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= 0.813 K(o=1.8,f=-2.8) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -167:sc= 0.953 (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= 1.23 (180deg=1.16) USER MOD Single : A 18 ASN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.86 K(o=-1.9,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.19) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00443) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -166:sc= -0.12 (180deg=-0.32) USER MOD Single : A 57 SER OG : rot 180:sc= 0.118 USER MOD Single : A 58 SER OG : rot -13:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.209 12.501 -4.749 1.00 0.00 N ATOM 35 CA LEU A 3 -9.107 12.785 -5.673 1.00 0.00 C ATOM 36 C LEU A 3 -9.413 12.443 -7.141 1.00 0.00 C ATOM 37 O LEU A 3 -10.440 11.846 -7.477 1.00 0.00 O ATOM 38 CB LEU A 3 -7.842 12.057 -5.166 1.00 0.00 C ATOM 39 CG LEU A 3 -7.294 12.594 -3.830 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.898 12.033 -3.564 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.173 14.115 -3.840 1.00 0.00 C ATOM 0 HA LEU A 3 -8.947 13.863 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.068 10.997 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.062 12.137 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.998 12.284 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.524 12.421 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.946 10.945 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.226 12.332 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.783 14.455 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.495 14.421 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.155 14.557 -4.010 1.00 0.00 H new ATOM 52 N THR A 4 -8.491 12.854 -8.014 1.00 0.00 N ATOM 53 CA THR A 4 -8.523 12.611 -9.472 1.00 0.00 C ATOM 54 C THR A 4 -8.184 11.155 -9.835 1.00 0.00 C ATOM 55 O THR A 4 -8.105 10.279 -8.969 1.00 0.00 O ATOM 56 CB THR A 4 -7.600 13.585 -10.231 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.258 13.366 -9.862 1.00 0.00 O ATOM 58 CG2 THR A 4 -7.955 15.052 -10.000 1.00 0.00 C ATOM 0 H THR A 4 -7.670 13.384 -7.723 1.00 0.00 H new ATOM 0 HA THR A 4 -9.550 12.795 -9.787 1.00 0.00 H new ATOM 0 HB THR A 4 -7.742 13.382 -11.292 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.679 13.988 -10.350 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.268 15.685 -10.562 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.976 15.237 -10.335 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.875 15.283 -8.938 1.00 0.00 H new ATOM 66 N GLN A 5 -7.963 10.885 -11.129 1.00 0.00 N ATOM 67 CA GLN A 5 -7.471 9.612 -11.669 1.00 0.00 C ATOM 68 C GLN A 5 -6.231 9.046 -10.952 1.00 0.00 C ATOM 69 O GLN A 5 -6.027 7.828 -10.957 1.00 0.00 O ATOM 70 CB GLN A 5 -7.212 9.772 -13.177 1.00 0.00 C ATOM 71 CG GLN A 5 -6.053 10.721 -13.533 1.00 0.00 C ATOM 72 CD GLN A 5 -5.866 10.844 -15.045 1.00 0.00 C ATOM 73 OE1 GLN A 5 -4.989 10.233 -15.646 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.669 11.639 -15.724 1.00 0.00 N ATOM 0 H GLN A 5 -8.130 11.578 -11.858 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.252 8.873 -11.489 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.004 8.790 -13.602 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.122 10.138 -13.651 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.246 11.706 -13.109 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.131 10.355 -13.081 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.404 12.155 -15.241 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.555 11.738 -16.733 1.00 0.00 H new ATOM 81 N GLY A 6 -5.420 9.899 -10.310 1.00 0.00 N ATOM 82 CA GLY A 6 -4.319 9.452 -9.470 1.00 0.00 C ATOM 83 C GLY A 6 -3.566 10.559 -8.738 1.00 0.00 C ATOM 84 O GLY A 6 -2.340 10.506 -8.715 1.00 0.00 O ATOM 0 H GLY A 6 -5.515 10.913 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.708 8.751 -8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.611 8.902 -10.090 1.00 0.00 H new ATOM 88 N GLU A 7 -4.237 11.531 -8.105 1.00 0.00 N ATOM 89 CA GLU A 7 -3.598 12.628 -7.370 1.00 0.00 C ATOM 90 C GLU A 7 -2.739 12.152 -6.186 1.00 0.00 C ATOM 91 O GLU A 7 -1.890 12.896 -5.706 1.00 0.00 O ATOM 92 CB GLU A 7 -4.668 13.643 -6.905 1.00 0.00 C ATOM 93 CG GLU A 7 -4.417 15.016 -7.532 1.00 0.00 C ATOM 94 CD GLU A 7 -5.317 16.129 -6.956 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.553 15.943 -6.853 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.791 17.224 -6.633 1.00 0.00 O ATOM 0 H GLU A 7 -5.256 11.577 -8.090 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.908 13.114 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.660 13.286 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.651 13.725 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.373 15.290 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.578 14.950 -8.608 1.00 0.00 H new ATOM 101 N LEU A 8 -2.895 10.897 -5.754 1.00 0.00 N ATOM 102 CA LEU A 8 -2.012 10.227 -4.793 1.00 0.00 C ATOM 103 C LEU A 8 -1.132 9.131 -5.442 1.00 0.00 C ATOM 104 O LEU A 8 -0.089 8.770 -4.902 1.00 0.00 O ATOM 105 CB LEU A 8 -2.883 9.745 -3.616 1.00 0.00 C ATOM 106 CG LEU A 8 -3.734 8.484 -3.891 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.056 7.272 -3.243 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.152 8.551 -3.318 1.00 0.00 C ATOM 0 H LEU A 8 -3.660 10.302 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.270 10.926 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.233 9.545 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.550 10.556 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.808 8.408 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.650 6.378 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.060 7.142 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.975 7.432 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.684 7.629 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.102 8.675 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.682 9.397 -3.756 1.00 0.00 H new ATOM 119 N MET A 9 -1.505 8.636 -6.628 1.00 0.00 N ATOM 120 CA MET A 9 -0.862 7.523 -7.343 1.00 0.00 C ATOM 121 C MET A 9 0.472 7.947 -7.951 1.00 0.00 C ATOM 122 O MET A 9 1.521 7.386 -7.640 1.00 0.00 O ATOM 123 CB MET A 9 -1.844 6.940 -8.390 1.00 0.00 C ATOM 124 CG MET A 9 -1.275 6.648 -9.780 1.00 0.00 C ATOM 125 SD MET A 9 -2.357 5.647 -10.836 1.00 0.00 S ATOM 126 CE MET A 9 -1.376 5.630 -12.361 1.00 0.00 C ATOM 0 H MET A 9 -2.300 9.017 -7.141 1.00 0.00 H new ATOM 0 HA MET A 9 -0.625 6.730 -6.634 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.257 6.014 -7.990 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.675 7.637 -8.502 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.071 7.594 -10.282 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.320 6.134 -9.668 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.899 5.052 -13.123 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.234 6.652 -12.714 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.405 5.176 -12.164 1.00 0.00 H new ATOM 134 N LYS A 10 0.447 8.962 -8.815 1.00 0.00 N ATOM 135 CA LYS A 10 1.610 9.419 -9.597 1.00 0.00 C ATOM 136 C LYS A 10 2.608 10.255 -8.762 1.00 0.00 C ATOM 137 O LYS A 10 3.432 10.986 -9.311 1.00 0.00 O ATOM 138 CB LYS A 10 1.069 10.107 -10.874 1.00 0.00 C ATOM 139 CG LYS A 10 0.231 11.371 -10.606 1.00 0.00 C ATOM 140 CD LYS A 10 -0.881 11.614 -11.633 1.00 0.00 C ATOM 141 CE LYS A 10 -1.447 13.026 -11.438 1.00 0.00 C ATOM 142 NZ LYS A 10 -2.469 13.352 -12.464 1.00 0.00 N ATOM 0 H LYS A 10 -0.397 9.505 -8.999 1.00 0.00 H new ATOM 0 HA LYS A 10 2.227 8.575 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.911 10.372 -11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.460 9.392 -11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.215 11.295 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.893 12.237 -10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.489 11.503 -12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.671 10.873 -11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.889 13.107 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.637 13.753 -11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.830 14.314 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.041 13.298 -13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.254 12.673 -12.400 1.00 0.00 H new ATOM 152 N LEU A 11 2.497 10.159 -7.430 1.00 0.00 N ATOM 153 CA LEU A 11 3.145 10.941 -6.374 1.00 0.00 C ATOM 154 C LEU A 11 3.864 10.017 -5.394 1.00 0.00 C ATOM 155 O LEU A 11 5.007 10.294 -5.031 1.00 0.00 O ATOM 156 CB LEU A 11 2.110 11.767 -5.576 1.00 0.00 C ATOM 157 CG LEU A 11 1.431 12.952 -6.276 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.458 13.954 -6.796 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.559 12.510 -7.444 1.00 0.00 C ATOM 0 H LEU A 11 1.883 9.453 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 11 3.855 11.611 -6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.328 11.086 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.605 12.148 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 11 0.802 13.422 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.944 14.781 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.048 14.336 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.117 13.462 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.100 13.384 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.172 11.990 -8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.221 11.840 -7.083 1.00 0.00 H new ATOM 170 N ILE A 12 3.231 8.908 -4.983 1.00 0.00 N ATOM 171 CA ILE A 12 3.844 8.005 -3.995 1.00 0.00 C ATOM 172 C ILE A 12 5.161 7.410 -4.504 1.00 0.00 C ATOM 173 O ILE A 12 6.124 7.294 -3.749 1.00 0.00 O ATOM 174 CB ILE A 12 2.884 6.882 -3.553 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.162 6.178 -4.723 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.840 7.410 -2.562 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.021 4.684 -4.430 1.00 0.00 C ATOM 0 H ILE A 12 2.310 8.617 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 12 4.063 8.619 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 12 3.519 6.137 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.178 6.622 -4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.722 6.324 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.176 6.598 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.343 7.806 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.258 8.201 -3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.511 4.197 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.010 4.243 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.442 4.545 -3.517 1.00 0.00 H new ATOM 188 N LYS A 13 5.249 7.106 -5.803 1.00 0.00 N ATOM 189 CA LYS A 13 6.483 6.574 -6.424 1.00 0.00 C ATOM 190 C LYS A 13 7.491 7.664 -6.805 1.00 0.00 C ATOM 191 O LYS A 13 8.674 7.401 -6.992 1.00 0.00 O ATOM 192 CB LYS A 13 6.112 5.658 -7.605 1.00 0.00 C ATOM 193 CG LYS A 13 5.295 6.302 -8.741 1.00 0.00 C ATOM 194 CD LYS A 13 6.146 6.989 -9.822 1.00 0.00 C ATOM 195 CE LYS A 13 5.236 7.563 -10.913 1.00 0.00 C ATOM 196 NZ LYS A 13 6.024 8.213 -11.987 1.00 0.00 N ATOM 0 H LYS A 13 4.475 7.218 -6.458 1.00 0.00 H new ATOM 0 HA LYS A 13 7.006 5.977 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.033 5.259 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.547 4.811 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.681 5.534 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.613 7.036 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.742 7.786 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.844 6.274 -10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.627 6.765 -11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.550 8.287 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.378 8.636 -12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.624 8.956 -11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.623 7.504 -12.456 1.00 0.00 H new ATOM 206 N GLU A 14 7.028 8.903 -6.886 1.00 0.00 N ATOM 207 CA GLU A 14 7.715 10.070 -7.452 1.00 0.00 C ATOM 208 C GLU A 14 8.401 10.916 -6.368 1.00 0.00 C ATOM 209 O GLU A 14 9.293 11.710 -6.670 1.00 0.00 O ATOM 210 CB GLU A 14 6.683 10.891 -8.248 1.00 0.00 C ATOM 211 CG GLU A 14 7.275 11.903 -9.239 1.00 0.00 C ATOM 212 CD GLU A 14 8.113 11.227 -10.342 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.579 10.347 -11.061 1.00 0.00 O ATOM 214 OE2 GLU A 14 9.306 11.578 -10.511 1.00 0.00 O ATOM 0 H GLU A 14 6.100 9.143 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 14 8.514 9.737 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.041 10.203 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.047 11.427 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.467 12.472 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.899 12.615 -8.698 1.00 0.00 H new ATOM 219 N ILE A 15 8.040 10.699 -5.095 1.00 0.00 N ATOM 220 CA ILE A 15 8.765 11.199 -3.930 1.00 0.00 C ATOM 221 C ILE A 15 9.590 10.061 -3.331 1.00 0.00 C ATOM 222 O ILE A 15 10.784 10.240 -3.121 1.00 0.00 O ATOM 223 CB ILE A 15 7.822 11.880 -2.912 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.839 10.905 -2.223 1.00 0.00 C ATOM 225 CG2 ILE A 15 7.051 13.033 -3.581 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.301 10.558 -0.806 1.00 0.00 C ATOM 0 H ILE A 15 7.213 10.156 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 15 9.454 11.986 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 15 8.463 12.273 -2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.846 11.353 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.754 9.993 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.392 13.502 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.757 13.772 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.457 12.642 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.589 9.871 