USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 514 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 23 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.2) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -123:sc= 0.926 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.49 K(o=1.4,f=-0.024!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 24 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0.539 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.65) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.82 K(o=0.82,f=-0.25) USER MOD Single : A 56 GLN : amide:sc= -0.0611 X(o=-0.061,f=-0.21) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 0.983 (180deg=0.923) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.19) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 139:sc= 0.836 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 11 0.469 -0.149 -0.005 1.00 0.00 N ATOM 2 CA GLY A 11 1.922 -0.040 -0.022 1.00 0.00 C ATOM 3 C GLY A 11 2.366 1.417 -0.009 1.00 0.00 C ATOM 4 O GLY A 11 3.448 1.742 0.479 1.00 0.00 O ATOM 0 HA2 GLY A 11 2.338 -0.557 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.316 -0.535 -0.910 1.00 0.00 H new ATOM 8 N ALA A 12 1.522 2.292 -0.546 1.00 0.00 N ATOM 9 CA ALA A 12 1.860 3.705 -0.669 1.00 0.00 C ATOM 10 C ALA A 12 2.012 4.357 0.699 1.00 0.00 C ATOM 11 O ALA A 12 2.935 5.141 0.924 1.00 0.00 O ATOM 12 CB ALA A 12 0.805 4.431 -1.492 1.00 0.00 C ATOM 0 H ALA A 12 0.598 2.047 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 12 2.819 3.779 -1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.070 5.485 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.753 3.990 -2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.165 4.339 -1.003 1.00 0.00 H new ATOM 18 N PRO A 13 1.103 4.028 1.609 1.00 0.00 N ATOM 19 CA PRO A 13 1.147 4.565 2.964 1.00 0.00 C ATOM 20 C PRO A 13 2.483 4.266 3.633 1.00 0.00 C ATOM 21 O PRO A 13 3.043 5.112 4.329 1.00 0.00 O ATOM 22 CB PRO A 13 -0.021 3.878 3.678 1.00 0.00 C ATOM 23 CG PRO A 13 -0.977 3.538 2.585 1.00 0.00 C ATOM 24 CD PRO A 13 -0.118 3.146 1.412 1.00 0.00 C ATOM 0 HA PRO A 13 1.057 5.651 2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.308 2.985 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.479 4.537 4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.637 2.722 2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.613 4.389 2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.137 2.086 1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.613 3.340 0.460 1.00 0.00 H new ATOM 32 N GLY A 14 2.990 3.057 3.416 1.00 0.00 N ATOM 33 CA GLY A 14 4.258 2.642 4.000 1.00 0.00 C ATOM 34 C GLY A 14 5.427 3.382 3.363 1.00 0.00 C ATOM 35 O GLY A 14 6.359 3.801 4.049 1.00 0.00 O ATOM 0 H GLY A 14 2.540 2.347 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.246 2.831 5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.388 1.568 3.867 1.00 0.00 H new ATOM 39 N ILE A 15 5.372 3.541 2.044 1.00 0.00 N ATOM 40 CA ILE A 15 6.408 4.262 1.315 1.00 0.00 C ATOM 41 C ILE A 15 6.461 5.725 1.737 1.00 0.00 C ATOM 42 O ILE A 15 7.539 6.280 1.952 1.00 0.00 O ATOM 43 CB ILE A 15 6.187 4.183 -0.207 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.402 2.751 -0.704 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.116 5.147 -0.929 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.919 2.517 -2.117 1.00 0.00 C ATOM 0 H ILE A 15 4.619 3.179 1.458 1.00 0.00 H new ATOM 0 HA ILE A 15 7.356 3.783 1.559 1.00 0.00 H new ATOM 0 HB ILE A 15 5.158 4.471 -0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.464 2.513 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.886 2.063 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.947 5.079 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.916 6.165 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.152 4.889 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.105 1.480 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.850 2.722 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.453 3.179 -2.798 1.00 0.00 H new ATOM 58 N ILE A 16 5.291 6.345 1.852 1.00 0.00 N ATOM 59 CA ILE A 16 5.205 7.762 2.183 1.00 0.00 C ATOM 60 C ILE A 16 5.626 8.017 3.626 1.00 0.00 C ATOM 61 O ILE A 16 6.393 8.939 3.904 1.00 0.00 O ATOM 62 CB ILE A 16 3.780 8.306 1.970 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.431 8.317 0.480 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.651 9.702 2.560 1.00 0.00 C ATOM 65 CD1 ILE A 16 1.967 8.563 0.198 1.00 0.00 C ATOM 0 H ILE A 16 4.389 5.888 1.721 1.00 0.00 H new ATOM 0 HA ILE A 16 5.887 8.284 1.512 1.00 0.00 H new ATOM 0 HB ILE A 16 3.077 7.650 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.021 9.087 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.720 7.362 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.638 10.072 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.861 9.666 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.362 10.370 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.798 8.556 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.370 7.779 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.676 9.531 0.605 1.00 0.00 H new ATOM 77 N LEU A 17 5.119 7.196 4.538 1.00 0.00 N ATOM 78 CA LEU A 17 5.465 7.313 5.950 1.00 0.00 C ATOM 79 C LEU A 17 6.966 7.164 6.163 1.00 0.00 C ATOM 80 O LEU A 17 7.599 8.008 6.798 1.00 0.00 O ATOM 81 CB LEU A 17 4.703 6.264 6.771 1.00 0.00 C ATOM 82 CG LEU A 17 4.988 6.283 8.278 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.587 7.628 8.869 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.230 5.150 8.953 1.00 0.00 C ATOM 0 H LEU A 17 4.466 6.441 4.325 1.00 0.00 H new ATOM 0 HA LEU A 17 5.175 8.308 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.634 6.412 6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.947 5.275 6.383 1.00 0.00 H new ATOM 0 HG LEU A 17 6.055 6.141 8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.793 7.631 9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.158 8.422 8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.523 7.795 8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.433 5.164 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.161 5.277 8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.553 4.197 8.535 1.00 0.00 H new ATOM 96 N ARG A 18 7.531 6.087 5.628 1.00 0.00 N ATOM 97 CA ARG A 18 8.972 5.873 5.679 1.00 0.00 C ATOM 98 C ARG A 18 9.726 7.047 5.067 1.00 0.00 C ATOM 99 O ARG A 18 10.707 7.529 5.631 1.00 0.00 O ATOM 100 CB ARG A 18 9.379 4.555 5.035 1.00 0.00 C ATOM 101 CG ARG A 18 10.876 4.288 5.017 1.00 0.00 C ATOM 102 CD ARG A 18 11.255 2.963 4.461 1.00 0.00 C ATOM 103 NE ARG A 18 12.688 2.742 4.354 1.00 0.00 N ATOM 104 CZ ARG A 18 13.255 1.612 3.889 1.00 0.00 C ATOM 105 NH1 ARG A 18 12.519 0.585 3.525 1.00 0.00 N ATOM 106 NH2 ARG A 18 14.575 1.553 3.832 1.00 0.00 N ATOM 0 H ARG A 18 7.012 5.348 5.154 1.00 0.00 H new ATOM 0 HA ARG A 18 9.249 5.810 6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.885 3.740 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.009 4.538 4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.365 5.067 4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.259 4.365 6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.826 2.183 5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.809 2.857 3.472 1.00 0.00 H new ATOM 0 HE ARG A 18 13.308 3.496 4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.503 0.637 3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.965 -0.263 3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.135 2.350 4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.033 0.711 3.484 1.00 0.00 H new