USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 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 32 ASN : amide:sc= 1.87 K(o=3.1,f=-2.6) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -179:sc= 1.2 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.22) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 0.971 (180deg=0.614) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 17:sc= 0.744 USER MOD Single : A 28 GLN : amide:sc= 0.809 K(o=0.81,f=-0.018) USER MOD Single : A 37 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 45 THR OG1 : rot 180:sc= 0.00478 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0564) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 175:sc= 0 (180deg=-0.0172) USER MOD Single : A 57 SER OG : rot -160:sc= 0.494 USER MOD Single : A 58 SER OG : rot 72:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.030 12.390 -4.985 1.00 0.00 N ATOM 35 CA LEU A 3 -9.002 12.794 -5.931 1.00 0.00 C ATOM 36 C LEU A 3 -9.380 12.470 -7.383 1.00 0.00 C ATOM 37 O LEU A 3 -10.466 11.952 -7.672 1.00 0.00 O ATOM 38 CB LEU A 3 -7.701 12.096 -5.494 1.00 0.00 C ATOM 39 CG LEU A 3 -7.131 12.641 -4.176 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.782 11.985 -3.899 1.00 0.00 C ATOM 41 CD2 LEU A 3 -6.913 14.148 -4.253 1.00 0.00 C ATOM 0 HA LEU A 3 -8.878 13.877 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.889 11.028 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.954 12.211 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.846 12.419 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.375 12.370 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.912 10.906 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.094 12.210 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.509 14.506 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.211 14.374 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.863 14.643 -4.452 1.00 0.00 H new ATOM 52 N THR A 4 -8.474 12.814 -8.299 1.00 0.00 N ATOM 53 CA THR A 4 -8.581 12.524 -9.744 1.00 0.00 C ATOM 54 C THR A 4 -8.372 11.034 -10.054 1.00 0.00 C ATOM 55 O THR A 4 -8.346 10.189 -9.153 1.00 0.00 O ATOM 56 CB THR A 4 -7.621 13.396 -10.576 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.283 13.093 -10.257 1.00 0.00 O ATOM 58 CG2 THR A 4 -7.857 14.891 -10.384 1.00 0.00 C ATOM 0 H THR A 4 -7.619 13.316 -8.058 1.00 0.00 H new ATOM 0 HA THR A 4 -9.601 12.779 -10.034 1.00 0.00 H new ATOM 0 HB THR A 4 -7.823 13.163 -11.622 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.684 13.653 -10.794 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.151 15.452 -10.996 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.875 15.140 -10.684 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.714 15.150 -9.335 1.00 0.00 H new ATOM 66 N GLN A 5 -8.213 10.693 -11.337 1.00 0.00 N ATOM 67 CA GLN A 5 -7.847 9.355 -11.819 1.00 0.00 C ATOM 68 C GLN A 5 -6.625 8.736 -11.112 1.00 0.00 C ATOM 69 O GLN A 5 -6.521 7.510 -11.043 1.00 0.00 O ATOM 70 CB GLN A 5 -7.638 9.409 -13.341 1.00 0.00 C ATOM 71 CG GLN A 5 -6.420 10.233 -13.799 1.00 0.00 C ATOM 72 CD GLN A 5 -6.328 10.292 -15.324 1.00 0.00 C ATOM 73 OE1 GLN A 5 -5.808 9.394 -15.981 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.815 11.342 -15.955 1.00 0.00 N ATOM 0 H GLN A 5 -8.340 11.363 -12.095 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.675 8.691 -11.571 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.531 8.391 -13.715 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.534 9.825 -13.802 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.491 11.244 -13.398 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.508 9.793 -13.395 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.251 12.098 -15.426 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.756 11.399 -16.972 1.00 0.00 H new ATOM 81 N GLY A 6 -5.720 9.556 -10.558 1.00 0.00 N ATOM 82 CA GLY A 6 -4.594 9.070 -9.774 1.00 0.00 C ATOM 83 C GLY A 6 -3.751 10.146 -9.095 1.00 0.00 C ATOM 84 O GLY A 6 -2.532 10.015 -9.113 1.00 0.00 O ATOM 0 H GLY A 6 -5.755 10.572 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.973 8.393 -9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.946 8.484 -10.426 1.00 0.00 H new ATOM 88 N GLU A 7 -4.335 11.180 -8.474 1.00 0.00 N ATOM 89 CA GLU A 7 -3.596 12.265 -7.813 1.00 0.00 C ATOM 90 C GLU A 7 -2.753 11.805 -6.609 1.00 0.00 C ATOM 91 O GLU A 7 -1.899 12.545 -6.135 1.00 0.00 O ATOM 92 CB GLU A 7 -4.577 13.378 -7.394 1.00 0.00 C ATOM 93 CG GLU A 7 -4.220 14.694 -8.087 1.00 0.00 C ATOM 94 CD GLU A 7 -5.021 15.907 -7.573 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.252 15.799 -7.351 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.424 17.001 -7.416 1.00 0.00 O ATOM 0 H GLU A 7 -5.348 11.288 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.881 12.645 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.596 13.089 -7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.547 13.510 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.156 14.889 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.389 14.587 -9.158 1.00 0.00 H new ATOM 101 N LEU A 8 -2.941 10.568 -6.148 1.00 0.00 N ATOM 102 CA LEU A 8 -2.056 9.887 -5.193 1.00 0.00 C ATOM 103 C LEU A 8 -1.269 8.717 -5.823 1.00 0.00 C ATOM 104 O LEU A 8 -0.239 8.309 -5.291 1.00 0.00 O ATOM 105 CB LEU A 8 -2.893 9.508 -3.956 1.00 0.00 C ATOM 106 CG LEU A 8 -3.832 8.295 -4.149 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.201 7.045 -3.529 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.199 8.490 -3.495 1.00 0.00 C ATOM 0 H LEU A 8 -3.734 9.994 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.262 10.562 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.216 9.296 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.493 10.370 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.972 8.187 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.867 6.194 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.246 6.841 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.040 7.209 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.813 7.606 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.071 8.643 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.689 9.361 -3.930 1.00 0.00 H new ATOM 119 N MET A 9 -1.698 8.207 -6.985 1.00 0.00 N ATOM 120 CA MET A 9 -1.082 7.083 -7.705 1.00 0.00 C ATOM 121 C MET A 9 0.253 7.503 -8.315 1.00 0.00 C ATOM 122 O MET A 9 1.308 6.988 -7.948 1.00 0.00 O ATOM 123 CB MET A 9 -2.070 6.499 -8.748 1.00 0.00 C ATOM 124 CG MET A 9 -1.470 6.011 -10.074 1.00 0.00 C ATOM 125 SD MET A 9 -2.393 4.704 -10.931 1.00 0.00 S ATOM 126 CE MET A 9 -3.961 5.556 -11.254 1.00 0.00 C ATOM 0 H MET A 9 -2.515 8.580 -7.468 1.00 0.00 H new ATOM 0 HA MET A 9 -0.862 6.281 -7.001 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.597 5.664 -8.286 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.816 7.261 -8.973 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.380 6.865 -10.745 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.460 5.649 -9.882 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.640 4.883 -11.778 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.411 5.861 -10.309 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.777 6.437 -11.869 1.00 0.00 H new ATOM 134 N LYS A 10 0.222 8.457 -9.243 1.00 0.00 N ATOM 135 CA LYS A 10 1.384 8.913 -10.028 1.00 0.00 C ATOM 136 C LYS A 10 2.390 9.764 -9.217 1.00 0.00 C ATOM 137 O LYS A 10 3.200 10.495 -9.792 1.00 0.00 O ATOM 138 CB LYS A 10 0.839 9.574 -11.316 1.00 0.00 C ATOM 139 CG LYS A 10 0.003 10.843 -11.069 1.00 0.00 C ATOM 140 CD LYS A 10 -1.128 11.054 -12.084 1.00 0.00 C ATOM 141 CE LYS A 10 -1.686 12.472 -11.934 1.00 0.00 C ATOM 142 NZ LYS A 10 -2.723 12.758 -12.958 1.00 0.00 N ATOM 0 H LYS A 10 -0.636 8.954 -9.482 1.00 0.00 H new ATOM 0 HA LYS A 10 2.006 8.065 -10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.678 9.826 -11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.228 8.848 -11.853 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.426 10.794 -10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.663 11.710 -11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.755 10.903 -13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.918 10.321 -11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.113 12.593 -10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.875 13.195 -12.