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.283 10.087 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.361 11.468 -0.210 1.00 0.00 H new ATOM 237 N VAL A 16 9.022 8.866 -3.114 1.00 0.00 N ATOM 238 CA VAL A 16 9.741 7.808 -2.395 1.00 0.00 C ATOM 239 C VAL A 16 10.963 7.324 -3.178 1.00 0.00 C ATOM 240 O VAL A 16 12.011 7.065 -2.580 1.00 0.00 O ATOM 241 CB VAL A 16 8.835 6.621 -2.018 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.662 5.573 -1.273 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.703 7.039 -1.075 1.00 0.00 C ATOM 0 H VAL A 16 8.083 8.612 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 16 10.085 8.258 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 16 8.413 6.234 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.025 4.731 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.472 5.225 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.080 6.015 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.089 6.170 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.126 7.448 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.087 7.796 -1.560 1.00 0.00 H new ATOM 253 N GLU A 17 10.878 7.270 -4.513 1.00 0.00 N ATOM 254 CA GLU A 17 12.050 6.879 -5.327 1.00 0.00 C ATOM 255 C GLU A 17 13.022 8.050 -5.569 1.00 0.00 C ATOM 256 O GLU A 17 14.017 7.902 -6.286 1.00 0.00 O ATOM 257 CB GLU A 17 11.652 6.188 -6.643 1.00 0.00 C ATOM 258 CG GLU A 17 10.827 4.912 -6.412 1.00 0.00 C ATOM 259 CD GLU A 17 10.751 4.057 -7.688 1.00 0.00 C ATOM 260 OE1 GLU A 17 10.036 4.426 -8.651 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.409 2.988 -7.727 1.00 0.00 O ATOM 0 H GLU A 17 10.036 7.485 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 17 12.589 6.141 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.077 6.883 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.552 5.938 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.273 4.329 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.820 5.180 -6.091 1.00 0.00 H new ATOM 266 N ASN A 18 12.763 9.213 -4.961 1.00 0.00 N ATOM 267 CA ASN A 18 13.524 10.443 -5.097 1.00 0.00 C ATOM 268 C ASN A 18 14.140 10.950 -3.777 1.00 0.00 C ATOM 269 O ASN A 18 14.964 11.868 -3.809 1.00 0.00 O ATOM 270 CB ASN A 18 12.585 11.489 -5.727 1.00 0.00 C ATOM 271 CG ASN A 18 13.322 12.370 -6.707 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.526 13.561 -6.510 1.00 0.00 O ATOM 273 ND2 ASN A 18 13.743 11.787 -7.803 1.00 0.00 N ATOM 0 H ASN A 18 11.971 9.319 -4.327 1.00 0.00 H new ATOM 0 HA ASN A 18 14.388 10.253 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.764 10.984 -6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.144 12.104 -4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.248 12.327 -8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.565 10.794 -7.953 1.00 0.00 H new ATOM 279 N GLU A 19 13.773 10.368 -2.626 1.00 0.00 N ATOM 280 CA GLU A 19 14.192 10.838 -1.298 1.00 0.00 C ATOM 281 C GLU A 19 15.327 9.988 -0.716 1.00 0.00 C ATOM 282 O GLU A 19 16.498 10.363 -0.814 1.00 0.00 O ATOM 283 CB GLU A 19 12.982 10.893 -0.348 1.00 0.00 C ATOM 284 CG GLU A 19 11.926 11.962 -0.665 1.00 0.00 C ATOM 285 CD GLU A 19 12.320 13.402 -0.265 1.00 0.00 C ATOM 286 OE1 GLU A 19 13.508 13.795 -0.381 1.00 0.00 O ATOM 287 OE2 GLU A 19 11.424 14.179 0.151 1.00 0.00 O ATOM 0 H GLU A 19 13.169 9.547 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 19 14.590 11.847 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.496 9.917 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.348 11.061 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.718 11.941 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.999 11.699 -0.155 1.00 0.00 H new ATOM 292 N ASP A 20 14.997 8.847 -0.105 1.00 0.00 N ATOM 293 CA ASP A 20 15.936 7.995 0.622 1.00 0.00 C ATOM 294 C ASP A 20 15.666 6.510 0.341 1.00 0.00 C ATOM 295 O ASP A 20 15.022 5.805 1.120 1.00 0.00 O ATOM 296 CB ASP A 20 15.896 8.307 2.130 1.00 0.00 C ATOM 297 CG ASP A 20 16.534 9.658 2.480 1.00 0.00 C ATOM 298 OD1 ASP A 20 17.787 9.719 2.538 1.00 0.00 O ATOM 299 OD2 ASP A 20 15.802 10.644 2.739 1.00 0.00 O ATOM 0 H ASP A 20 14.044 8.483 -0.103 1.00 0.00 H new ATOM 0 HA ASP A 20 16.943 8.212 0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.860 8.302 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.413 7.516 2.673 1.00 0.00 H new ATOM 303 N LYS A 21 16.218 6.004 -0.765 1.00 0.00 N ATOM 304 CA LYS A 21 16.231 4.567 -1.102 1.00 0.00 C ATOM 305 C LYS A 21 16.918 3.698 -0.029 1.00 0.00 C ATOM 306 O LYS A 21 16.591 2.519 0.118 1.00 0.00 O ATOM 307 CB LYS A 21 16.891 4.369 -2.476 1.00 0.00 C ATOM 308 CG LYS A 21 16.085 5.007 -3.620 1.00 0.00 C ATOM 309 CD LYS A 21 16.742 4.716 -4.975 1.00 0.00 C ATOM 310 CE LYS A 21 15.948 5.389 -6.098 1.00 0.00 C ATOM 311 NZ LYS A 21 16.570 5.152 -7.426 1.00 0.00 N ATOM 0 H LYS A 21 16.677 6.585 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 21 15.195 4.230 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.892 4.799 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 21 17.006 3.302 -2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.066 4.620 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.017 6.084 -3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 21 17.769 5.081 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.785 3.640 -5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.927 5.008 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.888 6.461 -5.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.006 5.622 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.536 5.538 -7.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.604 4.130 -7.616 1.00 0.00 H new ATOM 321 N ARG A 22 17.830 4.296 0.752 1.00 0.00 N ATOM 322 CA ARG A 22 18.501 3.725 1.939 1.00 0.00 C ATOM 323 C ARG A 22 17.661 3.738 3.229 1.00 0.00 C ATOM 324 O ARG A 22 17.991 3.009 4.168 1.00 0.00 O ATOM 325 CB ARG A 22 19.854 4.435 2.173 1.00 0.00 C ATOM 326 CG ARG A 22 19.772 5.962 2.388 1.00 0.00 C ATOM 327 CD ARG A 22 20.126 6.747 1.116 1.00 0.00 C ATOM 328 NE ARG A 22 19.845 8.186 1.281 1.00 0.00 N ATOM 329 CZ ARG A 22 20.427 9.210 0.687 1.00 0.00 C ATOM 330 NH1 ARG A 22 21.409 9.078 -0.160 1.00 0.00 N ATOM 331 NH2 ARG A 22 20.005 10.409 0.951 1.00 0.00 N ATOM 0 H ARG A 22 18.141 5.249 0.564 1.00 0.00 H new ATOM 0 HA ARG A 22 18.654 2.671 1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.334 3.988 3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.500 4.240 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.765 6.228 2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.449 6.251 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 22 21.180 6.605 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.555 6.357 0.274 1.00 0.00 H new ATOM 0 HE ARG A 22 19.103 8.420 1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 22 21.762 8.149 -0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.824 9.903 -0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.236 10.546 