ATOM 120 N TYR A 19 9.259 7.505 3.909 1.00 0.00 N ATOM 121 CA TYR A 19 9.874 8.640 3.232 1.00 0.00 C ATOM 122 C TYR A 19 9.939 9.857 4.144 1.00 0.00 C ATOM 123 O TYR A 19 10.990 10.481 4.290 1.00 0.00 O ATOM 124 CB TYR A 19 9.103 8.981 1.954 1.00 0.00 C ATOM 125 CG TYR A 19 9.528 10.283 1.311 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.699 10.362 0.571 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.757 11.428 1.444 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.092 11.549 -0.020 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.140 12.618 0.859 1.00 0.00 C ATOM 130 CZ TYR A 19 10.309 12.675 0.128 1.00 0.00 C ATOM 131 OH TYR A 19 10.694 13.859 -0.458 1.00 0.00 O ATOM 0 H TYR A 19 8.457 7.107 3.421 1.00 0.00 H new ATOM 0 HA TYR A 19 10.893 8.359 2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.234 8.172 1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.039 9.032 2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.314 9.482 0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.841 11.388 2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.006 11.594 -0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.528 13.500 0.973 1.00 0.00 H new ATOM 0 HH TYR A 19 10.766 14.555 0.228 1.00 0.00 H new ATOM 141 N LEU A 20 8.808 10.193 4.757 1.00 0.00 N ATOM 142 CA LEU A 20 8.705 11.399 5.568 1.00 0.00 C ATOM 143 C LEU A 20 9.576 11.300 6.815 1.00 0.00 C ATOM 144 O LEU A 20 10.129 12.297 7.278 1.00 0.00 O ATOM 145 CB LEU A 20 7.243 11.653 5.958 1.00 0.00 C ATOM 146 CG LEU A 20 6.323 12.068 4.803 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.876 12.106 5.276 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.754 13.429 4.274 1.00 0.00 C ATOM 0 H LEU A 20 7.949 9.645 4.707 1.00 0.00 H new ATOM 0 HA LEU A 20 9.064 12.239 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.842 10.747 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.217 12.432 6.720 1.00 0.00 H new ATOM 0 HG LEU A 20 6.399 11.338 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.231 12.402 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.583 11.118 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.778 12.826 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.100 13.724 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.689 14.167 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.782 13.371 3.916 1.00 0.00 H new ATOM 160 N GLN A 21 9.692 10.091 7.354 1.00 0.00 N ATOM 161 CA GLN A 21 10.506 9.856 8.541 1.00 0.00 C ATOM 162 C GLN A 21 11.990 9.982 8.225 1.00 0.00 C ATOM 163 O GLN A 21 12.750 10.577 8.990 1.00 0.00 O ATOM 164 CB GLN A 21 10.217 8.470 9.124 1.00 0.00 C ATOM 165 CG GLN A 21 8.880 8.361 9.837 1.00 0.00 C ATOM 166 CD GLN A 21 8.589 6.948 10.305 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.331 6.011 9.998 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.500 6.786 11.049 1.00 0.00 N ATOM 0 H GLN A 21 9.232 9.258 6.987 1.00 0.00 H new ATOM 0 HA GLN A 21 10.244 10.616 9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.248 7.736 8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.011 8.209 9.823 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.872 9.034 10.695 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.086 8.690 9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.915 7.589 11.279 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.249 5.858 11.390 1.00 0.00 H new ATOM 177 N GLU A 22 12.399 9.421 7.093 1.00 0.00 N ATOM 178 CA GLU A 22 13.804 9.418 6.702 1.00 0.00 C ATOM 179 C GLU A 22 14.270 10.817 6.317 1.00 0.00 C ATOM 180 O GLU A 22 15.418 11.188 6.562 1.00 0.00 O ATOM 181 CB GLU A 22 14.035 8.450 5.539 1.00 0.00 C ATOM 182 CG GLU A 22 13.988 6.979 5.928 1.00 0.00 C ATOM 183 CD GLU A 22 14.219 6.092 4.737 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.255 6.598 3.641 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.473 4.926 4.930 1.00 0.00 O ATOM 0 H GLU A 22 11.776 8.961 6.429 1.00 0.00 H new ATOM 0 HA GLU A 22 14.388 9.086 7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.282 8.635 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.005 8.664 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.744 6.777 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.020 6.749 6.373 1.00 0.00 H new ATOM 192 N GLN A 23 13.373 11.589 5.714 1.00 0.00 N ATOM 193 CA GLN A 23 13.688 12.953 5.304 1.00 0.00 C ATOM 194 C GLN A 23 13.573 13.920 6.474 1.00 0.00 C ATOM 195 O GLN A 23 14.359 14.861 6.594 1.00 0.00 O ATOM 196 CB GLN A 23 12.760 13.399 4.170 1.00 0.00 C ATOM 197 CG GLN A 23 12.935 12.619 2.879 1.00 0.00 C ATOM 198 CD GLN A 23 14.353 12.694 2.344 1.00 0.00 C ATOM 199 OE1 GLN A 23 14.935 13.777 2.241 1.00 0.00 O ATOM 200 NE2 GLN A 23 14.914 11.542 1.997 1.00 0.00 N ATOM 0 H GLN A 23 12.421 11.293 5.498 1.00 0.00 H new ATOM 0 HA GLN A 23 14.718 12.963 4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.726 13.303 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.933 14.456 3.969 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.669 11.576 3.049 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.246 13.005 2.128 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.394 10.670 2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.865 11.529 1.628 1.00 0.00 H new ATOM 209 N ASN A 24 12.589 13.686 7.336 1.00 0.00 N ATOM 210 CA ASN A 24 12.366 14.540 8.496 1.00 0.00 C ATOM 211 C ASN A 24 12.076 15.974 8.076 1.00 0.00 C ATOM 212 O ASN A 24 12.490 16.922 8.743 1.00 0.00 O ATOM 213 CB ASN A 24 13.547 14.500 9.449 1.00 0.00 C ATOM 214 CG ASN A 24 13.212 14.947 10.846 1.00 0.00 C ATOM 215 OD1 ASN A 24 12.075 14.806 11.309 1.00 0.00 O ATOM 216 ND2 ASN A 24 14.175 15.560 11.487 1.00 0.00 N ATOM 0 H ASN A 24 11.932 12.910 7.252 1.00 0.00 H new ATOM 0 HA ASN A 24 11.493 14.151 9.020 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.938 13.483 9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.342 15.133 9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.004 15.948 12.414 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.097 15.649 11.059 1.00 0.00 H new ATOM 223 N ARG A 25 11.363 16.128 6.965 1.00 0.00 N ATOM 224 CA ARG A 25 11.044 17.448 6.436 1.00 0.00 C ATOM 225 C ARG A 25 9.605 17.509 5.938 1.00 0.00 C ATOM 226 O ARG A 25 9.038 16.497 5.529 1.00 0.00 O ATOM 227 CB ARG A 25 12.025 17.888 5.360 1.00 0.00 C ATOM 228 CG ARG A 25 13.457 18.074 5.837 1.00 0.00 C ATOM 229 CD ARG A 25 13.658 19.243 6.730 1.00 0.00 C ATOM 230 NE ARG A 25 15.047 19.515 7.064 1.00 0.00 N ATOM 231 CZ ARG A 25 15.720 18.929 8.073 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.128 18.069 8.872 1.00 0.00 N ATOM 233 NH2 ARG A 25 16.986 19.261 8.254 1.00 0.00 N ATOM 0 H ARG A 25 10.995 15.353 6.413 1.00 0.00 H new ATOM 0 HA ARG A 25 11.143 18.155 7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.017 17.150 4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.675 18.827 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.772 17.172 6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.106 18.180 4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.233 20.126 6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.101 19.080 7.653 1.00 0.00 H new ATOM 0 HE ARG A 25 15.547 20.198 6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.145 17.837 8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.652 17.634 9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.427 19.944 7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.522 18.834 9.010 1.00 0.00 H new ATOM 247 N PRO A 26 9.022 18.702 5.975 1.00 0.00 N ATOM 248 CA PRO A 26 7.667 18.908 5.476 1.00 0.00 C ATOM 249 C PRO A 26 7.627 18.857 3.955 1.00 0.00 C ATOM 