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.081 13.726 -12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.308 12.666 -13.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.507 12.083 -12.856 1.00 0.00 H new ATOM 152 N LEU A 11 2.314 9.680 -7.883 1.00 0.00 N ATOM 153 CA LEU A 11 2.990 10.477 -6.857 1.00 0.00 C ATOM 154 C LEU A 11 3.706 9.578 -5.853 1.00 0.00 C ATOM 155 O LEU A 11 4.858 9.860 -5.522 1.00 0.00 O ATOM 156 CB LEU A 11 1.982 11.356 -6.082 1.00 0.00 C ATOM 157 CG LEU A 11 1.343 12.543 -6.822 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.403 13.483 -7.388 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.442 12.093 -7.968 1.00 0.00 C ATOM 0 H LEU A 11 1.713 8.977 -7.453 1.00 0.00 H new ATOM 0 HA LEU A 11 3.713 11.110 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.178 10.710 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.488 11.746 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 11 0.740 13.065 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.917 14.311 -7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.016 13.872 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.035 12.938 -8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.014 12.967 -8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.028 11.522 -8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.361 11.468 -7.576 1.00 0.00 H new ATOM 170 N ILE A 12 3.075 8.485 -5.388 1.00 0.00 N ATOM 171 CA ILE A 12 3.713 7.612 -4.387 1.00 0.00 C ATOM 172 C ILE A 12 5.020 7.013 -4.914 1.00 0.00 C ATOM 173 O ILE A 12 6.006 6.924 -4.184 1.00 0.00 O ATOM 174 CB ILE A 12 2.771 6.497 -3.889 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.057 5.704 -5.008 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.730 7.071 -2.922 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.046 4.203 -4.683 1.00 0.00 C ATOM 0 H ILE A 12 2.144 8.189 -5.682 1.00 0.00 H new ATOM 0 HA ILE A 12 3.945 8.248 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 12 3.419 5.783 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.035 6.065 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.562 5.872 -5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.072 6.272 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.236 7.517 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.140 7.832 -3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.539 3.661 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.071 3.843 -4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.520 4.038 -3.743 1.00 0.00 H new ATOM 188 N LYS A 13 5.069 6.680 -6.208 1.00 0.00 N ATOM 189 CA LYS A 13 6.282 6.125 -6.846 1.00 0.00 C ATOM 190 C LYS A 13 7.301 7.193 -7.262 1.00 0.00 C ATOM 191 O LYS A 13 8.481 6.907 -7.434 1.00 0.00 O ATOM 192 CB LYS A 13 5.874 5.183 -7.993 1.00 0.00 C ATOM 193 CG LYS A 13 4.914 5.746 -9.060 1.00 0.00 C ATOM 194 CD LYS A 13 5.517 6.671 -10.126 1.00 0.00 C ATOM 195 CE LYS A 13 6.680 6.034 -10.893 1.00 0.00 C ATOM 196 NZ LYS A 13 7.143 6.918 -11.992 1.00 0.00 N ATOM 0 H LYS A 13 4.279 6.784 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 13 6.819 5.539 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.782 4.851 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.411 4.299 -7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.444 4.905 -9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.122 6.292 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.738 6.956 -10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.864 7.587 -9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.505 5.836 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.367 5.073 -11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.963 6.486 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.375 7.045 -12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.415 7.843 -11.602 1.00 0.00 H new ATOM 206 N GLU A 14 6.854 8.438 -7.371 1.00 0.00 N ATOM 207 CA GLU A 14 7.554 9.573 -7.983 1.00 0.00 C ATOM 208 C GLU A 14 8.280 10.427 -6.939 1.00 0.00 C ATOM 209 O GLU A 14 9.238 11.128 -7.274 1.00 0.00 O ATOM 210 CB GLU A 14 6.529 10.427 -8.758 1.00 0.00 C ATOM 211 CG GLU A 14 7.136 11.410 -9.773 1.00 0.00 C ATOM 212 CD GLU A 14 7.969 10.734 -10.882 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.697 9.563 -11.248 1.00 0.00 O ATOM 214 OE2 GLU A 14 8.909 11.381 -11.410 1.00 0.00 O ATOM 0 H GLU A 14 5.936 8.704 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 14 8.315 9.188 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.847 9.760 -9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.933 10.991 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.331 11.982 -10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.768 12.121 -9.241 1.00 0.00 H new ATOM 219 N ILE A 15 7.866 10.332 -5.670 1.00 0.00 N ATOM 220 CA ILE A 15 8.580 10.895 -4.533 1.00 0.00 C ATOM 221 C ILE A 15 9.429 9.790 -3.909 1.00 0.00 C ATOM 222 O ILE A 15 10.632 9.970 -3.757 1.00 0.00 O ATOM 223 CB ILE A 15 7.628 11.595 -3.536 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.681 10.630 -2.784 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.818 12.694 -4.244 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.196 10.345 -1.370 1.00 0.00 C ATOM 0 H ILE A 15 7.007 9.850 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 15 9.246 11.692 -4.863 1.00 0.00 H new ATOM 0 HB ILE A 15 8.270 12.039 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.682 11.063 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.594 9.695 -3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.154 13.176 -3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.499 13.435 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.227 12.251 -5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.512 9.664 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.184 9.889 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.259 11.278 -0.811 1.00 0.00 H new ATOM 237 N VAL A 16 8.874 8.608 -3.613 1.00 0.00 N ATOM 238 CA VAL A 16 9.626 7.617 -2.840 1.00 0.00 C ATOM 239 C VAL A 16 10.850 7.125 -3.614 1.00 0.00 C ATOM 240 O VAL A 16 11.912 6.935 -3.016 1.00 0.00 O ATOM 241 CB VAL A 16 8.758 6.421 -2.415 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.611 5.433 -1.622 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.594 6.830 -1.509 1.00 0.00 C ATOM 0 H VAL A 16 7.935 8.321 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 16 9.958 8.123 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 16 8.360 5.984 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.998 4.584 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.435 5.082 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.010 5.926 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.015 5.947 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.984 7.298 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.953 7.537 -2.036 1.00 0.00 H new ATOM 253 N GLU A 17 10.752 6.988 -4.944 1.00 0.00 N ATOM 254 CA GLU A 17 11.927 6.541 -5.724 1.00 0.00 C ATOM 255 C GLU A 17 12.930 7.671 -6.006 1.00 0.00 C ATOM 256 O GLU A 17 13.999 7.428 -6.574 1.00 0.00 O ATOM 257 CB GLU A 17 11.511 5.840 -7.028 1.00 0.00 C ATOM 258 CG GLU A 17 10.716 4.543 -6.806 1.00 0.00 C ATOM 259 CD GLU A 17 11.602 3.417 -6.245 1.00 0.00 C ATOM 260 OE1 GLU A 17 12.496 2.921 -6.972 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.400 2.977 -5.090 1.00 0.00 O ATOM 0 H GLU A 17 9.910 7.170 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 17 12.442 5.815 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.910 6.527 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.405 5.613 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.893 4.735 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.274 4.222 -7.749 1.00 0.00 H new ATOM 266 N ASN A 18 12.618 8.898 -5.582 1.00 0.00 N ATOM 267 CA ASN A 18 13.389 10.106 -5.835 1.00 0.00 C ATOM 268 C ASN A 18 14.092 10.649 -4.575 1.00 0.00 C ATOM 269 O ASN A 18 15.045 11.423 -4.685 1.00 0.00 O ATOM 270 CB ASN A 18 12.391 11.108 -6.426 1.00 0.00 C ATOM 271 CG ASN A 18 12.991 12.469 -6.703 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.655 12.702 -7.706 1.00 0.00 O ATOM 273 ND2 ASN A 18 12.763 13.412 -5.819 1.00 0.00 N ATOM 0 H ASN A 18 11.781 9.079 -5.028 1.00 0.00 H new ATOM 0 HA ASN A 18 14.211 9.907 -6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.988 10.702 -7.354 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.553 11.223 -5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.140 14.349 -5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.209 13.208 -4.987 1.00 0.00 H new ATOM 279 N GLU A 19 13.635 10.253 -3.383 1.00 0.00 N ATOM 280 CA GLU A 19 14.054 10.851 -2.108 1.00 0.00 C ATOM 281 C GLU A 19 15.256 10.117 -1.505 1.00 0.00 C ATOM 282 O GLU A 19 16.406 10.470 -1.783 1.00 0.00 O ATOM 283 CB GLU A 19 12.861 10.901 -1.135 1.00 0.00 C ATOM 284 CG GLU A 19 11.785 11.926 -1.512 1.00 0.00 C ATOM 285 CD GLU A 19 12.264 13.388 -1.404 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.768 13.808 -0.333 1.00 0.00 O ATOM 287 OE2 GLU A 19 12.134 14.139 -2.402 1.00 0.00 O ATOM 0 H GLU A 19 12.956 9.500 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 19 14.383 11.873 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.404 9.913 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.231 11.130 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.454 11.735 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.919 11.787 -0.865 1.00 0.00 H new ATOM 292 N ASP A 20 15.005 9.093 -0.688 1.00 0.00 N ATOM 293 CA ASP A 20 16.024 8.321 0.012 1.00 0.00 C ATOM 294 C ASP A 20 15.642 6.836 0.025 1.00 0.00 C ATOM 295 O ASP A 20 15.111 6.311 1.003 1.00 0.00 O ATOM 296 CB ASP A 20 16.248 8.868 1.435 1.00 0.00 C ATOM 297 CG ASP A 20 16.973 10.221 1.456 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.225 10.223 1.367 1.00 0.00 O ATOM 299 OD2 ASP A 20 16.314 11.275 1.625 1.00 0.00 O ATOM 0 H ASP A 20 14.057 8.771 -0.492 1.00 0.00 H new ATOM 0 HA ASP A 20 16.970 8.420 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.284 8.972 1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.827 8.144 2.009 1.00 0.00 H new ATOM 303 N LYS A 21 15.947 6.129 -1.067 1.00 0.00 N ATOM 304 CA LYS A 21 15.782 4.665 -1.181 1.00 0.00 C ATOM 305 C LYS A 21 16.617 3.876 -0.152 1.00 0.00 C ATOM 306 O LYS A 21 16.260 2.753 0.200 1.00 0.00 O ATOM 307 CB LYS A 21 16.090 4.234 -2.626 1.00 0.00 C ATOM 308 CG LYS A 21 15.038 4.764 -3.618 1.00 0.00 C ATOM 309 CD LYS A 21 15.258 4.263 -5.055 1.00 0.00 C ATOM 310 CE LYS A 21 16.545 4.767 -5.724 1.00 0.00 C ATOM 311 NZ LYS A 21 16.546 6.241 -5.915 1.00 0.00 N ATOM 0 H LYS A 21 16.322 6.558 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 21 14.746 4.423 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.076 4.600 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.126 3.146 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.046 4.462 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.058 5.854 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.273 3.173 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.406 4.565 -5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.403 4.482 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.664 4.278 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.190 6.490 -6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.584 6.562 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.865 6.704 -5.040 1.00 0.00 H new ATOM 321 N ARG A 22 17.679 4.492 0.388 1.00 0.00 N ATOM 322 CA ARG A 22 18.485 4.066 1.555 1.00 0.00 C ATOM 323 C ARG A 22 17.766 4.162 2.914 1.00 0.00 C ATOM 324 O ARG A 22 18.130 3.442 3.848 1.00 0.00 O ATOM 325 CB ARG A 22 19.781 4.901 1.603 1.00 0.00 C ATOM 326 CG ARG A 22 19.529 6.420 1.610 1.00 0.00 C ATOM 327 CD ARG A 22 20.747 7.198 2.100 1.00 0.00 C ATOM 328 NE ARG A 22 20.480 8.646 2.068 1.00 0.00 N ATOM 329 CZ ARG A 22 21.272 9.635 2.424 1.00 0.00 C ATOM 330 NH1 ARG A 22 22.474 9.445 2.887 1.00 0.00 N ATOM 331 NH2 ARG A 22 20.831 10.853 2.320 1.00 0.00 N ATOM 0 H ARG A 22 18.028 5.367 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 22 18.688 3.006 1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.347 4.630 2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.400 4.647 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 22 19.269 6.749 0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.675 6.643 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.998 6.891 3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 22 21.609 6.967 1.475 1.00 0.00 H new ATOM 0 HE ARG A 22 19.559 8.919 1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 22 22.838 8.497 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 22 23.051 10.244 3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.889 11.026 1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.427 11.636 2.590 1.00 0.00 H new ATOM 342 N LYS A 23 16.773 5.048 3.030 1.00 0.00 N ATOM 343 CA LYS A 23 15.990 5.374 4.242 1.00 0.00 C ATOM 344 C LYS A 23 14.516 5.645 3.855 1.00 0.00 C ATOM 345 O LYS A 23 14.079 6.803 3.866 1.00 0.00 O ATOM 346 CB LYS A 23 16.621 6.582 4.970 1.00 0.00 C ATOM 347 CG LYS A 23 18.032 6.313 5.523 1.00 0.00 C ATOM 348 CD LYS A 23 18.597 7.503 6.313 1.00 0.00 C ATOM 349 CE LYS A 23 18.864 8.717 5.415 1.00 0.00 C ATOM 350 NZ LYS A 23 19.450 9.844 6.185 1.00 0.00 N ATOM 0 H LYS A 23 16.468 5.599 2.228 1.00 0.00 H new ATOM 0 HA LYS A 23 16.007 4.528 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.667 7.425 4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.970 6.878 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.003 5.435 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.703 6.080 4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.895 7.782 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.524 7.205 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.542 8.433 4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.932 9.038 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.618 10.649 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.792 10.130 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 20.351 9.544 6.609 1.00 0.00 H new ATOM 360 N PRO A 24 13.754 4.607 3.460 1.00 0.00 N ATOM 361 CA PRO A 24 12.465 4.760 2.784 1.00 0.00 C ATOM 362 C PRO A 24 11.341 5.251 3.711 1.00 0.00 C ATOM 363 O PRO A 24 11.436 5.196 4.943 1.00 0.00 O ATOM 364 CB PRO A 24 12.144 3.361 2.244 1.00 0.00 C ATOM 365 CG PRO A 24 12.766 2.455 3.303 1.00 0.00 C ATOM 366 CD PRO A 24 14.060 3.192 3.621 1.00 0.00 C ATOM 0 HA PRO A 24 12.530 5.521 2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.070 3.198 2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.580 3.195 1.259 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.127 2.353 4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.950 1.450 2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.395 2.976 4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.861 2.885 2.949 1.00 0.00 H new ATOM 371 N TYR A 25 10.235 5.671 3.095 1.00 0.00 N ATOM 372 CA TYR A 25 8.933 5.869 3.742 1.00 0.00 C ATOM 373 C TYR A 25 8.205 4.523 3.944 1.00 0.00 C ATOM 