1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.442 11.214 0.502 1.00 0.00 H new ATOM 342 N LYS A 23 16.582 4.532 3.288 1.00 0.00 N ATOM 343 CA LYS A 23 15.671 4.704 4.441 1.00 0.00 C ATOM 344 C LYS A 23 14.233 4.981 3.946 1.00 0.00 C ATOM 345 O LYS A 23 13.792 6.138 3.967 1.00 0.00 O ATOM 346 CB LYS A 23 16.170 5.841 5.365 1.00 0.00 C ATOM 347 CG LYS A 23 17.534 5.578 6.028 1.00 0.00 C ATOM 348 CD LYS A 23 17.930 6.685 7.015 1.00 0.00 C ATOM 349 CE LYS A 23 18.215 8.012 6.295 1.00 0.00 C ATOM 350 NZ LYS A 23 18.643 9.065 7.251 1.00 0.00 N ATOM 0 H LYS A 23 16.302 5.105 2.492 1.00 0.00 H new ATOM 0 HA LYS A 23 15.662 3.782 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.235 6.761 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.428 6.009 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.502 4.623 6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.299 5.493 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.130 6.829 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.814 6.376 7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.992 7.862 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.320 8.340 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.828 9.949 6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.891 9.224 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.510 8.760 7.737 1.00 0.00 H new ATOM 360 N PRO A 24 13.498 3.958 3.465 1.00 0.00 N ATOM 361 CA PRO A 24 12.203 4.145 2.809 1.00 0.00 C ATOM 362 C PRO A 24 11.101 4.607 3.781 1.00 0.00 C ATOM 363 O PRO A 24 11.212 4.450 5.003 1.00 0.00 O ATOM 364 CB PRO A 24 11.873 2.780 2.196 1.00 0.00 C ATOM 365 CG PRO A 24 12.549 1.798 3.149 1.00 0.00 C ATOM 366 CD PRO A 24 13.821 2.539 3.544 1.00 0.00 C ATOM 0 HA PRO A 24 12.254 4.936 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.797 2.612 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.262 2.689 1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.924 1.577 4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.768 0.847 2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.135 2.266 4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.643 2.288 2.874 1.00 0.00 H new ATOM 371 N TYR A 25 10.012 5.146 3.224 1.00 0.00 N ATOM 372 CA TYR A 25 8.754 5.416 3.935 1.00 0.00 C ATOM 373 C TYR A 25 7.918 4.123 4.080 1.00 0.00 C ATOM 374 O TYR A 25 8.358 3.027 3.717 1.00 0.00 O ATOM 375 CB TYR A 25 7.960 6.528 3.217 1.00 0.00 C ATOM 376 CG TYR A 25 8.690 7.847 3.026 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.639 7.996 1.995 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.403 8.936 3.870 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.303 9.220 1.805 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.090 10.158 3.710 1.00 0.00 C ATOM 381 CZ TYR A 25 10.043 10.301 2.676 1.00 0.00 C ATOM 382 OH TYR A 25 10.713 11.475 2.528 1.00 0.00 O ATOM 0 H TYR A 25 9.978 5.414 2.241 1.00 0.00 H new ATOM 0 HA TYR A 25 8.988 5.768 4.940 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.657 6.157 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.047 6.718 3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.858 7.162 1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.655 8.836 4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.009 9.334 0.996 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.888 10.983 4.377 1.00 0.00 H new ATOM 0 HH TYR A 25 10.412 12.112 3.209 1.00 0.00 H new ATOM 391 N SER A 26 6.688 4.246 4.581 1.00 0.00 N ATOM 392 CA SER A 26 5.685 3.172 4.627 1.00 0.00 C ATOM 393 C SER A 26 4.307 3.692 4.252 1.00 0.00 C ATOM 394 O SER A 26 4.117 4.903 4.179 1.00 0.00 O ATOM 395 CB SER A 26 5.681 2.490 5.997 1.00 0.00 C ATOM 396 OG SER A 26 5.499 3.387 7.083 1.00 0.00 O ATOM 0 H SER A 26 6.348 5.121 4.979 1.00 0.00 H new ATOM 0 HA SER A 26 5.957 2.420 3.887 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.888 1.743 6.018 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.623 1.959 6.131 1.00 0.00 H new ATOM 0 HG SER A 26 5.505 2.886 7.925 1.00 0.00 H new ATOM 401 N ASP A 27 3.338 2.807 4.013 1.00 0.00 N ATOM 402 CA ASP A 27 1.945 3.174 3.731 1.00 0.00 C ATOM 403 C ASP A 27 1.332 4.131 4.782 1.00 0.00 C ATOM 404 O ASP A 27 0.562 5.025 4.442 1.00 0.00 O ATOM 405 CB ASP A 27 1.101 1.913 3.473 1.00 0.00 C ATOM 406 CG ASP A 27 1.019 0.885 4.619 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.468 1.156 5.756 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.395 -0.183 4.405 1.00 0.00 O ATOM 0 H ASP A 27 3.499 1.800 4.009 1.00 0.00 H new ATOM 0 HA ASP A 27 1.939 3.762 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.087 2.228 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.502 1.410 2.593 1.00 0.00 H new ATOM 412 N GLN A 28 1.754 4.050 6.044 1.00 0.00 N ATOM 413 CA GLN A 28 1.515 5.053 7.077 1.00 0.00 C ATOM 414 C GLN A 28 2.116 6.389 6.658 1.00 0.00 C ATOM 415 O GLN A 28 1.415 7.378 6.459 1.00 0.00 O ATOM 416 CB GLN A 28 2.173 4.526 8.356 1.00 0.00 C ATOM 417 CG GLN A 28 2.094 5.366 9.636 1.00 0.00 C ATOM 418 CD GLN A 28 2.719 6.767 9.693 1.00 0.00 C ATOM 419 OE1 GLN A 28 3.801 6.958 10.232 1.00 0.00 O ATOM 420 NE2 GLN A 28 2.083 7.819 9.215 1.00 0.00 N ATOM 0 H GLN A 28 2.292 3.253 6.386 1.00 0.00 H new ATOM 0 HA GLN A 28 0.450 5.220 7.236 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.734 3.553 8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.228 4.358 8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.038 5.475 9.883 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.549 4.779 10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.178 7.704 8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.496 8.748 9.302 1.00 0.00 H new ATOM 427 N GLU A 29 3.440 6.433 6.609 1.00 0.00 N ATOM 428 CA GLU A 29 4.209 7.648 6.428 1.00 0.00 C ATOM 429 C GLU A 29 3.844 8.397 5.144 1.00 0.00 C ATOM 430 O GLU A 29 3.531 9.585 5.219 1.00 0.00 O ATOM 431 CB GLU A 29 5.701 7.328 6.512 1.00 0.00 C ATOM 432 CG GLU A 29 6.166 7.008 7.936 1.00 0.00 C ATOM 433 CD GLU A 29 7.702 6.990 8.035 1.00 0.00 C ATOM 434 OE1 GLU A 29 8.344 6.073 7.469 1.00 0.00 O ATOM 435 OE2 GLU A 29 8.280 7.900 8.681 1.00 0.00 O ATOM 0 H GLU A 29 4.021 5.599 6.697 1.00 0.00 H new ATOM 0 HA GLU A 29 3.955 8.333 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.922 6.479 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.271 8.176 6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.764 7.749 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.769 6.040 8.241 1.00 0.00 H new ATOM 440 N ILE A 30 3.791 7.725 3.990 1.00 0.00 N ATOM 441 CA ILE A 30 3.333 8.341 2.736 1.00 0.00 C ATOM 442 C ILE A 30 1.902 8.867 2.841 1.00 0.00 C ATOM 443 O ILE A 30 1.646 9.967 2.355 1.00 0.00 O ATOM 444 CB ILE A 30 3.550 7.438 1.504 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.629 6.204 1.499 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.037 7.068 1.401 1.00 0.00 C ATOM 447 CD1 ILE A 30 2.978 5.125 0.464 1.00 0.00 C ATOM 0 H ILE A 30 4.062 6.746 3.896 1.00 0.00 H new ATOM 0 