250 O PRO A 26 8.452 19.475 3.281 1.00 0.00 O ATOM 251 CB PRO A 26 7.275 20.287 6.017 1.00 0.00 C ATOM 252 CG PRO A 26 8.568 21.018 6.144 1.00 0.00 C ATOM 253 CD PRO A 26 9.580 19.973 6.537 1.00 0.00 C ATOM 0 HA PRO A 26 6.975 18.132 5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.593 20.801 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.768 20.207 6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.843 21.497 5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.503 21.804 6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.564 20.194 6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.695 19.915 7.619 1.00 0.00 H new ATOM 261 N TYR A 27 6.664 18.116 3.418 1.00 0.00 N ATOM 262 CA TYR A 27 6.456 18.057 1.976 1.00 0.00 C ATOM 263 C TYR A 27 4.980 18.199 1.626 1.00 0.00 C ATOM 264 O TYR A 27 4.117 17.623 2.287 1.00 0.00 O ATOM 265 CB TYR A 27 7.005 16.746 1.409 1.00 0.00 C ATOM 266 CG TYR A 27 8.505 16.599 1.545 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.361 17.148 0.603 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.059 15.911 2.614 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.731 17.019 0.722 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.427 15.775 2.745 1.00 0.00 C ATOM 271 CZ TYR A 27 11.261 16.331 1.795 1.00 0.00 C ATOM 272 OH TYR A 27 12.625 16.197 1.918 1.00 0.00 O ATOM 0 H TYR A 27 6.014 17.547 3.961 1.00 0.00 H new ATOM 0 HA TYR A 27 6.995 18.891 1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.521 15.911 1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.737 16.677 0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.950 17.686 -0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.409 15.474 3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.384 17.454 -0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.842 15.237 3.585 1.00 0.00 H new ATOM 0 HH TYR A 27 13.068 16.972 1.514 1.00 0.00 H new ATOM 282 N SER A 28 4.697 18.972 0.583 1.00 0.00 N ATOM 283 CA SER A 28 3.328 19.154 0.114 1.00 0.00 C ATOM 284 C SER A 28 2.796 17.885 -0.538 1.00 0.00 C ATOM 285 O SER A 28 3.555 16.962 -0.835 1.00 0.00 O ATOM 286 CB SER A 28 3.260 20.316 -0.859 1.00 0.00 C ATOM 287 OG SER A 28 3.817 19.994 -2.103 1.00 0.00 O ATOM 0 H SER A 28 5.398 19.483 0.046 1.00 0.00 H new ATOM 0 HA SER A 28 2.700 19.376 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.221 20.615 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.786 21.173 -0.437 1.00 0.00 H new ATOM 0 HG SER A 28 3.752 20.768 -2.701 1.00 0.00 H new ATOM 293 N ALA A 29 1.486 17.843 -0.760 1.00 0.00 N ATOM 294 CA ALA A 29 0.867 16.744 -1.491 1.00 0.00 C ATOM 295 C ALA A 29 1.514 16.558 -2.857 1.00 0.00 C ATOM 296 O ALA A 29 1.635 15.437 -3.350 1.00 0.00 O ATOM 297 CB ALA A 29 -0.629 16.981 -1.636 1.00 0.00 C ATOM 0 H ALA A 29 0.832 18.559 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 29 1.022 15.828 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.077 16.152 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.084 17.051 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.799 17.910 -2.180 1.00 0.00 H new ATOM 303 N GLN A 30 1.927 17.665 -3.465 1.00 0.00 N ATOM 304 CA GLN A 30 2.584 17.624 -4.767 1.00 0.00 C ATOM 305 C GLN A 30 4.039 17.191 -4.636 1.00 0.00 C ATOM 306 O GLN A 30 4.563 16.474 -5.489 1.00 0.00 O ATOM 307 CB GLN A 30 2.512 18.993 -5.448 1.00 0.00 C ATOM 308 CG GLN A 30 1.114 19.398 -5.884 1.00 0.00 C ATOM 309 CD GLN A 30 1.082 20.777 -6.516 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.094 21.483 -6.550 1.00 0.00 O ATOM 311 NE2 GLN A 30 -0.083 21.169 -7.019 1.00 0.00 N ATOM 0 H GLN A 30 1.818 18.602 -3.077 1.00 0.00 H new ATOM 0 HA GLN A 30 2.059 16.891 -5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.900 19.748 -4.764 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.165 18.987 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.732 18.666 -6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.448 19.381 -5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.894 20.552 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.167 22.087 -7.456 1.00 0.00 H new ATOM 320 N ASP A 31 4.687 17.631 -3.563 1.00 0.00 N ATOM 321 CA ASP A 31 6.065 17.241 -3.287 1.00 0.00 C ATOM 322 C ASP A 31 6.188 15.731 -3.124 1.00 0.00 C ATOM 323 O ASP A 31 7.046 15.098 -3.741 1.00 0.00 O ATOM 324 CB ASP A 31 6.582 17.948 -2.032 1.00 0.00 C ATOM 325 CG ASP A 31 6.795 19.447 -2.198 1.00 0.00 C ATOM 326 OD1 ASP A 31 6.864 19.897 -3.317 1.00 0.00 O ATOM 327 OD2 ASP A 31 6.729 20.148 -1.216 1.00 0.00 O ATOM 0 H ASP A 31 4.280 18.258 -2.870 1.00 0.00 H new ATOM 0 HA ASP A 31 6.673 17.543 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.876 17.781 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.525 17.490 -1.734 1.00 0.00 H new ATOM 332 N VAL A 32 5.326 15.159 -2.291 1.00 0.00 N ATOM 333 CA VAL A 32 5.387 13.735 -1.983 1.00 0.00 C ATOM 334 C VAL A 32 5.122 12.892 -3.224 1.00 0.00 C ATOM 335 O VAL A 32 5.835 11.924 -3.493 1.00 0.00 O ATOM 336 CB VAL A 32 4.376 13.349 -0.887 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.322 11.838 -0.721 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.740 14.017 0.430 1.00 0.00 C ATOM 0 H VAL A 32 4.575 15.661 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 32 6.395 13.536 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 32 3.388 13.697 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.603 11.583 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.017 11.379 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.308 11.467 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.016 13.734 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.736 13.697 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.730 15.100 0.304 1.00 0.00 H new ATOM 348 N PHE A 33 4.093 13.264 -3.978 1.00 0.00 N ATOM 349 CA PHE A 33 3.765 12.576 -5.220 1.00 0.00 C ATOM 350 C PHE A 33 4.921 12.645 -6.210 1.00 0.00 C ATOM 351 O PHE A 33 5.414 11.617 -6.677 1.00 0.00 O ATOM 352 CB PHE A 33 2.502 13.172 -5.844 1.00 0.00 C ATOM 353 CG PHE A 33 2.273 12.753 -7.269 1.00 0.00 C ATOM 354 CD1 PHE A 33 2.048 11.421 -7.586 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.283 13.687 -8.293 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.837 11.035 -8.897 1.00 0.00 C ATOM 357 CE2 PHE A 33 2.072 13.303 -9.602 1.00 0.00 C ATOM 358 CZ PHE A 33 1.849 11.975 -9.904 1.00 0.00 C ATOM 0 H PHE A 33 3.471 14.040 -3.750 1.00 0.00 H new ATOM 0 HA PHE A 33 3.582 11.528 -4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.639 12.879 -5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.565 14.259 -5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.038 10.679 -6.802 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.458 14.728 -8.064 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.663 9.995 -9.132 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.081 14.042 -10.390 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.684 11.673 -10.928 1.00 0.00 H new ATOM 368 N GLY A 34 5.350 13.862 -6.527 1.00 0.00 N ATOM 369 CA GLY A 34 6.378 14.072 -7.539 1.00 0.00 C ATOM 370 C GLY A 34 7.650 13.304 -7.200 1.00 0.00 C ATOM 371 O GLY A 34 8.299 12.741 -8.083 1.00 0.00 O ATOM 0 H GLY A 34 5.001 14.719 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.005 13.752 -8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.602 15.136 -7.618 1.00 0.00 H new ATOM 375 N ASN A 35 7.999 13.284 -5.919 1.00 0.00 N ATOM 376 CA ASN A 35 9.238 12.657 -5.473 1.00 0.00 C ATOM 377 C ASN A 35 9.123 11.138 -5.487 1.00 0.00 C ATOM 378 O ASN A 35 10.107 10.434 -5.710 1.00 0.00 O ATOM 379 CB ASN A 35 9.638 13.139 -4.091 1.00 0.00 C ATOM 380 CG ASN A 35 