374 O TYR A 25 8.766 3.438 3.754 1.00 0.00 O ATOM 375 CB TYR A 25 8.086 6.850 2.911 1.00 0.00 C ATOM 376 CG TYR A 25 8.775 8.167 2.610 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.564 8.315 1.455 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.635 9.240 3.505 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.198 9.539 1.179 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.286 10.464 3.250 1.00 0.00 C ATOM 381 CZ TYR A 25 10.065 10.617 2.082 1.00 0.00 C ATOM 382 OH TYR A 25 10.693 11.797 1.832 1.00 0.00 O ATOM 0 H TYR A 25 10.218 5.891 2.099 1.00 0.00 H new ATOM 0 HA TYR A 25 9.089 6.299 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.815 6.371 1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.157 7.052 3.444 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.683 7.483 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.027 9.127 4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.785 9.655 0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.189 11.284 3.947 1.00 0.00 H new ATOM 0 HH TYR A 25 10.496 12.432 2.552 1.00 0.00 H new ATOM 391 N SER A 26 6.938 4.577 4.350 1.00 0.00 N ATOM 392 CA SER A 26 6.006 3.437 4.391 1.00 0.00 C ATOM 393 C SER A 26 4.574 3.923 4.172 1.00 0.00 C ATOM 394 O SER A 26 4.362 5.128 4.057 1.00 0.00 O ATOM 395 CB SER A 26 6.148 2.693 5.720 1.00 0.00 C ATOM 396 OG SER A 26 7.382 1.996 5.733 1.00 0.00 O ATOM 0 H SER A 26 6.510 5.445 4.673 1.00 0.00 H new ATOM 0 HA SER A 26 6.249 2.741 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.105 3.397 6.551 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.321 1.995 5.850 1.00 0.00 H new ATOM 0 HG SER A 26 7.966 2.351 5.030 1.00 0.00 H new ATOM 401 N ASP A 27 3.585 3.031 4.092 1.00 0.00 N ATOM 402 CA ASP A 27 2.200 3.410 3.780 1.00 0.00 C ATOM 403 C ASP A 27 1.578 4.442 4.745 1.00 0.00 C ATOM 404 O ASP A 27 0.810 5.296 4.304 1.00 0.00 O ATOM 405 CB ASP A 27 1.311 2.182 3.557 1.00 0.00 C ATOM 406 CG ASP A 27 1.240 1.152 4.697 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.451 1.505 5.882 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.904 -0.016 4.386 1.00 0.00 O ATOM 0 H ASP A 27 3.717 2.030 4.240 1.00 0.00 H new ATOM 0 HA ASP A 27 2.256 3.945 2.832 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.299 2.530 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.660 1.670 2.660 1.00 0.00 H new ATOM 412 N GLN A 28 1.954 4.470 6.027 1.00 0.00 N ATOM 413 CA GLN A 28 1.611 5.575 6.914 1.00 0.00 C ATOM 414 C GLN A 28 2.328 6.862 6.479 1.00 0.00 C ATOM 415 O GLN A 28 1.692 7.902 6.317 1.00 0.00 O ATOM 416 CB GLN A 28 1.937 5.184 8.367 1.00 0.00 C ATOM 417 CG GLN A 28 1.799 6.343 9.365 1.00 0.00 C ATOM 418 CD GLN A 28 0.400 6.970 9.407 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.467 6.574 10.177 1.00 0.00 O ATOM 420 NE2 GLN A 28 0.123 7.970 8.592 1.00 0.00 N ATOM 0 H GLN A 28 2.500 3.732 6.472 1.00 0.00 H new ATOM 0 HA GLN A 28 0.542 5.779 6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.276 4.373 8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.956 4.799 8.410 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.054 5.982 10.362 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.524 7.116 9.110 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.833 8.312 7.945 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.801 8.401 8.609 1.00 0.00 H new ATOM 427 N GLU A 29 3.650 6.842 6.313 1.00 0.00 N ATOM 428 CA GLU A 29 4.407 8.057 6.050 1.00 0.00 C ATOM 429 C GLU A 29 4.091 8.684 4.690 1.00 0.00 C ATOM 430 O GLU A 29 3.855 9.890 4.641 1.00 0.00 O ATOM 431 CB GLU A 29 5.896 7.787 6.267 1.00 0.00 C ATOM 432 CG GLU A 29 6.282 7.781 7.754 1.00 0.00 C ATOM 433 CD GLU A 29 6.316 9.201 8.362 1.00 0.00 C ATOM 434 OE1 GLU A 29 5.241 9.781 8.657 1.00 0.00 O ATOM 435 OE2 GLU A 29 7.429 9.748 8.559 1.00 0.00 O ATOM 0 H GLU A 29 4.216 5.995 6.357 1.00 0.00 H new ATOM 0 HA GLU A 29 4.094 8.818 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.156 6.826 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.479 8.547 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.571 7.169 8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.261 7.316 7.870 1.00 0.00 H new ATOM 440 N ILE A 30 3.973 7.912 3.606 1.00 0.00 N ATOM 441 CA ILE A 30 3.493 8.451 2.327 1.00 0.00 C ATOM 442 C ILE A 30 2.080 9.030 2.445 1.00 0.00 C ATOM 443 O ILE A 30 1.855 10.129 1.949 1.00 0.00 O ATOM 444 CB ILE A 30 3.670 7.475 1.144 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.744 6.249 1.224 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.148 7.079 1.036 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.058 5.117 0.234 1.00 0.00 C ATOM 0 H ILE A 30 4.201 6.918 3.586 1.00 0.00 H new ATOM 0 HA ILE A 30 4.143 9.291 2.081 1.00 0.00 H new ATOM 0 HB ILE A 30 3.369 7.991 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.790 5.846 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.718 6.579 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.280 6.390 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.752 7.971 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.463 6.595 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.347 4.303 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.981 5.494 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.069 4.750 0.410 1.00 0.00 H new ATOM 458 N ALA A 31 1.156 8.401 3.186 1.00 0.00 N ATOM 459 CA ALA A 31 -0.169 8.992 3.431 1.00 0.00 C ATOM 460 C ALA A 31 -0.081 10.328 4.202 1.00 0.00 C ATOM 461 O ALA A 31 -0.857 11.256 3.956 1.00 0.00 O ATOM 462 CB ALA A 31 -1.027 7.982 4.199 1.00 0.00 C ATOM 0 H ALA A 31 1.299 7.491 3.623 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.628 9.219 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.012 8.409 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.133 7.072 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.548 7.745 5.149 1.00 0.00 H new ATOM 468 N ASN A 32 0.882 10.441 5.118 1.00 0.00 N ATOM 469 CA ASN A 32 1.113 11.599 5.975 1.00 0.00 C ATOM 470 C ASN A 32 1.588 12.827 5.186 1.00 0.00 C ATOM 471 O ASN A 32 0.967 13.883 5.266 1.00 0.00 O ATOM 472 CB ASN A 32 2.093 11.174 7.084 1.00 0.00 C ATOM 473 CG ASN A 32 2.399 12.233 8.128 1.00 0.00 C ATOM 474 OD1 ASN A 32 1.660 13.187 8.335 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.498 12.092 8.835 1.00 0.00 N ATOM 0 H ASN A 32 1.552 9.691 5.288 1.00 0.00 H new ATOM 0 HA ASN A 32 0.175 11.920 6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.685 10.298 7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.029 10.866 6.619 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.733 12.776 9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.116 11.298 8.665 1.00 0.00 H new ATOM 481 N ILE A 33 2.651 12.705 4.389 1.00 0.00 N ATOM 482 CA ILE A 33 3.185 13.840 3.604 1.00 0.00 C ATOM 483 C ILE A 33 2.196 14.284 2.517 1.00 0.00 C ATOM 484 O ILE A 33 2.082 15.471 2.212 1.00 0.00 O ATOM 485 CB ILE A 33 4.534 13.501 2.942 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.526 12.807 3.904 1.00 0.00 C ATOM 487 CG2 ILE A 33 5.199 14.749 2.349 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.959 11.482 3.294 1.00 0.00 C ATOM 0 H ILE A 33 3.166 11.833 4.264 1.00 0.00 H new ATOM 0 HA ILE A 33 3.336 14.654 4.313 1.00 0.00 H new ATOM 0 HB ILE A 33 4.295 12.799 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.393 13.444 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.057 12.640 4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.148 14.472 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.545 15.186 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.377 15.477 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.659 10.984 3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.085 10.847 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.443 11.664 2.334 1.00 0.00 H new ATOM 499 