HA ILE A 30 3.971 9.210 2.574 1.00 0.00 H new ATOM 0 HB ILE A 30 3.269 7.998 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.650 5.752 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.606 6.536 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.194 6.430 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.631 7.976 1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.343 6.535 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.269 4.301 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.926 5.552 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.987 4.755 0.650 1.00 0.00 H new ATOM 458 N ALA A 31 0.991 8.185 3.547 1.00 0.00 N ATOM 459 CA ALA A 31 -0.364 8.715 3.745 1.00 0.00 C ATOM 460 C ALA A 31 -0.356 10.021 4.564 1.00 0.00 C ATOM 461 O ALA A 31 -1.152 10.931 4.316 1.00 0.00 O ATOM 462 CB ALA A 31 -1.223 7.654 4.441 1.00 0.00 C ATOM 0 H ALA A 31 1.163 7.280 3.984 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.786 8.952 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.230 8.042 4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.268 6.758 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.783 7.406 5.407 1.00 0.00 H new ATOM 468 N ASN A 32 0.565 10.134 5.525 1.00 0.00 N ATOM 469 CA ASN A 32 0.707 11.297 6.392 1.00 0.00 C ATOM 470 C ASN A 32 1.189 12.540 5.636 1.00 0.00 C ATOM 471 O ASN A 32 0.548 13.584 5.708 1.00 0.00 O ATOM 472 CB ASN A 32 1.641 10.948 7.552 1.00 0.00 C ATOM 473 CG ASN A 32 1.688 12.052 8.592 1.00 0.00 C ATOM 474 OD1 ASN A 32 0.738 12.276 9.330 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.781 12.774 8.694 1.00 0.00 N ATOM 0 H ASN A 32 1.246 9.401 5.723 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.277 11.553 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.308 10.022 8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.645 10.768 7.168 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.837 13.520 9.388 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.574 12.589 8.080 1.00 0.00 H new ATOM 481 N ILE A 33 2.300 12.452 4.904 1.00 0.00 N ATOM 482 CA ILE A 33 2.881 13.615 4.196 1.00 0.00 C ATOM 483 C ILE A 33 1.935 14.147 3.112 1.00 0.00 C ATOM 484 O ILE A 33 1.848 15.352 2.874 1.00 0.00 O ATOM 485 CB ILE A 33 4.233 13.246 3.562 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.199 12.600 4.579 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.932 14.445 2.905 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.717 11.298 3.985 1.00 0.00 C ATOM 0 H ILE A 33 2.825 11.586 4.780 1.00 0.00 H new ATOM 0 HA ILE A 33 3.032 14.400 4.937 1.00 0.00 H new ATOM 0 HB ILE A 33 3.990 12.520 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.027 13.274 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.686 12.410 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.880 14.123 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.296 14.850 2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.116 15.214 3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.402 10.825 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.879 10.629 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.241 11.507 3.052 1.00 0.00 H new ATOM 499 N LEU A 34 1.164 13.252 2.491 1.00 0.00 N ATOM 500 CA LEU A 34 0.132 13.564 1.499 1.00 0.00 C ATOM 501 C LEU A 34 -1.013 14.393 2.092 1.00 0.00 C ATOM 502 O LEU A 34 -1.670 15.150 1.369 1.00 0.00 O ATOM 503 CB LEU A 34 -0.365 12.237 0.894 1.00 0.00 C ATOM 504 CG LEU A 34 0.397 11.768 -0.364 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.910 12.011 -0.323 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.131 10.282 -0.611 1.00 0.00 C ATOM 0 H LEU A 34 1.244 12.251 2.672 1.00 0.00 H new ATOM 0 HA LEU A 34 0.559 14.188 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.294 11.459 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.420 12.342 0.643 1.00 0.00 H new ATOM 0 HG LEU A 34 0.013 12.379 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.362 11.650 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.104 13.078 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.341 11.477 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.672 9.958 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.468 9.704 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.937 10.123 -0.758 1.00 0.00 H new ATOM 517 N LYS A 35 -1.207 14.330 3.410 1.00 0.00 N ATOM 518 CA LYS A 35 -2.223 15.141 4.103 1.00 0.00 C ATOM 519 C LYS A 35 -1.752 16.579 4.356 1.00 0.00 C ATOM 520 O LYS A 35 -2.573 17.450 4.642 1.00 0.00 O ATOM 521 CB LYS A 35 -2.685 14.404 5.379 1.00 0.00 C ATOM 522 CG LYS A 35 -2.102 14.973 6.685 1.00 0.00 C ATOM 523 CD LYS A 35 -2.202 13.975 7.839 1.00 0.00 C ATOM 524 CE LYS A 35 -1.705 14.634 9.129 1.00 0.00 C ATOM 525 NZ LYS A 35 -1.607 13.655 10.239 1.00 0.00 N ATOM 0 H LYS A 35 -0.671 13.721 4.029 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.092 15.254 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.773 14.443 5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.407 13.353 5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.058 15.243 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.632 15.888 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.234 13.646 7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.608 13.088 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.729 15.086 8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.383 15.439 9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.484 14.162 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.477 13.086 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.791 13.030 10.079 1.00 0.00 H new ATOM 535 N GLU A 36 -0.445 16.838 4.241 1.00 0.00 N ATOM 536 CA GLU A 36 0.150 18.152 4.514 1.00 0.00 C ATOM 537 C GLU A 36 0.108 19.072 3.288 1.00 0.00 C ATOM 538 O GLU A 36 0.333 20.279 3.428 1.00 0.00 O ATOM 539 CB GLU A 36 1.602 18.006 5.007 1.00 0.00 C ATOM 540 CG GLU A 36 1.725 17.146 6.273 1.00 0.00 C ATOM 541 CD GLU A 36 3.142 17.243 6.867 1.00 0.00 C ATOM 542 OE1 GLU A 36 4.058 16.521 6.402 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.353 18.048 7.809 1.00 0.00 O ATOM 0 H GLU A 36 0.236 16.135 3.953 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.451 18.612 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.206 17.564 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.013 18.996 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.993 17.473 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.496 16.107 6.036 1.00 0.00 H new ATOM 548 N LYS A 37 -0.188 18.528 2.094 1.00 0.00 N ATOM 549 CA LYS A 37 -0.103 19.268 0.823 1.00 0.00 C ATOM 550 C LYS A 37 -1.371 19.230 -0.037 1.00 0.00 C ATOM 551 O LYS A 37 -1.592 20.184 -0.787 1.00 0.00 O ATOM 552 CB LYS A 37 1.168 18.843 0.081 1.00 0.00 C ATOM 553 CG LYS A 37 1.211 17.337 -0.219 1.00 0.00 C ATOM 554 CD LYS A 37 2.581 16.926 -0.772 1.00 0.00 C ATOM 555 CE LYS A 37 3.575 16.834 0.387 1.00 0.00 C ATOM 556 NZ LYS A 37 4.971 16.687 -0.099 1.00 0.00 N ATOM 0 H