10.130 14.560 -4.065 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.536 15.116 -5.091 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.173 15.121 -2.883 1.00 0.00 N ATOM 0 H ASN A 35 7.441 13.695 -5.170 1.00 0.00 H new ATOM 0 HA ASN A 35 10.018 12.951 -6.175 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.782 13.048 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.419 12.486 -3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.555 16.061 -2.778 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.824 14.618 -2.067 1.00 0.00 H new ATOM 389 N LEU A 36 7.914 10.639 -5.250 1.00 0.00 N ATOM 390 CA LEU A 36 7.673 9.202 -5.218 1.00 0.00 C ATOM 391 C LEU A 36 7.083 8.712 -6.534 1.00 0.00 C ATOM 392 O LEU A 36 6.756 7.534 -6.679 1.00 0.00 O ATOM 393 CB LEU A 36 6.740 8.849 -4.052 1.00 0.00 C ATOM 394 CG LEU A 36 7.256 9.242 -2.661 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.219 8.894 -1.602 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.570 8.527 -2.385 1.00 0.00 C ATOM 0 H LEU A 36 7.086 11.209 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 36 8.630 8.701 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.779 9.336 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.559 7.774 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 36 7.429 10.318 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.594 9.177 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.295 9.434 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.025 7.822 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.936 8.807 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.412 7.449 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.305 8.812 -3.138 1.00 0.00 H new ATOM 408 N GLN A 37 6.951 9.623 -7.493 1.00 0.00 N ATOM 409 CA GLN A 37 6.503 9.265 -8.833 1.00 0.00 C ATOM 410 C GLN A 37 7.622 8.606 -9.630 1.00 0.00 C ATOM 411 O GLN A 37 7.378 7.714 -10.442 1.00 0.00 O ATOM 412 CB GLN A 37 5.999 10.504 -9.579 1.00 0.00 C ATOM 413 CG GLN A 37 5.451 10.215 -10.965 1.00 0.00 C ATOM 414 CD GLN A 37 4.969 11.469 -11.670 1.00 0.00 C ATOM 415 OE1 GLN A 37 5.141 12.584 -11.169 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.356 11.294 -12.835 1.00 0.00 N ATOM 0 H GLN A 37 7.148 10.616 -7.366 1.00 0.00 H new ATOM 0 HA GLN A 37 5.686 8.551 -8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.220 10.980 -8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.816 11.220 -9.666 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.225 9.738 -11.566 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.627 9.506 -10.886 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.236 10.354 -13.212 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.006 12.100 -13.353 1.00 0.00 H new ATOM 425 N LYS A 38 8.851 9.051 -9.393 1.00 0.00 N ATOM 426 CA LYS A 38 10.003 8.552 -10.135 1.00 0.00 C ATOM 427 C LYS A 38 10.756 7.494 -9.338 1.00 0.00 C ATOM 428 O LYS A 38 11.373 6.596 -9.910 1.00 0.00 O ATOM 429 CB LYS A 38 10.943 9.702 -10.500 1.00 0.00 C ATOM 430 CG LYS A 38 10.349 10.717 -11.469 1.00 0.00 C ATOM 431 CD LYS A 38 11.348 11.815 -11.801 1.00 0.00 C ATOM 432 CE LYS A 38 10.734 12.862 -12.720 1.00 0.00 C ATOM 433 NZ LYS A 38 11.667 13.992 -12.976 1.00 0.00 N ATOM 0 H LYS A 38 9.075 9.757 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 38 9.635 8.090 -11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.237 10.219 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.851 9.288 -10.938 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.043 10.212 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.453 11.158 -11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.688 12.290 -10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.226 11.379 -12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.459 12.397 -13.667 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.816 13.244 -12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.211 14.683 -13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.910 14.452 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.533 13.632 -13.426 1.00 0.00 H new ATOM 447 N GLU A 39 10.700 7.606 -8.016 1.00 0.00 N ATOM 448 CA GLU A 39 11.481 6.739 -7.141 1.00 0.00 C ATOM 449 C GLU A 39 10.774 5.410 -6.908 1.00 0.00 C ATOM 450 O GLU A 39 11.419 4.382 -6.696 1.00 0.00 O ATOM 451 CB GLU A 39 11.751 7.432 -5.803 1.00 0.00 C ATOM 452 CG GLU A 39 12.697 8.622 -5.890 1.00 0.00 C ATOM 453 CD GLU A 39 12.897 9.261 -4.545 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.319 8.792 -3.593 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.713 10.147 -4.445 1.00 0.00 O ATOM 0 H GLU A 39 10.122 8.289 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 39 12.432 6.537 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.802 7.767 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.167 6.703 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.659 8.296 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.297 9.357 -6.588 1.00 0.00 H new ATOM 462 N HIS A 40 9.447 5.437 -6.950 1.00 0.00 N ATOM 463 CA HIS A 40 8.648 4.253 -6.656 1.00 0.00 C ATOM 464 C HIS A 40 7.583 4.030 -7.723 1.00 0.00 C ATOM 465 O HIS A 40 7.333 2.897 -8.135 1.00 0.00 O ATOM 466 CB HIS A 40 7.990 4.373 -5.277 1.00 0.00 C ATOM 467 CG HIS A 40 8.966 4.354 -4.142 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.596 5.492 -3.684 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.421 3.337 -3.373 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.396 5.175 -2.681 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.308 3.874 -2.473 1.00 0.00 N ATOM 0 H HIS A 40 8.901 6.266 -7.185 1.00 0.00 H new ATOM 0 HA HIS A 40 9.318 3.394 -6.654 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.417 5.299 -5.237 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.282 3.554 -5.149 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.139 2.298 -3.453 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.016 5.863 -2.126 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.817 3.352 -1.759 1.00 0.00 H new ATOM 479 N GLY A 41 6.959 5.116 -8.166 1.00 0.00 N ATOM 480 CA GLY A 41 5.977 5.049 -9.240 1.00 0.00 C ATOM 481 C GLY A 41 4.556 5.086 -8.691 1.00 0.00 C ATOM 482 O GLY A 41 3.642 4.499 -9.269 1.00 0.00 O ATOM 0 H GLY A 41 7.117 6.054 -7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.127 5.883 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.124 4.134 -9.814 1.00 0.00 H new ATOM 486 N LEU A 42 4.377 5.779 -7.572 1.00 0.00 N ATOM 487 CA LEU A 42 3.069 5.887 -6.939 1.00 0.00 C ATOM 488 C LEU A 42 2.164 6.847 -7.702 1.00 0.00 C ATOM 489 O LEU A 42 2.607 7.898 -8.163 1.00 0.00 O ATOM 490 CB LEU A 42 3.222 6.343 -5.482 1.00 0.00 C ATOM 491 CG LEU A 42 3.971 5.366 -4.567 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.100 5.953 -3.169 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.231 4.036 -4.527 1.00 0.00 C ATOM 0 H LEU A 42 5.123 6.275 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 42 2.603 4.902 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.744 7.300 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.229 6.517 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 42 4.974 5.198 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.633 5.251 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.652 6.892 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.107 6.137 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.764 3.342 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.223 4.192 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.176 3.620 -5.533 1.00 0.00 H new ATOM 505 N GLY A 43 0.895 6.478 -7.832 1.00 0.00 N ATOM 506 CA