N LEU A 34 1.429 13.343 1.958 1.00 0.00 N ATOM 500 CA LEU A 34 0.388 13.614 0.962 1.00 0.00 C ATOM 501 C LEU A 34 -0.722 14.514 1.517 1.00 0.00 C ATOM 502 O LEU A 34 -1.362 15.254 0.764 1.00 0.00 O ATOM 503 CB LEU A 34 -0.153 12.268 0.438 1.00 0.00 C ATOM 504 CG LEU A 34 0.561 11.715 -0.818 1.00 0.00 C ATOM 505 CD1 LEU A 34 2.081 11.920 -0.836 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.245 10.224 -0.993 1.00 0.00 C ATOM 0 H LEU A 34 1.516 12.353 2.189 1.00 0.00 H new ATOM 0 HA LEU A 34 0.820 14.171 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.076 11.529 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.213 12.384 0.212 1.00 0.00 H new ATOM 0 HG LEU A 34 0.168 12.299 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.494 11.501 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.305 12.986 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.526 11.419 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.753 9.846 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.588 9.674 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.831 10.091 -1.107 1.00 0.00 H new ATOM 517 N LYS A 35 -0.904 14.531 2.839 1.00 0.00 N ATOM 518 CA LYS A 35 -1.868 15.420 3.506 1.00 0.00 C ATOM 519 C LYS A 35 -1.345 16.850 3.685 1.00 0.00 C ATOM 520 O LYS A 35 -2.129 17.762 3.946 1.00 0.00 O ATOM 521 CB LYS A 35 -2.325 14.753 4.820 1.00 0.00 C ATOM 522 CG LYS A 35 -1.712 15.363 6.091 1.00 0.00 C ATOM 523 CD LYS A 35 -1.845 14.415 7.287 1.00 0.00 C ATOM 524 CE LYS A 35 -1.435 15.085 8.605 1.00 0.00 C ATOM 525 NZ LYS A 35 0.000 15.465 8.622 1.00 0.00 N ATOM 0 H LYS A 35 -0.388 13.929 3.481 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.740 15.549 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.411 14.819 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.072 13.693 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.659 15.587 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.206 16.308 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.876 14.070 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.225 13.534 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.046 15.974 8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.639 14.407 9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.234 15.898 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.585 14.617 8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.188 16.146 7.859 1.00 0.00 H new ATOM 535 N GLU A 36 -0.035 17.062 3.528 1.00 0.00 N ATOM 536 CA GLU A 36 0.609 18.369 3.701 1.00 0.00 C ATOM 537 C GLU A 36 0.602 19.197 2.409 1.00 0.00 C ATOM 538 O GLU A 36 0.876 20.400 2.462 1.00 0.00 O ATOM 539 CB GLU A 36 2.055 18.211 4.208 1.00 0.00 C ATOM 540 CG GLU A 36 2.147 17.446 5.534 1.00 0.00 C ATOM 541 CD GLU A 36 3.565 17.542 6.129 1.00 0.00 C ATOM 542 OE1 GLU A 36 4.449 16.730 5.761 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.806 18.438 6.977 1.00 0.00 O ATOM 0 H GLU A 36 0.618 16.321 3.274 1.00 0.00 H new ATOM 0 HA GLU A 36 0.023 18.906 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.644 17.690 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.500 19.198 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.423 17.850 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.886 16.400 5.373 1.00 0.00 H new ATOM 548 N LYS A 37 0.283 18.580 1.257 1.00 0.00 N ATOM 549 CA LYS A 37 0.377 19.233 -0.061 1.00 0.00 C ATOM 550 C LYS A 37 -0.903 19.188 -0.900 1.00 0.00 C ATOM 551 O LYS A 37 -1.091 20.087 -1.726 1.00 0.00 O ATOM 552 CB LYS A 37 1.626 18.729 -0.792 1.00 0.00 C ATOM 553 CG LYS A 37 1.588 17.219 -1.060 1.00 0.00 C ATOM 554 CD LYS A 37 2.901 16.748 -1.704 1.00 0.00 C ATOM 555 CE LYS A 37 3.954 16.561 -0.615 1.00 0.00 C ATOM 556 NZ LYS A 37 5.327 16.495 -1.178 1.00 0.00 N ATOM 0 H LYS A 37 -0.047 17.616 1.214 1.00 0.00 H new ATOM 0 HA LYS A 37 0.490 20.303 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.726 19.259 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.509 18.966 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.423 16.683 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.750 16.982 -1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.743 15.811 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.244 17.479 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.892 17.385 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.745 15.646 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.013 16.368 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.394 15.693 -1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.537 17.378 -1.685 1.00 0.00 H new ATOM 566 N GLY A 38 -1.837 18.267 -0.630 1.00 0.00 N ATOM 567 CA GLY A 38 -3.255 18.515 -0.927 1.00 0.00 C ATOM 568 C GLY A 38 -4.134 17.276 -1.049 1.00 0.00 C ATOM 569 O GLY A 38 -5.330 17.408 -1.321 1.00 0.00 O ATOM 0 H GLY A 38 -1.642 17.357 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.665 19.152 -0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.319 19.076 -1.860 1.00 0.00 H new ATOM 573 N PHE A 39 -3.573 16.074 -0.885 1.00 0.00 N ATOM 574 CA PHE A 39 -4.249 14.837 -1.246 1.00 0.00 C ATOM 575 C PHE A 39 -5.086 14.266 -0.102 1.00 0.00 C ATOM 576 O PHE A 39 -6.111 13.624 -0.346 1.00 0.00 O ATOM 577 CB PHE A 39 -3.204 13.824 -1.728 1.00 0.00 C ATOM 578 CG PHE A 39 -2.286 14.383 -2.793 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.802 14.656 -4.073 1.00 0.00 C ATOM 580 CD2 PHE A 39 -0.942 14.690 -2.495 1.00 0.00 C ATOM 581 CE1 PHE A 39 -1.985 15.248 -5.047 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.124 15.249 -3.491 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.642 15.537 -4.765 1.00 0.00 C ATOM 0 H PHE A 39 -2.639 15.938 -0.498 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.953 15.054 -2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.607 13.494 -0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.713 12.944 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.827 14.410 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.545 14.497 -1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.392 15.483 -6.019 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.913 15.459 -3.275 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.010 15.978 -5.522 1.00 0.00 H new ATOM 592 N LYS A 40 -4.624 14.506 1.137 1.00 0.00 N ATOM 593 CA LYS A 40 -5.068 13.978 2.440 1.00 0.00 C ATOM 594 C LYS A 40 -5.697 12.581 2.366 1.00 0.00 C ATOM 595 O LYS A 40 -6.717 12.303 3.001 1.00 0.00 O ATOM 596 CB LYS A 40 -5.897 15.039 3.189 1.00 0.00 C ATOM 597 CG LYS A 40 -7.079 15.575 2.368 1.00 0.00 C ATOM 598 CD LYS A 40 -8.304 15.919 3.230 1.00 0.00 C ATOM 599 CE LYS A 40 -8.971 14.644 3.758 1.00 0.00 C ATOM 600 NZ LYS A 40 -10.142 14.953 4.615 1.00 0.00 N ATOM 0 H LYS A 40 -3.841 15.148 1.264 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.184 13.792 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.273 14.608 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.248 15.870 3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.763 16.466 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.363 14.832 1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.001 16.550 4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.020 16.493 2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.287 14.024 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.246 14.063 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.568 14.067 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.836 15.523 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.845 15.486 4.064 1.00 0.00 H new ATOM 610 N VAL A 41 -5.056 11.702 1.593 1.00 0.00 N ATOM 611 CA VAL A 41 -5.437 10.285 1.474 1.00 0.00 C ATOM 612 C VAL A 41 -4.855 9.516 2.677 1.00 0.00 C ATOM 613 O VAL A 41 -3.749 9.802 3.145 1.00 0.00 O ATOM 614 CB VAL A 41 -5.057 9.671 0.108 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.586 