13.571 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.549 0.783 -12.579 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.223 -1.500 -14.711 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.970 -0.217 -15.668 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.525 2.400 -13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.576 1.984 -15.146 1.00 0.00 H new ATOM 844 N ALA A 51 0.138 -2.085 -8.635 1.00 0.00 N ATOM 845 CA ALA A 51 1.494 -2.488 -8.319 1.00 0.00 C ATOM 846 C ALA A 51 1.505 -3.537 -7.207 1.00 0.00 C ATOM 847 O ALA A 51 2.310 -4.461 -7.295 1.00 0.00 O ATOM 848 CB ALA A 51 2.351 -1.272 -7.937 1.00 0.00 C ATOM 0 H ALA A 51 -0.064 -1.124 -8.361 1.00 0.00 H new ATOM 0 HA ALA A 51 1.930 -2.939 -9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.364 -1.600 -7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.379 -0.570 -8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.919 -0.782 -7.065 1.00 0.00 H new ATOM 854 N LEU A 52 0.642 -3.459 -6.185 1.00 0.00 N ATOM 855 CA LEU A 52 0.516 -4.518 -5.184 1.00 0.00 C ATOM 856 C LEU A 52 -0.068 -5.783 -5.800 1.00 0.00 C ATOM 857 O LEU A 52 0.121 -6.860 -5.251 1.00 0.00 O ATOM 858 CB LEU A 52 -0.341 -4.040 -4.016 1.00 0.00 C ATOM 859 CG LEU A 52 -0.276 -4.904 -2.753 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.158 -5.096 -2.227 1.00 0.00 C ATOM 861 CD2 LEU A 52 -1.086 -4.168 -1.687 1.00 0.00 C ATOM 0 H LEU A 52 0.018 -2.666 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 52 1.511 -4.758 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.038 -3.026 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.378 -3.988 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.663 -5.896 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.137 -5.717 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.764 -5.582 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.590 -4.125 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.074 -4.742 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.648 -3.185 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.115 -4.051 -2.028 1.00 0.00 H new ATOM 873 N GLY A 53 -0.802 -5.654 -6.903 1.00 0.00 N ATOM 874 CA GLY A 53 -1.556 -6.733 -7.501 1.00 0.00 C ATOM 875 C GLY A 53 -2.737 -7.061 -6.605 1.00 0.00 C ATOM 876 O GLY A 53 -2.852 -8.197 -6.150 1.00 0.00 O ATOM 0 H GLY A 53 -0.885 -4.773 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.904 -6.446 -8.493 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.923 -7.611 -7.627 1.00 0.00 H new ATOM 880 N VAL A 54 -3.575 -6.067 -6.306 1.00 0.00 N ATOM 881 CA VAL A 54 -4.901 -6.243 -5.724 1.00 0.00 C ATOM 882 C VAL A 54 -5.831 -5.191 -6.355 1.00 0.00 C ATOM 883 O VAL A 54 -5.365 -4.278 -7.046 1.00 0.00 O ATOM 884 CB VAL A 54 -4.865 -6.158 -4.179 1.00 0.00 C ATOM 885 CG1 VAL A 54 -3.908 -7.160 -3.516 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.508 -4.748 -3.701 1.00 0.00 C ATOM 0 H VAL A 54 -3.340 -5.088 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.282 -7.240 -5.944 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.877 -6.418 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.942 -7.035 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.209 -8.176 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.892 -6.982 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.492 -4.726 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.525 -4.472 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.252 -4.040 -4.067 1.00 0.00 H new ATOM 896 N ALA A 55 -7.142 -5.275 -6.125 1.00 0.00 N ATOM 897 CA ALA A 55 -8.073 -4.241 -6.563 1.00 0.00 C ATOM 898 C ALA A 55 -7.959 -2.994 -5.676 1.00 0.00 C ATOM 899 O ALA A 55 -7.596 -3.084 -4.505 1.00 0.00 O ATOM 900 CB ALA A 55 -9.500 -4.787 -6.518 1.00 0.00 C ATOM 0 H ALA A 55 -7.582 -6.054 -5.635 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.824 -3.956 -7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.196 -4.014 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.580 -5.651 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.743 -5.086 -5.498 1.00 0.00 H new ATOM 906 N VAL A 56 -8.375 -1.834 -6.182 1.00 0.00 N ATOM 907 CA VAL A 56 -8.620 -0.640 -5.373 1.00 0.00 C ATOM 908 C VAL A 56 -9.701 -0.941 -4.336 1.00 0.00 C ATOM 909 O VAL A 56 -9.561 -0.488 -3.206 1.00 0.00 O ATOM 910 CB VAL A 56 -9.033 0.504 -6.323 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.624 1.722 -5.605 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.829 0.995 -7.134 1.00 0.00 C ATOM 0 H VAL A 56 -8.554 -1.695 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.724 -0.338 -4.830 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.803 0.073 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.890 2.483 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.515 1.422 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.888 2.128 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.142 1.801 -7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.058 1.361 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.429 0.172 -7.727 1.00 0.00 H new ATOM 922 N ASP A 57 -10.737 -1.722 -4.662 1.00 0.00 N ATOM 923 CA ASP A 57 -11.748 -2.070 -3.660 1.00 0.00 C ATOM 924 C ASP A 57 -11.174 -2.979 -2.588 1.00 0.00 C ATOM 925 O ASP A 57 -11.548 -2.871 -1.425 1.00 0.00 O ATOM 926 CB ASP A 57 -12.954 -2.776 -4.277 1.00 0.00 C ATOM 927 CG ASP A 57 -14.160 -2.679 -3.348 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.379 -3.548 -2.482 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.927 -1.700 -3.481 1.00 0.00 O ATOM 0 H ASP A 57 -10.895 -2.117 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.068 -1.125 -3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.193 -2.327 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.714 -3.823 -4.464 1.00 0.00 H new ATOM 934 N TRP A 58 -10.217 -3.831 -2.953 1.00 0.00 N ATOM 935 CA TRP A 58 -9.521 -4.640 -1.972 1.00 0.00 C ATOM 936 C TRP A 58 -8.704 -3.727 -1.078 1.00 0.00 C ATOM 937 O TRP A 58 -8.760 -3.855 0.137 1.00 0.00 O ATOM 938 CB TRP A 58 -8.615 -5.669 -2.631 1.00 0.00 C ATOM 939 CG TRP A 58 -8.029 -6.638 -1.660 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.607 -7.799 -1.318 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.804 -6.565 -0.874 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.840 -8.472 -0.397 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.681 -7.770 -0.121 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.787 -5.601 -0.720 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.563 -8.017 0.686 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.660 -5.842 0.090 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.549 -7.054 0.793 1.00 0.00 C ATOM 0 H TRP A 58 -9.912 -3.974 -3.916 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.259 -5.186 -1.385 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.183 -6.216 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.809 -5.154 -3.153 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.547 -8.156 -1.712 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.091 -9.366 0.025 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.874 -4.656 -1.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.482 -8.949 1.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.883 -5.097 0.171 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.686 -7.243 1.414 1.00 0.00 H new ATOM 958 N LEU A 59 -7.960 -2.787 -1.660 1.00 0.00 N ATOM 959 CA LEU A 59 -7.191 -1.824 -0.912 1.00 0.00 C ATOM 960 C LEU A 59 -8.090 -1.071 0.053 1.00 0.00 C ATOM 961 O LEU A 59 -7.888 -1.171 1.260 1.00 0.00 O ATOM 962 CB LEU A 59 -6.419 -0.919 -1.871 1.00 0.00 C ATOM 963 CG LEU A 59 -4.954 -1.335 -2.103 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.214 -0.114 -2.631 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.161 -1.823 -0.876 1.00 0.00 C ATOM 0 H LEU A 59 -7.881 -2.681 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.446 -2.329 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.935 -0.904 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.437 0.099 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.010 -2.187 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.169 -0.370 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.671 0.213 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.271 0.691 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.147 -2.084 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.125 -1.031 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.650 -2.700 -0.452 1.00 0.00 H new ATOM 977 N LEU A 60 -9.094 -0.368 -0.458 1.00 0.00 N ATOM 978 CA LEU A 60 -9.989 0.452 0.341 1.00 0.00 C ATOM 979 C LEU A 60 -10.709 -0.405 1.373 1.00 0.00 C ATOM 980 O LEU A 60 -10.611 -0.148 2.571 1.00 0.00 O ATOM 981 CB LEU A 60 -11.012 1.158 -0.566 1.00 0.00 C ATOM 982 CG LEU A 60 -10.455 2.391 -1.300 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.444 2.838 -2.381 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.208 3.568 -0.345 1.00 0.00 C ATOM 0 H LEU A 60 -9.310 -0.353 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.400 1.207 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.381 0.445 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.867 1.463 0.037 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.502 2.101 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.047 3.711 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.592 2.028 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.398 3.093 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.815 4.416 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.146 3.852 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.487 3.273 0.418 1.00 0.00 H new ATOM 996 N ASN A 61 -11.415 -1.433 0.909 1.00 0.00 N ATOM 997 CA ASN A 61 -12.491 -2.070 1.645 1.00 0.00 C ATOM 998 C ASN A 61 -12.190 -3.513 2.042 1.00 0.00 C ATOM 999 O ASN A 61 -12.711 -3.939 3.074 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.785 -1.990 0.824 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.079 -0.571 0.347 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -14.134 0.360 1.145 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.192 -0.357 -0.954 1.00 0.00 N ATOM 0 H ASN A 61 -11.248 -1.850 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.605 -1.526 2.582 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.708 -2.652 -0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.619 -2.349 1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.327 0.591 -1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.144 -1.140 -1.606 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.344 -4.256 1.320 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.741 -5.495 1.808 1.00 0.00 C ATOM 1012 C GLY A 62 -11.151 -6.784 1.119 1.00 0.00 C ATOM 1013 O GLY A 62 -10.672 -7.848 1.517 1.00 0.00 O ATOM 0 H GLY A 62 -11.058 -4.010 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.658 -5.398 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.975 -5.590 2.868 1.00 0.00 H new ATOM 1017 N ALA A 63 -12.028 -6.731 0.127 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.313 -7.841 -0.773 1.00 0.00 C ATOM 1019 C ALA A 63 -12.822 -7.275 -2.094 1.00 0.00 C ATOM 1020 O ALA A 63 -12.124 -6.465 -2.713 1.00 0.00 O ATOM 1021 CB ALA A 63 -13.291 -8.830 -0.139 1.00 0.00 C ATOM 0 H ALA A 63 -12.575 -5.895 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.403 -8.409 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.484 -9.647 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.861 -9.229 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.227 -8.320 0.091 1.00 0.00 H new