GLY A 43 -0.074 7.304 -8.542 1.00 0.00 C ATOM 507 C GLY A 43 -0.509 8.494 -7.696 1.00 0.00 C ATOM 508 O GLY A 43 -0.383 8.476 -6.471 1.00 0.00 O ATOM 0 H GLY A 43 0.513 5.611 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.362 7.659 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.945 6.703 -8.804 1.00 0.00 H new ATOM 512 N LYS A 44 -1.020 9.528 -8.356 1.00 0.00 N ATOM 513 CA LYS A 44 -1.429 10.748 -7.670 1.00 0.00 C ATOM 514 C LYS A 44 -2.544 10.470 -6.670 1.00 0.00 C ATOM 515 O LYS A 44 -2.495 10.927 -5.528 1.00 0.00 O ATOM 516 CB LYS A 44 -1.879 11.804 -8.680 1.00 0.00 C ATOM 517 CG LYS A 44 -2.239 13.150 -8.065 1.00 0.00 C ATOM 518 CD LYS A 44 -2.553 14.183 -9.137 1.00 0.00 C ATOM 519 CE LYS A 44 -2.935 15.522 -8.522 1.00 0.00 C ATOM 520 NZ LYS A 44 -3.255 16.538 -9.559 1.00 0.00 N ATOM 0 H LYS A 44 -1.161 9.545 -9.366 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.567 11.128 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.084 11.953 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.744 11.424 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.100 13.033 -7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.412 13.503 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.686 14.312 -9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.369 13.823 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.796 15.388 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.115 15.883 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.510 17.435 -9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.425 16.685 -10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.054 16.206 -10.136 1.00 0.00 H new ATOM 534 N ALA A 45 -3.550 9.719 -7.106 1.00 0.00 N ATOM 535 CA ALA A 45 -4.660 9.348 -6.237 1.00 0.00 C ATOM 536 C ALA A 45 -4.192 8.452 -5.098 1.00 0.00 C ATOM 537 O ALA A 45 -4.677 8.559 -3.972 1.00 0.00 O ATOM 538 CB ALA A 45 -5.754 8.660 -7.042 1.00 0.00 C ATOM 0 H ALA A 45 -3.619 9.355 -8.056 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.066 10.260 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.577 8.388 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.118 9.337 -7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.352 7.761 -7.508 1.00 0.00 H new ATOM 544 N ALA A 46 -3.247 7.567 -5.398 1.00 0.00 N ATOM 545 CA ALA A 46 -2.701 6.660 -4.396 1.00 0.00 C ATOM 546 C ALA A 46 -1.954 7.423 -3.310 1.00 0.00 C ATOM 547 O ALA A 46 -2.076 7.115 -2.124 1.00 0.00 O ATOM 548 CB ALA A 46 -1.787 5.634 -5.051 1.00 0.00 C ATOM 0 H ALA A 46 -2.843 7.459 -6.328 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.534 6.138 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.387 4.964 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.353 5.056 -5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.965 6.146 -5.552 1.00 0.00 H new ATOM 554 N VAL A 47 -1.180 8.422 -3.722 1.00 0.00 N ATOM 555 CA VAL A 47 -0.398 9.222 -2.786 1.00 0.00 C ATOM 556 C VAL A 47 -1.300 10.086 -1.913 1.00 0.00 C ATOM 557 O VAL A 47 -1.162 10.105 -0.691 1.00 0.00 O ATOM 558 CB VAL A 47 0.609 10.127 -3.520 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.219 11.135 -2.558 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.698 9.291 -4.175 1.00 0.00 C ATOM 0 H VAL A 47 -1.078 8.697 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 47 0.150 8.522 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 47 0.077 10.672 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.928 11.766 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.430 11.756 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.736 10.607 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.401 9.947 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.227 8.720 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.248 8.606 -4.894 1.00 0.00 H new ATOM 570 N VAL A 48 -2.224 10.799 -2.549 1.00 0.00 N ATOM 571 CA VAL A 48 -3.129 11.692 -1.835 1.00 0.00 C ATOM 572 C VAL A 48 -4.011 10.918 -0.863 1.00 0.00 C ATOM 573 O VAL A 48 -4.215 11.341 0.275 1.00 0.00 O ATOM 574 CB VAL A 48 -4.023 12.484 -2.806 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.107 13.231 -2.042 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.188 13.455 -3.628 1.00 0.00 C ATOM 0 H VAL A 48 -2.366 10.775 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.506 12.392 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.502 11.779 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.730 13.786 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.723 12.518 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.645 13.925 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.836 14.006 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.683 14.154 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.446 12.901 -4.203 1.00 0.00 H new ATOM 586 N LYS A 49 -4.532 9.785 -1.318 1.00 0.00 N ATOM 587 CA LYS A 49 -5.340 8.917 -0.469 1.00 0.00 C ATOM 588 C LYS A 49 -4.524 8.372 0.696 1.00 0.00 C ATOM 589 O LYS A 49 -4.986 8.358 1.837 1.00 0.00 O ATOM 590 CB LYS A 49 -5.926 7.763 -1.285 1.00 0.00 C ATOM 591 CG LYS A 49 -6.816 6.819 -0.489 1.00 0.00 C ATOM 592 CD LYS A 49 -7.420 5.745 -1.381 1.00 0.00 C ATOM 593 CE LYS A 49 -8.282 4.779 -0.581 1.00 0.00 C ATOM 594 NZ LYS A 49 -8.860 3.708 -1.437 1.00 0.00 N ATOM 0 H LYS A 49 -4.409 9.445 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.157 9.514 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.503 8.176 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.108 7.190 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.234 6.351 0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.613 7.386 -0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.022 6.213 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.623 5.195 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.682 4.327 0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.088 5.329 -0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.440 3.072 -0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.453 4.136 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.092 3.166 -1.881 1.00 0.00 H new ATOM 608 N ALA A 50 -3.307 7.925 0.403 1.00 0.00 N ATOM 609 CA ALA A 50 -2.430 7.366 1.423 1.00 0.00 C ATOM 610 C ALA A 50 -2.036 8.421 2.450 1.00 0.00 C ATOM 611 O ALA A 50 -1.891 8.125 3.635 1.00 0.00 O ATOM 612 CB ALA A 50 -1.191 6.757 0.782 1.00 0.00 C ATOM 0 H ALA A 50 -2.906 7.940 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.977 6.580 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.546 6.344 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.489 5.963 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.650 7.527 0.232 1.00 0.00 H new ATOM 618 N LEU A 51 -1.864 9.654 1.986 1.00 0.00 N ATOM 619 CA LEU A 51 -1.535 10.766 2.870 1.00 0.00 C ATOM 620 C LEU A 51 -2.642 11.004 3.889 1.00 0.00 C ATOM 621 O LEU A 51 -2.375 11.189 5.077 1.00 0.00 O ATOM 622 CB LEU A 51 -1.283 12.038 2.050 1.00 0.00 C ATOM 623 CG LEU A 51 0.063 12.085 1.316 1.00 0.00 C ATOM 624 CD1 LEU A 51 0.070 13.229 0.311 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.188 12.249 2.327 1.00 0.00 C ATOM 0 H LEU A 51 -1.947 9.909 1.002 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.626 10.509 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.083 12.143 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.346 12.899 2.716 1.00 0.00 H new ATOM 0 HG LEU A 51 0.213 11.152 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.030 13.254 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.729 13.080 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.086 14.173 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.144 12.282 