LYS A 37 -0.493 17.561 1.984 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.030 20.329 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.238 19.397 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.039 19.114 0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.998 16.775 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.433 17.084 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.509 15.966 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.925 17.654 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.497 17.728 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.318 15.985 1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.617 16.628 0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.051 15.821 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.224 17.510 -0.683 1.00 0.00 H new ATOM 566 N GLY A 38 -2.258 18.242 0.139 1.00 0.00 N ATOM 567 CA GLY A 38 -3.683 18.451 -0.154 1.00 0.00 C ATOM 568 C GLY A 38 -4.503 17.192 -0.413 1.00 0.00 C ATOM 569 O GLY A 38 -5.690 17.296 -0.737 1.00 0.00 O ATOM 0 H GLY A 38 -2.022 17.309 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.131 18.987 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.763 19.099 -1.027 1.00 0.00 H new ATOM 573 N PHE A 39 -3.895 16.008 -0.305 1.00 0.00 N ATOM 574 CA PHE A 39 -4.499 14.769 -0.784 1.00 0.00 C ATOM 575 C PHE A 39 -5.362 14.067 0.266 1.00 0.00 C ATOM 576 O PHE A 39 -6.232 13.271 -0.097 1.00 0.00 O ATOM 577 CB PHE A 39 -3.397 13.834 -1.284 1.00 0.00 C ATOM 578 CG PHE A 39 -2.474 14.489 -2.285 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.962 14.835 -3.557 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.155 14.814 -1.925 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.133 15.506 -4.469 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.319 15.454 -2.853 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.804 15.810 -4.123 1.00 0.00 C ATOM 0 H PHE A 39 -2.974 15.885 0.116 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.174 15.031 -1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.812 13.484 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.853 12.955 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.976 14.584 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.786 14.572 -0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.516 15.789 -5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.705 15.675 -2.589 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.160 16.314 -4.829 1.00 0.00 H new ATOM 592 N LYS A 40 -5.109 14.374 1.550 1.00 0.00 N ATOM 593 CA LYS A 40 -5.692 13.835 2.795 1.00 0.00 C ATOM 594 C LYS A 40 -6.037 12.340 2.764 1.00 0.00 C ATOM 595 O LYS A 40 -6.975 11.911 3.436 1.00 0.00 O ATOM 596 CB LYS A 40 -6.829 14.760 3.288 1.00 0.00 C ATOM 597 CG LYS A 40 -7.932 15.073 2.256 1.00 0.00 C ATOM 598 CD LYS A 40 -9.374 15.000 2.784 1.00 0.00 C ATOM 599 CE LYS A 40 -10.003 13.620 2.533 1.00 0.00 C ATOM 600 NZ LYS A 40 -9.669 12.630 3.584 1.00 0.00 N ATOM 0 H LYS A 40 -4.412 15.087 1.767 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.907 13.850 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.293 14.301 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.389 15.701 3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.760 16.073 1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.833 14.377 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.381 15.214 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.978 15.768 2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.086 13.726 2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.666 13.244 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.251 11.778 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.663 12.376 3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.859 13.041 4.521 1.00 0.00 H new ATOM 610 N VAL A 41 -5.297 11.544 1.988 1.00 0.00 N ATOM 611 CA VAL A 41 -5.616 10.127 1.754 1.00 0.00 C ATOM 612 C VAL A 41 -5.068 9.285 2.919 1.00 0.00 C ATOM 613 O VAL A 41 -3.963 9.515 3.419 1.00 0.00 O ATOM 614 CB VAL A 41 -5.169 9.625 0.363 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.694 9.972 0.102 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.285 8.104 0.240 1.00 0.00 C ATOM 0 H VAL A 41 -4.458 11.861 1.502 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.700 10.013 1.734 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.826 10.115 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.403 9.608 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.562 11.053 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.070 9.501 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.961 7.794 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.655 7.629 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.322 7.805 0.393 1.00 0.00 H new ATOM 626 N ALA A 42 -5.849 8.313 3.372 1.00 0.00 N ATOM 627 CA ALA A 42 -5.570 7.378 4.444 1.00 0.00 C ATOM 628 C ALA A 42 -4.628 6.246 3.998 1.00 0.00 C ATOM 629 O ALA A 42 -4.539 5.884 2.817 1.00 0.00 O ATOM 630 CB ALA A 42 -6.909 6.805 4.930 1.00 0.00 C ATOM 0 H ALA A 42 -6.769 8.148 2.962 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.058 7.903 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.730 6.097 5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.542 7.616 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.408 6.296 4.105 1.00 0.00 H new ATOM 636 N ARG A 43 -3.994 5.598 4.978 1.00 0.00 N ATOM 637 CA ARG A 43 -3.094 4.449 4.793 1.00 0.00 C ATOM 638 C ARG A 43 -3.747 3.272 4.064 1.00 0.00 C ATOM 639 O ARG A 43 -3.070 2.547 3.343 1.00 0.00 O ATOM 640 CB ARG A 43 -2.490 4.067 6.160 1.00 0.00 C ATOM 641 CG ARG A 43 -1.649 2.775 6.142 1.00 0.00 C ATOM 642 CD ARG A 43 -2.476 1.538 6.520 1.00 0.00 C ATOM 643 NE ARG A 43 -1.909 0.312 5.941 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.482 -0.863 5.800 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.615 -1.155 6.364 1.00 0.00 N ATOM 646 NH2 ARG A 43 -1.892 -1.763 5.073 1.00 0.00 N ATOM 0 H ARG A 43 -4.094 5.865 5.957 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.286 4.743 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.865 4.889 6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.298 3.951 6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.223 2.635 5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.814 2.877 6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.516 1.444 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.501 1.665 6.173 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.948 0.381 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.092 -0.461 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.028 -2.078 6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.001 -1.552 4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.320 -2.681 4.951 1.00 0.00 H new ATOM 657 N ARG A 44 -5.064 3.091 4.200 1.00 0.00 N ATOM 658 CA ARG A 44 -5.814 1.954 3.641 1.00 0.00 C ATOM 659 C ARG A 44 -5.856 2.000 2.115 1.00 