9.968 -0.233 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.200 8.147 0.084 1.00 0.00 C ATOM 0 H VAL A 41 -4.248 11.953 1.024 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.524 10.203 1.502 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.742 10.121 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.340 9.526 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.433 11.046 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.941 9.542 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.920 7.771 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.548 7.708 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.234 7.875 0.295 1.00 0.00 H new ATOM 626 N ALA A 42 -5.603 8.552 3.200 1.00 0.00 N ATOM 627 CA ALA A 42 -5.290 7.671 4.309 1.00 0.00 C ATOM 628 C ALA A 42 -4.438 6.467 3.866 1.00 0.00 C ATOM 629 O ALA A 42 -4.386 6.085 2.692 1.00 0.00 O ATOM 630 CB ALA A 42 -6.614 7.198 4.926 1.00 0.00 C ATOM 0 H ALA A 42 -6.528 8.352 2.820 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.697 8.216 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.408 6.532 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.180 8.060 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.196 6.665 4.174 1.00 0.00 H new ATOM 636 N ARG A 43 -3.824 5.802 4.844 1.00 0.00 N ATOM 637 CA ARG A 43 -2.919 4.661 4.646 1.00 0.00 C ATOM 638 C ARG A 43 -3.545 3.507 3.879 1.00 0.00 C ATOM 639 O ARG A 43 -2.872 2.839 3.101 1.00 0.00 O ATOM 640 CB ARG A 43 -2.387 4.214 6.018 1.00 0.00 C ATOM 641 CG ARG A 43 -1.423 3.018 5.948 1.00 0.00 C ATOM 642 CD ARG A 43 -2.042 1.610 5.991 1.00 0.00 C ATOM 643 NE ARG A 43 -2.598 1.241 7.307 1.00 0.00 N ATOM 644 CZ ARG A 43 -3.100 0.055 7.605 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.232 -0.881 6.712 1.00 0.00 N ATOM 646 NH2 ARG A 43 -3.491 -0.220 8.813 1.00 0.00 N ATOM 0 H ARG A 43 -3.944 6.047 5.827 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.095 4.992 4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.877 5.053 6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.230 3.953 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.844 3.104 5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.719 3.103 6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.833 1.549 5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.282 0.881 5.711 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.595 1.952 8.039 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.944 -0.711 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.623 -1.785 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.413 0.484 9.547 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.876 -1.140 9.027 1.00 0.00 H new ATOM 657 N ARG A 44 -4.830 3.253 4.097 1.00 0.00 N ATOM 658 CA ARG A 44 -5.531 2.058 3.615 1.00 0.00 C ATOM 659 C ARG A 44 -5.627 2.052 2.093 1.00 0.00 C ATOM 660 O ARG A 44 -5.571 1.001 1.456 1.00 0.00 O ATOM 661 CB ARG A 44 -6.920 2.027 4.266 1.00 0.00 C ATOM 662 CG ARG A 44 -6.891 1.384 5.669 1.00 0.00 C ATOM 663 CD ARG A 44 -6.303 2.289 6.766 1.00 0.00 C ATOM 664 NE ARG A 44 -6.304 1.619 8.085 1.00 0.00 N ATOM 665 CZ ARG A 44 -6.852 2.030 9.217 1.00 0.00 C ATOM 666 NH1 ARG A 44 -7.519 3.138 9.338 1.00 0.00 N ATOM 667 NH2 ARG A 44 -6.749 1.311 10.295 1.00 0.00 N ATOM 0 H ARG A 44 -5.432 3.884 4.626 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.975 1.162 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.307 3.043 4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.607 1.471 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.907 1.105 5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.309 0.464 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.283 2.568 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.881 3.211 6.826 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.819 0.723 8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.645 3.748 8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.917 3.398 10.241 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.244 0.425 10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.173 1.633 11.165 1.00 0.00 H new ATOM 678 N THR A 45 -5.728 3.249 1.528 1.00 0.00 N ATOM 679 CA THR A 45 -5.830 3.579 0.124 1.00 0.00 C ATOM 680 C THR A 45 -4.456 3.557 -0.510 1.00 0.00 C ATOM 681 O THR A 45 -4.221 2.880 -1.512 1.00 0.00 O ATOM 682 CB THR A 45 -6.379 5.008 0.034 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.408 5.248 0.976 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.873 5.307 -1.361 1.00 0.00 C ATOM 0 H THR A 45 -5.741 4.091 2.104 1.00 0.00 H new ATOM 0 HA THR A 45 -6.474 2.864 -0.388 1.00 0.00 H new ATOM 0 HB THR A 45 -5.553 5.678 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.727 6.170 0.884 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.258 6.326 -1.400 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.050 5.202 -2.069 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.668 4.609 -1.623 1.00 0.00 H new ATOM 692 N VAL A 46 -3.532 4.287 0.117 1.00 0.00 N ATOM 693 CA VAL A 46 -2.193 4.516 -0.387 1.00 0.00 C ATOM 694 C VAL A 46 -1.407 3.195 -0.482 1.00 0.00 C ATOM 695 O VAL A 46 -0.582 3.001 -1.377 1.00 0.00 O ATOM 696 CB VAL A 46 -1.501 5.592 0.478 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.599 5.026 1.567 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.656 6.531 -0.373 1.00 0.00 C ATOM 0 H VAL A 46 -3.707 4.744 1.012 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.234 4.900 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.325 6.124 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.151 5.845 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.188 4.403 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.188 4.425 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.183 7.276 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.113 5.959 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.292 7.031 -1.103 1.00 0.00 H new ATOM 708 N ALA A 47 -1.725 2.255 0.420 1.00 0.00 N ATOM 709 CA ALA A 47 -1.158 0.926 0.535 1.00 0.00 C ATOM 710 C ALA A 47 -1.590 0.010 -0.613 1.00 0.00 C ATOM 711 O ALA A 47 -0.801 -0.802 -1.099 1.00 0.00 O ATOM 712 CB ALA A 47 -1.612 0.319 1.870 1.00 0.00 C ATOM 0 H ALA A 47 -2.435 2.427 1.132 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.072 1.012 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.195 -0.683 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.264 0.945 2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.700 0.263 1.893 1.00 0.00 H new ATOM 718 N LYS A 48 -2.847 0.142 -1.061 1.00 0.00 N ATOM 719 CA LYS A 48 -3.393 -0.647 -2.170 1.00 0.00 C ATOM 720 C LYS A 48 -2.966 -0.114 -3.543 1.00 0.00 C ATOM 721 O LYS A 48 -3.068 -0.837 -4.536 1.00 0.00 O ATOM 722 CB LYS A 48 -4.921 -0.754 -2.002 1.00 0.00 C ATOM 723 CG LYS A 48 -5.261 -2.022 -1.193 1.00 0.00 C ATOM 724 CD LYS A 48 -6.769 -2.216 -0.949 1.00 0.00 C ATOM 725 CE LYS A 48 -7.301 -1.470 0.282 1.00 0.00 C ATOM 726 NZ LYS A 48 -6.822 -2.083 1.549 1.00 0.00 N ATOM 0 H LYS A 48 -3.514 0.802 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.973 -1.652 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.304 0.130 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.403 -0.792 -2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.872 -2.893 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.749 -1.977 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.316 -1.880 -1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.974 -3.280 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.985 -0.428 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.391 -1.473 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.344 -1.675 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.981 -3.110 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.806 -1.893 1.664 1.00 0.00 H new ATOM 