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.045 13.176 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.181 11.407 3.019 1.00 0.00 H new ATOM 637 N ASP A 52 -3.885 10.998 3.419 1.00 0.00 N ATOM 638 CA ASP A 52 -5.037 11.159 4.298 1.00 0.00 C ATOM 639 C ASP A 52 -5.233 9.931 5.179 1.00 0.00 C ATOM 640 O ASP A 52 -5.646 10.044 6.333 1.00 0.00 O ATOM 641 CB ASP A 52 -6.302 11.426 3.480 1.00 0.00 C ATOM 642 CG ASP A 52 -6.391 12.830 2.898 1.00 0.00 C ATOM 643 OD1 ASP A 52 -5.639 13.675 3.320 1.00 0.00 O ATOM 644 OD2 ASP A 52 -7.095 13.008 1.933 1.00 0.00 O ATOM 0 H ASP A 52 -4.120 10.883 2.433 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.846 12.016 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.352 10.704 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.172 11.252 4.113 1.00 0.00 H new ATOM 649 N GLN A 53 -4.934 8.760 4.628 1.00 0.00 N ATOM 650 CA GLN A 53 -5.051 7.511 5.372 1.00 0.00 C ATOM 651 C GLN A 53 -4.066 7.467 6.532 1.00 0.00 C ATOM 652 O GLN A 53 -4.402 7.020 7.628 1.00 0.00 O ATOM 653 CB GLN A 53 -4.815 6.313 4.448 1.00 0.00 C ATOM 654 CG GLN A 53 -5.015 4.964 5.116 1.00 0.00 C ATOM 655 CD GLN A 53 -6.439 4.760 5.596 1.00 0.00 C ATOM 656 OE1 GLN A 53 -7.399 5.061 4.882 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.585 4.249 6.814 1.00 0.00 N ATOM 0 H GLN A 53 -4.608 8.649 3.668 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.062 7.459 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.490 6.387 3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.799 6.365 4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.755 4.172 4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.334 4.876 5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.763 4.014 7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.519 4.091 7.192 1.00 0.00 H new ATOM 666 N LEU A 54 -2.846 7.933 6.284 1.00 0.00 N ATOM 667 CA LEU A 54 -1.825 7.996 7.323 1.00 0.00 C ATOM 668 C LEU A 54 -2.216 8.976 8.421 1.00 0.00 C ATOM 669 O LEU A 54 -2.148 8.653 9.607 1.00 0.00 O ATOM 670 CB LEU A 54 -0.472 8.389 6.712 1.00 0.00 C ATOM 671 CG LEU A 54 0.190 7.313 5.843 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.360 7.910 5.075 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.653 6.163 6.724 1.00 0.00 C ATOM 0 H LEU A 54 -2.541 8.273 5.372 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.737 7.007 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.611 9.286 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.211 8.651 7.520 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.532 6.932 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.824 7.138 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.002 8.716 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.094 8.304 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.124 5.398 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.372 6.532 7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.204 5.734 7.242 1.00 0.00 H new ATOM 685 N ALA A 55 -2.625 10.175 8.020 1.00 0.00 N ATOM 686 CA ALA A 55 -3.007 11.212 8.970 1.00 0.00 C ATOM 687 C ALA A 55 -4.244 10.805 9.761 1.00 0.00 C ATOM 688 O ALA A 55 -4.410 11.198 10.916 1.00 0.00 O ATOM 689 CB ALA A 55 -3.245 12.531 8.249 1.00 0.00 C ATOM 0 H ALA A 55 -2.700 10.452 7.041 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.186 11.342 9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.529 13.295 8.973 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.332 12.837 7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.045 12.407 7.519 1.00 0.00 H new ATOM 695 N GLN A 56 -5.110 10.018 9.132 1.00 0.00 N ATOM 696 CA GLN A 56 -6.309 9.517 9.792 1.00 0.00 C ATOM 697 C GLN A 56 -5.957 8.544 10.911 1.00 0.00 C ATOM 698 O GLN A 56 -6.626 8.501 11.943 1.00 0.00 O ATOM 699 CB GLN A 56 -7.230 8.829 8.781 1.00 0.00 C ATOM 700 CG GLN A 56 -8.560 8.376 9.358 1.00 0.00 C ATOM 701 CD GLN A 56 -9.397 9.535 9.863 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.529 10.563 9.192 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.966 9.379 11.052 1.00 0.00 N ATOM 0 H GLN A 56 -5.003 9.713 8.164 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.828 10.371 10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.420 9.514 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.713 7.964 8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.118 7.834 8.595 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.379 7.679 10.176 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.830 8.512 11.573 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.539 10.126 11.445 1.00 0.00 H new ATOM 712 N GLU A 57 -4.903 7.764 10.698 1.00 0.00 N ATOM 713 CA GLU A 57 -4.478 6.768 11.675 1.00 0.00 C ATOM 714 C GLU A 57 -3.517 7.369 12.693 1.00 0.00 C ATOM 715 O GLU A 57 -3.176 6.732 13.690 1.00 0.00 O ATOM 716 CB GLU A 57 -3.822 5.575 10.974 1.00 0.00 C ATOM 717 CG GLU A 57 -4.785 4.710 10.173 1.00 0.00 C ATOM 718 CD GLU A 57 -4.065 3.579 9.493 1.00 0.00 C ATOM 719 OE1 GLU A 57 -3.419 2.818 10.171 1.00 0.00 O ATOM 720 OE2 GLU A 57 -4.252 3.407 8.311 1.00 0.00 O ATOM 0 H GLU A 57 -4.327 7.802 9.857 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.365 6.423 12.206 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.043 5.944 10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.331 4.954 11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.554 4.310 10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.293 5.322 9.427 1.00 0.00 H new ATOM 727 N GLY A 58 -3.085 8.598 12.436 1.00 0.00 N ATOM 728 CA GLY A 58 -2.189 9.301 13.347 1.00 0.00 C ATOM 729 C GLY A 58 -0.733 8.943 13.074 1.00 0.00 C ATOM 730 O GLY A 58 0.118 9.050 13.957 1.00 0.00 O ATOM 0 H GLY A 58 -3.341 9.129 11.604 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.328 10.377 13.240 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.441 9.048 14.377 1.00 0.00 H new ATOM 734 N LYS A 59 -0.454 8.516 11.847 1.00 0.00 N ATOM 735 CA LYS A 59 0.903 8.164 11.448 1.00 0.00 C ATOM 736 C LYS A 59 1.700 9.401 11.058 1.00 0.00 C ATOM 737 O LYS A 59 2.908 9.470 11.285 1.00 0.00 O ATOM 738 CB LYS A 59 0.879 7.166 10.290 1.00 0.00 C ATOM 739 CG LYS A 59 0.193 5.844 10.612 1.00 0.00 C ATOM 740 CD LYS A 59 0.947 5.076 11.686 1.00 0.00 C ATOM 741 CE LYS A 59 0.269 3.751 12.000 1.00 0.00 C ATOM 742 NZ LYS A 59 1.001 2.984 13.045 1.00 0.00 N ATOM 0 H LYS A 59 -1.151 8.405 11.111 1.00 0.00 H new ATOM 0 HA LYS A 59 1.393 7.700 12.304 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.374 7.626 9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.904 6.963 9.980 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.827 6.033 10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.125 5.238 9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.969 4.894 11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.008 5.679 12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.752 3.936 12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.203 3.153 11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.506 2.088 13.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.967 2.784 12.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.042 3.543 13.921 1.00 0.00 H new ATOM 756 N ILE A 60 1.018 10.377 10.469 1.00 0.00 N ATOM 757 CA ILE A 60 1.651 11.635 10.089 1.00 0.00 C ATOM 758 C ILE A 60 0.791 12.827 10.487 1.00 0.00 C ATOM 759 O ILE A 60 -0.391 12.676 10.795 1.00 0.00 O ATOM 760 CB ILE A 60 1.927 11.694 8.576 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.615 11.633 7.790 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.854 10.562 8.159 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.790 11.766 6.296 1.00 0.00 C ATOM 0 H ILE A 60 0.025 10.321 10.244 1.00 0.00 H new ATOM 0 HA ILE A 60 2.600 11.683 10.623 1.00 0.00 H new ATOM 0 HB ILE A 60 2.419 12.640 8.351 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.118 10.687 8.005 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.045 12.427 8.141 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.038 10.619 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.799 10.650 8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.390 9.605 8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.184 11.713 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.258 12.724 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.423 10.957 5.930 1.00 0.00 H new ATOM 775 N LYS A 61 1.391 14.012 10.478 1.00 0.00 N ATOM 776 CA LYS A 61 0.668 15.239 10.789 1.00 0.00 C ATOM 777 C LYS A 61 0.344 16.024 9.524 1.00 0.00 C ATOM 778 O LYS A 61 1.083 15.968 8.542 1.00 0.00 O ATOM 779 CB LYS A 61 1.476 16.107 11.755 1.00 0.00 C ATOM 780 CG LYS A 61 1.635 15.516 13.149 1.00 0.00 C ATOM 781 CD LYS A 61 2.419 16.450 14.060 1.00 0.00 C ATOM 782 CE LYS A 61 2.448 15.934 15.491 1.00 0.00 C ATOM 783 NZ LYS A 61 3.274 16.796 16.377 1.00 0.00 N ATOM 0 H LYS A 61 2.378 14.149 10.258 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.272 14.960 11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.466 16.277 11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.994 17.081 11.839 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.652 15.325 13.580 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.146 14.555 13.083 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.438 16.553 13.688 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.970 17.443 14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.431 15.884 15.879 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.843 14.918 15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.159 16.490 17.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.274 16.717 16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.967 17.785 16.283 1.00 0.00 H new ATOM 797 N GLU A 62 -0.765 16.756 9.555 1.00 0.00 N ATOM 798 CA GLU A 62 -1.252 17.458 8.374 1.00 0.00 C ATOM 799 C GLU A 62 -1.459 18.940 8.660 1.00 0.00 C ATOM 800 O GLU A 62 -1.973 19.312 9.715 1.00 0.00 O ATOM 801 CB GLU A 62 -2.558 16.831 7.879 1.00 0.00 C ATOM 802 CG GLU A 62 -3.219 17.580 6.731 1.00 0.00 C ATOM 803 CD GLU A 62 -4.501 16.917 6.313 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.870 15.941 6.922 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.171 17.448 5.459 1.00 0.00 O ATOM 0 H GLU A 62 -1.343 16.878 10.386 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.496 17.364 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.358 15.808 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.259 16.775 8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.420 18.608 7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.537 17.625 5.882 1.00 0.00 H new ATOM 812 N LYS A 63 -1.056 19.781 7.714 1.00 0.00 N ATOM 813 CA LYS A 63 -1.317 21.214 7.802 1.00 0.00 C ATOM 814 C LYS A 63 -1.520 21.821 6.419 1.00 0.00 C ATOM 815 O LYS A 63 -0.706 21.623 5.518 1.00 0.00 O ATOM 816 CB LYS A 63 -0.172 21.924 8.525 1.00 0.00 C ATOM 817 CG LYS A 63 -0.425 23.399 8.807 1.00 0.00 C ATOM 818 CD LYS A 63 0.692 24.001 9.645 1.00 0.00 C ATOM 819 CE LYS A 63 0.463 25.486 9.889 1.00 0.00 C ATOM 820 NZ LYS A 63 1.521 26.078 10.753 1.00 0.00 N ATOM 0 H LYS A 63 -0.547 19.496 6.877 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.235 21.352 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.018 21.413 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.733 21.831 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.509 23.942 7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.376 23.514 9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.755 23.479 10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.647 23.857 9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.439 26.011 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.511 25.631 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.328 27.090 10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.528 25.595 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.448 25.963 10.295 1.00 0.00 H new ATOM 834 N THR A 64 -2.611 22.562 6.258 1.00 0.00 N ATOM 835 CA THR A 64 -2.934 23.183 4.980 1.00 0.00 C ATOM 836 C THR A 64 -2.225 24.523 4.824 1.00 0.00 C ATOM 837 O THR A 64 -2.337 25.399 5.682 1.00 0.00 O ATOM 838 CB THR A 64 -4.450 23.396 4.821 1.00 0.00 C ATOM 839 OG1 THR A 64 -5.123 22.132 4.892 1.00 0.00 O ATOM 840 CG2 THR A 64 -4.761 24.057 3.487 1.00 0.00 C ATOM 0 H THR A 64 -3.287 22.747 6.999 1.00 0.00 H new ATOM 0 HA THR A 64 -2.589 22.499 4.204 1.00 0.00 H new ATOM 0 HB THR A 64 -4.795 24.046 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.088 22.269 4.792 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.838 24.199 3.394 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.262 25.024 3.435 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.407 23.422 2.675 1.00 0.00 H new ATOM 848 N TYR A 65 -1.496 24.676 3.725 1.00 0.00 N ATOM 849 CA TYR A 65 -0.744 25.899 3.469 1.00 0.00 C ATOM 850 C TYR A 65 -1.116 26.501 2.119 1.00 0.00 C ATOM 851 O TYR A 65 -0.742 25.976 1.070 1.00 0.00 O ATOM 852 CB TYR A 65 0.760 25.624 3.523 1.00 0.00 C ATOM 853 CG TYR A 65 1.616 26.863 3.374 1.00 0.00 C ATOM 854 CD1 TYR A 65 1.853 27.700 4.454 1.00 0.00 C ATOM 855 CD2 TYR A 65 2.185 27.191 2.153 1.00 0.00 C ATOM 856 CE1 TYR A 65 2.633 28.833 4.323 1.00 0.00 C ATOM 857 CE2 TYR A 65 2.967 28.320 2.010 1.00 0.00 C ATOM 858 CZ TYR A 65 3.189 29.139 3.098 1.00 0.00 C ATOM 859 OH TYR A 65 3.968 30.266 2.961 1.00 0.00 O ATOM 0 H TYR A 65 -1.409 23.968 2.996 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.002 26.618 4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.997 25.142 4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.019 24.918 2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.420 27.462 5.414 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.014 26.552 1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.806 29.475 5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.403 28.561 1.052 1.00 0.00 H new ATOM 0 HH TYR A 65 4.283 30.335 2.036 1.00 0.00 H new ATOM 869 N GLY A 66 -1.854 27.605 2.153 1.00 0.00 N ATOM 870 CA GLY A 66 -2.355 28.229 0.934 1.00 0.00 C ATOM 871 C GLY A 66 -3.519 27.441 0.350 1.00 0.00 C ATOM 872 O GLY A 66 -4.555 27.276 0.994 1.00 0.00 O ATOM 0 H GLY A 66 -2.119 28.087 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.674 29.249 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.552 28.295 0.200 1.00 0.00 H new ATOM 876 N LYS A 67 -3.343 26.955 -0.874 1.00 0.00 N ATOM 877 CA LYS A 67 -4.369 26.160 -1.538 1.00 0.00 C ATOM 878 C LYS A 67 -4.021 24.677 -1.511 1.00 0.00 C ATOM 879 O LYS A 67 -4.841 23.830 -1.865 1.00 0.00 O ATOM 880 CB LYS A 67 -4.561 26.629 -2.981 1.00 0.00 C ATOM 881 CG LYS A 67 -5.095 28.050 -3.115 1.00 0.00 C ATOM 882 CD LYS A 67 -5.258 28.443 -4.575 1.00 0.00 C ATOM 883 CE LYS A 67 -5.789 29.863 -4.710 1.00 0.00 C ATOM 884 NZ LYS A 67 -5.987 30.250 -6.133 1.00 0.00 N ATOM 0 H LYS A 67 -2.498 27.098 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.303 26.301 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.606 26.562 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.247 25.947 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.055 28.130 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.414 28.745 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.298 28.361 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.940 