736 N TYR A 49 -2.443 1.114 -3.611 1.00 0.00 N ATOM 737 CA TYR A 49 -2.008 1.751 -4.861 1.00 0.00 C ATOM 738 C TYR A 49 -0.611 1.343 -5.298 1.00 0.00 C ATOM 739 O TYR A 49 -0.416 1.056 -6.481 1.00 0.00 O ATOM 740 CB TYR A 49 -2.160 3.275 -4.772 1.00 0.00 C ATOM 741 CG TYR A 49 -3.527 3.740 -5.249 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.673 2.937 -5.073 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.613 4.924 -5.998 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.871 3.271 -5.734 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.814 5.279 -6.639 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.938 4.428 -6.542 1.00 0.00 C ATOM 747 OH TYR A 49 -7.071 4.704 -7.244 1.00 0.00 O ATOM 0 H TYR A 49 -2.307 1.703 -2.789 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.670 1.383 -5.645 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.008 3.595 -3.741 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.385 3.752 -5.372 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.632 2.068 -4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.750 5.568 -6.083 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.741 2.641 -5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.877 6.198 -7.203 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.950 5.536 -7.747 1.00 0.00 H new ATOM 756 N ARG A 50 0.347 1.217 -4.373 1.00 0.00 N ATOM 757 CA ARG A 50 1.697 0.718 -4.732 1.00 0.00 C ATOM 758 C ARG A 50 1.679 -0.618 -5.487 1.00 0.00 C ATOM 759 O ARG A 50 2.568 -0.863 -6.300 1.00 0.00 O ATOM 760 CB ARG A 50 2.621 0.638 -3.506 1.00 0.00 C ATOM 761 CG ARG A 50 2.015 -0.158 -2.351 1.00 0.00 C ATOM 762 CD ARG A 50 3.086 -0.700 -1.406 1.00 0.00 C ATOM 763 NE ARG A 50 2.425 -1.231 -0.206 1.00 0.00 N ATOM 764 CZ ARG A 50 2.399 -0.680 0.985 1.00 0.00 C ATOM 765 NH1 ARG A 50 3.246 0.234 1.353 1.00 0.00 N ATOM 766 NH2 ARG A 50 1.482 -1.058 1.815 1.00 0.00 N ATOM 0 H ARG A 50 0.226 1.446 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 50 2.102 1.458 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.565 0.180 -3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.849 1.647 -3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.328 0.478 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.430 -0.987 -2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.664 -1.483 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.786 0.090 -1.134 1.00 0.00 H new ATOM 0 HE ARG A 50 1.936 -2.120 -0.309 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.968 0.550 0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.189 0.635 2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.803 -1.767 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.437 -0.647 2.748 1.00 0.00 H new ATOM 777 N GLU A 51 0.639 -1.431 -5.286 1.00 0.00 N ATOM 778 CA GLU A 51 0.465 -2.732 -5.941 1.00 0.00 C ATOM 779 C GLU A 51 0.160 -2.611 -7.445 1.00 0.00 C ATOM 780 O GLU A 51 0.684 -3.395 -8.245 1.00 0.00 O ATOM 781 CB GLU A 51 -0.643 -3.519 -5.221 1.00 0.00 C ATOM 782 CG GLU A 51 -0.754 -4.967 -5.720 1.00 0.00 C ATOM 783 CD GLU A 51 -1.849 -5.740 -4.962 1.00 0.00 C ATOM 784 OE1 GLU A 51 -3.041 -5.639 -5.347 1.00 0.00 O ATOM 785 OE2 GLU A 51 -1.522 -6.479 -4.000 1.00 0.00 O ATOM 0 H GLU A 51 -0.123 -1.199 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 51 1.411 -3.269 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.445 -3.522 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.597 -3.013 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.977 -4.970 -6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.204 -5.472 -5.593 1.00 0.00 H new ATOM 790 N MET A 52 -0.668 -1.637 -7.846 1.00 0.00 N ATOM 791 CA MET A 52 -1.035 -1.433 -9.257 1.00 0.00 C ATOM 792 C MET A 52 0.043 -0.676 -10.051 1.00 0.00 C ATOM 793 O MET A 52 0.126 -0.821 -11.275 1.00 0.00 O ATOM 794 CB MET A 52 -2.423 -0.776 -9.392 1.00 0.00 C ATOM 795 CG MET A 52 -2.503 0.683 -8.924 1.00 0.00 C ATOM 796 SD MET A 52 -4.088 1.510 -9.239 1.00 0.00 S ATOM 797 CE MET A 52 -5.151 0.645 -8.050 1.00 0.00 C ATOM 0 H MET A 52 -1.101 -0.971 -7.207 1.00 0.00 H new ATOM 0 HA MET A 52 -1.098 -2.424 -9.707 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.730 -0.823 -10.437 1.00 0.00 H new ATOM 0 HB3 MET A 52 -3.143 -1.364 -8.822 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.301 0.716 -7.853 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.712 1.249 -9.415 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.143 1.097 -8.053 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.230 -0.406 -8.329 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.720 0.724 -7.052 1.00 0.00 H new ATOM 805 N LEU A 53 0.892 0.104 -9.370 1.00 0.00 N ATOM 806 CA LEU A 53 2.013 0.841 -9.956 1.00 0.00 C ATOM 807 C LEU A 53 3.247 -0.053 -10.157 1.00 0.00 C ATOM 808 O LEU A 53 3.670 -0.264 -11.298 1.00 0.00 O ATOM 809 CB LEU A 53 2.273 2.069 -9.071 1.00 0.00 C ATOM 810 CG LEU A 53 1.177 3.121 -9.320 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.790 3.830 -8.028 1.00 0.00 C ATOM 812 CD2 LEU A 53 1.712 4.103 -10.351 1.00 0.00 C ATOM 0 H LEU A 53 0.813 0.242 -8.363 1.00 0.00 H new ATOM 0 HA LEU A 53 1.767 1.181 -10.962 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.281 1.778 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.254 2.490 -9.293 1.00 0.00 H new ATOM 0 HG LEU A 53 0.271 2.642 -9.691 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.014 4.567 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.414 3.100 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.664 4.331 -7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.959 4.865 -10.553 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.615 4.578 -9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.946 3.571 -11.273 1.00 0.00 H new ATOM 823 N GLY A 54 3.803 -0.611 -9.075 1.00 0.00 N ATOM 824 CA GLY A 54 4.818 -1.671 -9.150 1.00 0.00 C ATOM 825 C GLY A 54 5.673 -1.942 -7.902 1.00 0.00 C ATOM 826 O GLY A 54 6.616 -2.734 -7.986 1.00 0.00 O ATOM 0 H GLY A 54 3.562 -0.341 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.312 -2.599 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.493 -1.429 -9.971 1.00 0.00 H new ATOM 830 N ILE A 55 5.404 -1.291 -6.766 1.00 0.00 N ATOM 831 CA ILE A 55 6.237 -1.352 -5.552 1.00 0.00 C ATOM 832 C ILE A 55 5.716 -2.424 -4.560 1.00 0.00 C ATOM 833 O ILE A 55 4.526 -2.415 -4.222 1.00 0.00 O ATOM 834 CB ILE A 55 6.343 0.058 -4.934 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.288 0.929 -5.792 1.00 0.00 C ATOM 836 CG2 ILE A 55 6.841 0.026 -3.478 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.968 2.423 -5.675 1.00 0.00 C ATOM 0 H ILE A 55 4.585 -0.693 -6.658 1.00 0.00 H new ATOM 0 HA ILE A 55 7.246 -1.672 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 55 5.341 0.487 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.319 0.755 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.212 0.624 -6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.898 1.043 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.149 -0.556 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.830 -0.432 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.659 2.993 -6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.946 2.604 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.070 2.737 -4.636 1.00 0.00 H new ATOM 848 N PRO A 56 6.581 -3.344 -4.072 1.00 0.00 N ATOM 849 CA PRO A 56 6.215 -4.419 -3.139 1.00 0.00 C ATOM 850 C PRO A 56 5.949 -3.922 -1.705 1.00 0.00 C ATOM 851 O PRO A 56 4.919 -4.244 -1.114 1.00 0.00 O ATOM 852 CB PRO A 56 7.366 -5.429 -3.209 1.00 0.00 C ATOM 853 CG PRO A 56 8.571 -4.593 -3.629 1.00 0.00 C ATOM 854 CD PRO A 56 7.977 -3.467 -4.464 1.00 0.00 C ATOM 0 HA PRO A 56 5.266 -4.872 -3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.532 -5.911 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.159 -6.220 -3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.107 -4.205 -2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.283 -5.183 -4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.511 -2.533 -4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.062 -3.689 -5.528 1.00 0.00 H new ATOM 859 N SER A 57 6.859 -3.120 -1.148 1.00 0.00 N ATOM 860 CA SER A 57 6.691 -2.370 0.110 1.00 0.00 C ATOM 861 C SER A 57 7.303 -0.972 -0.031 1.00 0.00 C ATOM 862 O SER A 57 6.600 0.040 -0.091 1.00 0.00 O ATOM 863 CB SER A 57 7.313 -3.103 1.325 1.00 0.00 C ATOM 864 OG SER A 57 8.573 -3.674 1.012 1.00 0.00 O ATOM 0 H SER A 57 7.773 -2.965 -1.575 1.00 0.00 H new ATOM 0 HA SER A 57 5.621 -2.288 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.428 -2.402 2.152 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.634 -3.886 1.663 1.00 0.00 H new ATOM 0 HG SER A 57 8.786 -4.374 1.664 1.00 0.00 H new ATOM 869 N SER A 58 8.636 -0.983 -0.132 1.00 0.00 N ATOM 870 CA SER A 58 9.691 0.046 -0.006 1.00 0.00 C ATOM 871 C SER A 58 10.688 -0.329 1.103 1.00 0.00 C ATOM 872 O SER A 58 11.835 0.119 1.081 1.00 0.00 O ATOM 873 CB SER A 58 9.181 1.473 0.253 1.00 0.00 C ATOM 874 OG SER A 58 8.364 1.921 -0.810 1.00 0.00 O ATOM 0 H SER A 58 9.083 -1.876 -0.342 1.00 0.00 H new ATOM 0 HA SER A 58 10.173 0.060 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.617 1.497 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.028 2.149 0.375 1.00 0.00 H new ATOM 0 HG SER A 58 7.503 1.453 -0.781 1.00 0.00 H new ATOM 879 N ARG A 59 10.286 -1.211 2.032 1.00 0.00 N ATOM 880 CA ARG A 59 11.098 -1.795 3.111 1.00 0.00 C ATOM 881 C ARG A 59 12.040 -2.846 2.534 1.00 0.00 C ATOM 882 O ARG A 59 13.219 -2.886 2.880 1.00 0.00 O ATOM 883 CB ARG A 59 10.128 -2.378 4.162 1.00 0.00 C ATOM 884 CG ARG A 59 10.780 -3.167 5.312 1.00 0.00 C ATOM 885 CD ARG A 59 9.709 -3.536 6.353 1.00 0.00 C ATOM 886 NE ARG A 59 10.185 -4.520 7.345 1.00 0.00 N ATOM 887 CZ ARG A 59 9.451 -5.166 8.237 1.00 0.00 C ATOM 888 NH1 ARG A 59 8.178 -4.946 8.407 1.00 0.00 N ATOM 889 NH2 ARG A 59 9.987 -6.077 8.995 1.00 0.00 N ATOM 0 H ARG A 59 9.326 -1.556 2.051 1.00 0.00 H new ATOM 0 HA ARG A 59 11.726 -1.046 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.551 -1.558 4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.421 -3.033 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.253 -4.070 4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.565 -2.570 5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.387 -2.633 6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.835 -3.938 5.840 1.00 0.00 H new ATOM 0 HE ARG A 59 11.185 -4.723 7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.701 -4.247 7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.659 -5.473 9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.979 -6.297 8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.416 -6.571 9.680 1.00 0.00 H new ATOM 900 N GLU A 60 11.528 -3.649 1.599 1.00 0.00 N ATOM 901 CA GLU A 60 12.290 -4.702 0.927 1.00 0.00 C ATOM 902 C GLU A 60 13.182 -4.166 -0.210 1.00 0.00 C ATOM 903 O GLU A 60 14.183 -4.795 -0.562 1.00 0.00 O ATOM 904 CB GLU A 60 11.357 -5.845 0.487 1.00 0.00 C ATOM 905 CG GLU A 60 10.513 -5.606 -0.776 1.00 0.00 C ATOM 906 CD GLU A 60 11.251 -6.048 -2.056 1.00 0.00 C ATOM 907 OE1 GLU A 60 11.355 -7.275 -2.307 1.00 0.00 O ATOM 908 OE2 GLU A 60 11.710 -5.180 -2.838 1.00 0.00 O ATOM 0 H GLU A 60 10.560 -3.585 1.284 1.00 0.00 H new ATOM 0 HA GLU A 60 12.992 -5.118 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.964 -6.736 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.679 -6.066 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.573 -6.152 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.262 -4.548 -0.849 1.00 0.00 H new ATOM 913 N ARG A 61 12.856 -2.973 -0.739 1.00 0.00 N ATOM 914 CA ARG A 61 13.665 -2.240 -1.729 1.00 0.00 C ATOM 915 C ARG A 61 14.965 -1.699 -1.123 1.00 0.00 C ATOM 916 O ARG A 61 15.984 -1.634 -1.816 1.00 0.00 O ATOM 917 CB ARG A 61 12.853 -1.094 -2.364 1.00 0.00 C ATOM 918 CG ARG A 61 11.599 -1.601 -3.099 1.00 0.00 C ATOM 919 CD ARG A 61 10.845 -0.502 -3.870 1.00 0.00 C ATOM 920 NE ARG A 61 11.582 0.062 -5.019 1.00 0.00 N ATOM 921 CZ ARG A 61 11.898 -0.529 -6.159 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.656 -1.788 -6.394 1.00 0.00 N ATOM 923 NH2 ARG A 61 12.463 0.144 -7.117 1.00 0.00 N ATOM 0 H ARG A 61 12.001 -2.480 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 61 13.936 -2.952 -2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.556 -0.389 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.486 -0.549 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.890 -2.387 -3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.922 -2.053 -2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.900 -0.911 -4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.602 0.306 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 61 11.886 1.031 -4.921 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.204 -2.362 -5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.919 -2.199 -7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.666 1.136 -6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.703 -0.320 -7.993 1.00 0.00 H new ATOM 934 N ARG A 62 14.942 -1.327 0.165 1.00 0.00 N ATOM 935 CA ARG A 62 16.068 -0.790 0.926 1.00 0.00 C ATOM 936 C ARG A 62 17.003 -1.880 1.472 1.00 0.00 C ATOM 937 O ARG A 62 18.207 -1.838 1.203 1.00 0.00 O ATOM 938 CB ARG A 62 15.441 0.045 2.046 1.00 0.00 C ATOM 939 CG ARG A 62 16.468 0.695 2.974 1.00 0.00 C ATOM 940 CD ARG A 62 16.022 0.506 4.420 1.00 0.00 C ATOM 941 NE ARG A 62 16.938 1.196 5.344 1.00 0.00 N ATOM 942 CZ ARG A 62 17.000 1.082 6.655 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.230 0.269 7.322 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.849 1.799 7.333 1.00 0.00 N ATOM 0 H ARG A 62 14.094 -1.398 0.727 1.00 0.00 H new ATOM 0 HA ARG A 62 16.714 -0.189 0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.820 0.824 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.782 -0.591 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.450 0.247 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.563 1.756 2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.011 0.893 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.989 -0.557 4.659 1.00 0.00 H new ATOM 0 HE ARG A 62 17.605 1.840 4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.549 -0.308 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.309 0.210 8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.467 2.450 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.896 1.710 8.348 1.00 0.00 H new ATOM 955 N ILE A 63 16.463 -2.780 2.306 1.00 0.00 N ATOM 956 CA ILE A 63 17.210 -3.689 3.206 1.00 0.00 C ATOM 957 C ILE A 63 18.206 -4.623 2.493 1.00 0.00 C ATOM 958 O ILE A 63 19.325 -4.799 3.028 1.00 0.00 O ATOM 959 CB ILE A 63 16.217 -4.417 4.144 1.00 0.00 C ATOM 960 CG1 ILE A 63 16.884 -5.022 5.400 1.00 0.00 C ATOM 961 CG2 ILE A 63 15.434 -5.513 3.406 1.00 0.00 C ATOM 962 CD1 ILE A 63 17.437 -3.964 6.365 1.00 0.00 C ATOM 963 OXT ILE A 63 17.894 -5.160 1.401 1.00 0.00 O ATOM 0 H ILE A 63 15.453 -2.905 2.380 1.00 0.00 H new ATOM 0 HA ILE A 63 17.870 -3.077 3.820 1.00 0.00 H new ATOM 0 HB ILE A 63 15.528 -3.641 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.157 -5.639 5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.696 -5.680 5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 63 14.748 -6.000 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 63 14.868 -5.068 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.130 -6.251 3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.891 -4.457 7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.188 -3.362 5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 63 16.625 -3.320 6.703 1.00 0.00 H new