27.749 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.735 29.949 -4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.093 30.557 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.349 31.224 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.079 30.193 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.671 29.604 -6.577 1.00 0.00 H new ATOM 898 N GLN A 68 -2.798 24.369 -1.090 1.00 0.00 N ATOM 899 CA GLN A 68 -2.324 22.991 -1.055 1.00 0.00 C ATOM 900 C GLN A 68 -2.153 22.504 0.379 1.00 0.00 C ATOM 901 O GLN A 68 -2.160 23.298 1.319 1.00 0.00 O ATOM 902 CB GLN A 68 -0.998 22.862 -1.807 1.00 0.00 C ATOM 903 CG GLN A 68 -1.065 23.283 -3.265 1.00 0.00 C ATOM 904 CD GLN A 68 -2.009 22.417 -4.075 1.00 0.00 C ATOM 905 OE1 GLN A 68 -1.986 21.186 -3.974 1.00 0.00 O ATOM 906 NE2 GLN A 68 -2.845 23.053 -4.888 1.00 0.00 N ATOM 0 H GLN A 68 -2.117 25.057 -0.768 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.075 22.369 -1.543 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.246 23.466 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.663 21.826 -1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.388 24.322 -3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.067 23.233 -3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.830 24.072 -4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.502 22.523 -5.460 1.00 0.00 H new ATOM 915 N LYS A 69 -1.998 21.194 0.538 1.00 0.00 N ATOM 916 CA LYS A 69 -1.789 20.602 1.853 1.00 0.00 C ATOM 917 C LYS A 69 -0.348 20.139 2.027 1.00 0.00 C ATOM 918 O LYS A 69 0.290 19.692 1.074 1.00 0.00 O ATOM 919 CB LYS A 69 -2.747 19.430 2.072 1.00 0.00 C ATOM 920 CG LYS A 69 -4.216 19.825 2.145 1.00 0.00 C ATOM 921 CD LYS A 69 -5.108 18.607 2.328 1.00 0.00 C ATOM 922 CE LYS A 69 -6.564 19.007 2.511 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.435 17.834 2.794 1.00 0.00 N ATOM 0 H LYS A 69 -2.013 20.522 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.993 21.370 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.616 18.713 1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.474 18.921 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.368 20.517 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.499 20.352 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.015 17.953 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.774 18.037 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.643 19.723 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.917 19.511 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.418 18.152 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.381 17.162 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.116 17.367 3.667 1.00 0.00 H new ATOM 937 N ILE A 70 0.160 20.248 3.251 1.00 0.00 N ATOM 938 CA ILE A 70 1.507 19.789 3.564 1.00 0.00 C ATOM 939 C ILE A 70 1.484 18.692 4.623 1.00 0.00 C ATOM 940 O ILE A 70 0.818 18.823 5.650 1.00 0.00 O ATOM 941 CB ILE A 70 2.399 20.943 4.055 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.559 21.997 2.956 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.755 20.418 4.496 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.300 23.238 3.403 1.00 0.00 C ATOM 0 H ILE A 70 -0.342 20.651 4.042 1.00 0.00 H new ATOM 0 HA ILE A 70 1.924 19.389 2.640 1.00 0.00 H new ATOM 0 HB ILE A 70 1.919 21.411 4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.089 21.552 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.572 22.285 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.372 21.248 4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.622 19.704 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.245 19.925 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.373 23.938 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.760 23.708 4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.301 22.964 3.736 1.00 0.00 H new ATOM 956 N TYR A 71 2.213 17.612 4.365 1.00 0.00 N ATOM 957 CA TYR A 71 2.252 16.479 5.281 1.00 0.00 C ATOM 958 C TYR A 71 3.671 16.215 5.770 1.00 0.00 C ATOM 959 O TYR A 71 4.641 16.451 5.049 1.00 0.00 O ATOM 960 CB TYR A 71 1.689 15.226 4.607 1.00 0.00 C ATOM 961 CG TYR A 71 0.246 15.361 4.171 1.00 0.00 C ATOM 962 CD1 TYR A 71 -0.080 15.971 2.968 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.784 14.877 4.962 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.395 16.097 2.565 1.00 0.00 C ATOM 965 CE2 TYR A 71 -2.103 14.996 4.568 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.405 15.608 3.368 1.00 0.00 C ATOM 967 OH TYR A 71 -3.716 15.730 2.972 1.00 0.00 O ATOM 0 H TYR A 71 2.785 17.498 3.528 1.00 0.00 H new ATOM 0 HA TYR A 71 1.633 16.727 6.144 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.301 14.987 3.737 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.773 14.386 5.296 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.708 16.354 2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.552 14.399 5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.632 16.576 1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.894 14.612 5.196 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.200 14.905 3.186 1.00 0.00 H new ATOM 977 N PHE A 72 3.786 15.726 7.000 1.00 0.00 N ATOM 978 CA PHE A 72 5.078 15.333 7.551 1.00 0.00 C ATOM 979 C PHE A 72 4.910 14.338 8.692 1.00 0.00 C ATOM 980 O PHE A 72 3.908 14.361 9.406 1.00 0.00 O ATOM 981 CB PHE A 72 5.847 16.563 8.034 1.00 0.00 C ATOM 982 CG PHE A 72 5.170 17.301 9.153 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.208 18.265 8.886 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.492 17.034 10.475 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.585 18.946 9.914 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.869 17.713 11.506 1.00 0.00 C ATOM 987 CZ PHE A 72 3.916 18.669 11.225 1.00 0.00 C ATOM 0 H PHE A 72 2.999 15.592 7.635 1.00 0.00 H new ATOM 0 HA PHE A 72 5.647 14.848 6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.839 16.253 8.363 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.988 17.244 7.195 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.943 18.485 7.862 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.238 16.287 10.702 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.839 19.695 9.692 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.129 17.495 12.531 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.429 19.200 12.030 1.00 0.00 H new ATOM 997 N ALA A 73 5.898 13.465 8.858 1.00 0.00 N ATOM 998 CA ALA A 73 5.860 12.456 9.911 1.00 0.00 C ATOM 999 C ALA A 73 6.374 13.016 11.231 1.00 0.00 C ATOM 1000 O ALA A 73 7.289 13.841 11.251 1.00 0.00 O ATOM 1001 CB ALA A 73 6.666 11.233 9.500 1.00 0.00 C ATOM 0 H ALA A 73 6.736 13.436 8.277 1.00 0.00 H new ATOM 0 HA ALA A 73 4.821 12.159 10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.629 10.489 10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.246 10.810 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.702 11.523 9.322 1.00 0.00 H new ATOM 1007 N ASP A 74 5.782 12.565 12.330 1.00 0.00 N ATOM 1008 CA ASP A 74 6.168 13.034 13.656 1.00 0.00 C ATOM 1009 C ASP A 74 5.626 12.115 14.744 1.00 0.00 C ATOM 1010 O ASP A 74 6.191 11.087 14.997 1.00 0.00 O ATOM 1011 CB ASP A 74 5.675 14.465 13.883 1.00 0.00 C ATOM 1012 CG ASP A 74 6.180 15.107 15.168 1.00 0.00 C ATOM 1013 OD1 ASP A 74 6.954 14.484 15.857 1.00 0.00 O ATOM 1014 OD2 ASP A 74 5.915 16.267 15.372 1.00 0.00 O ATOM 0 H ASP A 74 5.032 11.874 12.330 1.00 0.00 H new ATOM 0 HA ASP A 74 7.257 13.022 13.710 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.983 15.081 13.038 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.585 14.463 13.896 1.00 0.00 H new TER 1019 ASP A 74