0.00 C ATOM 660 O ARG A 44 -5.860 0.963 1.455 1.00 0.00 O ATOM 661 CB ARG A 44 -7.236 1.946 4.234 1.00 0.00 C ATOM 662 CG ARG A 44 -7.366 0.973 5.419 1.00 0.00 C ATOM 663 CD ARG A 44 -6.598 1.358 6.694 1.00 0.00 C ATOM 664 NE ARG A 44 -7.251 2.442 7.458 1.00 0.00 N ATOM 665 CZ ARG A 44 -7.463 2.490 8.764 1.00 0.00 C ATOM 666 NH1 ARG A 44 -7.098 1.560 9.598 1.00 0.00 N ATOM 667 NH2 ARG A 44 -8.076 3.494 9.303 1.00 0.00 N ATOM 0 H ARG A 44 -5.655 3.744 4.713 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.303 1.030 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.497 2.952 4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.950 1.669 3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.422 0.876 5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.024 -0.010 5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.501 0.479 7.332 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.589 1.669 6.423 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.575 3.244 6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.616 0.729 9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.294 1.662 10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.404 4.264 8.720 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.231 3.515 10.311 1.00 0.00 H new ATOM 678 N THR A 45 -5.867 3.208 1.562 1.00 0.00 N ATOM 679 CA THR A 45 -5.956 3.547 0.156 1.00 0.00 C ATOM 680 C THR A 45 -4.573 3.568 -0.462 1.00 0.00 C ATOM 681 O THR A 45 -4.325 2.963 -1.505 1.00 0.00 O ATOM 682 CB THR A 45 -6.525 4.966 0.063 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.585 5.171 0.977 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.982 5.273 -1.350 1.00 0.00 C ATOM 0 H THR A 45 -5.808 4.045 2.142 1.00 0.00 H new ATOM 0 HA THR A 45 -6.579 2.818 -0.362 1.00 0.00 H new ATOM 0 HB THR A 45 -5.721 5.652 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.920 6.088 0.889 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.382 6.286 -1.391 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.136 5.189 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.757 4.565 -1.644 1.00 0.00 H new ATOM 692 N VAL A 46 -3.651 4.259 0.214 1.00 0.00 N ATOM 693 CA VAL A 46 -2.300 4.481 -0.274 1.00 0.00 C ATOM 694 C VAL A 46 -1.524 3.161 -0.371 1.00 0.00 C ATOM 695 O VAL A 46 -0.679 2.979 -1.250 1.00 0.00 O ATOM 696 CB VAL A 46 -1.594 5.530 0.608 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.730 4.929 1.711 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.690 6.432 -0.228 1.00 0.00 C ATOM 0 H VAL A 46 -3.830 4.682 1.125 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.341 4.880 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.407 6.091 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.267 5.730 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.351 4.320 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.047 4.307 1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.205 7.162 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.069 5.827 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.287 6.952 -0.977 1.00 0.00 H new ATOM 708 N ALA A 47 -1.865 2.207 0.508 1.00 0.00 N ATOM 709 CA ALA A 47 -1.297 0.872 0.557 1.00 0.00 C ATOM 710 C ALA A 47 -1.669 0.071 -0.691 1.00 0.00 C ATOM 711 O ALA A 47 -0.849 -0.672 -1.229 1.00 0.00 O ATOM 712 CB ALA A 47 -1.817 0.155 1.807 1.00 0.00 C ATOM 0 H ALA A 47 -2.572 2.361 1.227 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.211 0.953 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.395 -0.849 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.522 0.713 2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.904 0.090 1.764 1.00 0.00 H new ATOM 718 N LYS A 48 -2.901 0.246 -1.177 1.00 0.00 N ATOM 719 CA LYS A 48 -3.427 -0.431 -2.362 1.00 0.00 C ATOM 720 C LYS A 48 -2.866 0.155 -3.665 1.00 0.00 C ATOM 721 O LYS A 48 -2.908 -0.506 -4.703 1.00 0.00 O ATOM 722 CB LYS A 48 -4.961 -0.362 -2.302 1.00 0.00 C ATOM 723 CG LYS A 48 -5.505 -1.260 -1.177 1.00 0.00 C ATOM 724 CD LYS A 48 -7.028 -1.122 -1.016 1.00 0.00 C ATOM 725 CE LYS A 48 -7.529 -1.822 0.254 1.00 0.00 C ATOM 726 NZ LYS A 48 -7.296 -3.291 0.215 1.00 0.00 N ATOM 0 H LYS A 48 -3.575 0.878 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.107 -1.473 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.277 0.668 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.381 -0.674 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.256 -2.299 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.016 -1.001 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.296 -0.066 -0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.526 -1.548 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.025 -1.399 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.594 -1.628 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.680 -3.726 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.770 -3.696 -0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.275 -3.479 0.158 1.00 0.00 H new ATOM 736 N TYR A 49 -2.310 1.367 -3.611 1.00 0.00 N ATOM 737 CA TYR A 49 -1.763 2.079 -4.766 1.00 0.00 C ATOM 738 C TYR A 49 -0.317 1.699 -5.058 1.00 0.00 C ATOM 739 O TYR A 49 -0.016 1.302 -6.185 1.00 0.00 O ATOM 740 CB TYR A 49 -1.946 3.593 -4.600 1.00 0.00 C ATOM 741 CG TYR A 49 -3.292 4.075 -5.116 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.451 3.275 -5.044 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.346 5.310 -5.781 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.631 3.681 -5.697 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.522 5.734 -6.423 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.659 4.903 -6.405 1.00 0.00 C ATOM 747 OH TYR A 49 -6.791 5.315 -7.025 1.00 0.00 O ATOM 0 H TYR A 49 -2.226 1.893 -2.741 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.330 1.767 -5.643 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.849 3.854 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.149 4.113 -5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.434 2.350 -4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.471 5.943 -5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.513 3.059 -5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.554 6.689 -6.926 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.630 6.177 -7.462 1.00 0.00 H new ATOM 756 N ARG A 50 0.571 1.725 -4.055 1.00 0.00 N ATOM 757 CA ARG A 50 1.968 1.273 -4.235 1.00 0.00 C ATOM 758 C ARG A 50 2.071 -0.154 -4.787 1.00 0.00 C ATOM 759 O ARG A 50 3.042 -0.473 -5.471 1.00 0.00 O ATOM 760 CB ARG A 50 2.783 1.485 -2.943 1.00 0.00 C ATOM 761 CG ARG A 50 2.307 0.694 -1.715 1.00 0.00 C ATOM 762 CD ARG A 50 3.293 -0.382 -1.235 1.00 0.00 C ATOM 763 NE ARG A 50 3.211 -1.658 -1.979 1.00 0.00 N ATOM 764 CZ ARG A 50 2.375 -2.646 -1.710 1.00 0.00 C ATOM 765 NH1 ARG A 50 1.292 -2.457 -1.025 1.00 0.00 N ATOM 766 NH2 ARG A 50 2.609 -3.856 -2.118 1.00 0.00 N ATOM 0 H ARG A 50 0.354 2.051 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 50 2.416 1.900 -5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.821 1.219 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.768 2.547 -2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.122 1.391 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.355 0.219 -1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.307 0.009 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.112 -0.579 -0.178 1.00 0.00 H new ATOM 0 HE ARG A 50 3.851 -1.786 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.065 -1.526 -0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.666 -3.240 -0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.451 -4.059 -2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.951 -4.604 -1.900 1.00 0.00 H new ATOM 777 N GLU A 51 1.029 -0.963 -4.587 1.00 0.00 N ATOM 778 CA GLU A 51 0.909 -2.329 -5.115 1.00 0.00 C ATOM 779 C GLU A 51 0.744 -2.359 -6.646 1.00 0.00 C ATOM 780 O GLU A 51 1.384 -3.169 -7.321 1.00 0.00 O ATOM 781 CB GLU A 51 -0.269 -3.025 -4.405 1.00 0.00 C ATOM 782 CG GLU A 51 -0.265 -4.559 -4.492 1.00 0.00 C ATOM 783 CD GLU A 51 -0.697 -5.126 -5.861 1.00 0.00 C ATOM 784 OE1 GLU A 51 -1.729 -4.683 -6.420 1.00 0.00 O ATOM 785 OE2 GLU A 51 -0.035 -6.069 -6.366 1.00 0.00 O ATOM 0 H GLU A 51 0.219 -0.680 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 51 1.835 -2.867 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.262 -2.736 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.201 -2.654 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.738 -4.920 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.929 -4.955 -3.724 1.00 0.00 H new ATOM 790 N MET A 52 -0.098 -1.480 -7.205 1.00 0.00 N ATOM 791 CA MET A 52 -0.458 -1.475 -8.633 1.00 0.00 C ATOM 792 C MET A 52 0.500 -0.658 -9.519 1.00 0.00 C ATOM 793 O MET A 52 0.653 -0.975 -10.701 1.00 0.00 O ATOM 794 CB MET A 52 -1.920 -1.031 -8.828 1.00 0.00 C ATOM 795 CG MET A 52 -2.166 0.459 -8.564 1.00 0.00 C ATOM 796 SD MET A 52 -3.863 1.012 -8.873 1.00 0.00 S ATOM 797 CE MET A 52 -3.614 2.795 -8.650 1.00 0.00 C ATOM 0 H MET A 52 -0.556 -0.741 -6.672 1.00 0.00 H new ATOM 0 HA MET A 52 -0.354 -2.506 -8.971 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.225 -1.263 -9.848 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.557 -1.616 -8.164 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.910 0.677 -7.527 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.489 1.041 -9.189 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.581 3.288 -8.554 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.026 2.970 -7.749 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.085 3.199 -9.513 1.00 0.00 H new ATOM 805 N LEU A 53 1.153 0.376 -8.972 1.00 0.00 N ATOM 806 CA LEU A 53 2.140 1.202 -9.682 1.00 0.00 C ATOM 807 C LEU A 53 3.428 0.419 -9.978 1.00 0.00 C ATOM 808 O LEU A 53 3.793 0.245 -11.144 1.00 0.00 O ATOM 809 CB LEU A 53 2.400 2.483 -8.871 1.00 0.00 C ATOM 810 CG LEU A 53 1.322 3.546 -9.154 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.830 4.173 -7.853 1.00 0.00 C ATOM 812 CD2 LEU A 53 1.933 4.614 -10.056 1.00 0.00 C ATOM 0 H LEU A 53 1.008 0.668 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 53 1.740 1.486 -10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.412 2.247 -7.807 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.383 2.882 -9.121 1.00 0.00 H new ATOM 0 HG LEU A 53 0.466 3.083 -9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.069 4.921 -8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.403 3.399 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.666 4.647 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.187 5.379 -10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.786 5.070 -9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.263 4.157 -10.989 1.00 0.00 H new ATOM 823 N GLY A 54 4.097 -0.083 -8.936 1.00 0.00 N ATOM 824 CA GLY A 54 5.222 -1.017 -9.093 1.00 0.00 C ATOM 825 C GLY A 54 6.069 -1.350 -7.858 1.00 0.00 C ATOM 826 O GLY A 54 7.083 -2.040 -8.004 1.00 0.00 O ATOM 0 H GLY A 54 3.878 0.143 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.825 -1.953 -9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.889 -0.610 -9.853 1.00 0.00 H new ATOM 830 N ILE A 55 5.723 -0.867 -6.659 1.00 0.00 N ATOM 831 CA ILE A 55 6.539 -1.015 -5.444 1.00 0.00 C ATOM 832 C ILE A 55 6.140 -2.284 -4.659 1.00 0.00 C ATOM 833 O ILE A 55 4.986 -2.408 -4.232 1.00 0.00 O ATOM 834 CB ILE A 55 6.456 0.266 -4.589 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.232 1.399 -5.298 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.043 0.058 -3.180 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.745 2.797 -4.900 1.00 0.00 C ATOM 0 H ILE A 55 4.855 -0.354 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 55 7.583 -1.147 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 55 5.404 0.527 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.292 1.309 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.134 1.279 -6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.964 0.985 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.490 -0.729 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.091 -0.229 -3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.328 3.550 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.692 2.903 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.868 2.933 -3.826 1.00 0.00 H new ATOM 848 N PRO A 56 7.077 -3.227 -4.422 1.00 0.00 N ATOM 849 CA PRO A 56 6.809 -4.459 -3.683 1.00 0.00 C ATOM 850 C PRO A 56 6.500 -4.139 -2.212 1.00 0.00 C ATOM 851 O PRO A 56 5.398 -4.415 -1.740 1.00 0.00 O ATOM 852 CB PRO A 56 8.042 -5.341 -3.899 1.00 0.00 C ATOM 853 CG PRO A 56 9.177 -4.360 -4.195 1.00 0.00 C ATOM 854 CD PRO A 56 8.484 -3.127 -4.778 1.00 0.00 C ATOM 0 HA PRO A 56 5.925 -4.993 -4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.259 -5.941 -3.015 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.892 -6.034 -4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.731 -4.112 -3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.892 -4.783 -4.901 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.920 -2.212 -4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.607 -3.090 -5.860 1.00 0.00 H new ATOM 859 N SER A 57 7.433 -3.479 -1.522 1.00 0.00 N ATOM 860 CA SER A 57 7.188 -2.726 -0.276 1.00 0.00 C ATOM 861 C SER A 57 8.136 -1.535 -0.049 1.00 0.00 C ATOM 862 O SER A 57 7.965 -0.747 0.881 1.00 0.00 O ATOM 863 CB SER A 57 7.286 -3.663 0.931 1.00 0.00 C ATOM 864 OG SER A 57 8.630 -4.061 1.160 1.00 0.00 O ATOM 0 H SER A 57 8.409 -3.449 -1.817 1.00 0.00 H new ATOM 0 HA SER A 57 6.185 -2.313 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.896 -3.162 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.666 -4.544 0.763 1.00 0.00 H new ATOM 0 HG SER A 57 8.667 -4.657 1.937 1.00 0.00 H new ATOM 869 N SER A 58 9.178 -1.406 -0.876 1.00 0.00 N ATOM 870 CA SER A 58 10.377 -0.553 -0.732 1.00 0.00 C ATOM 871 C SER A 58 11.259 -0.824 0.502 1.00 0.00 C ATOM 872 O SER A 58 12.440 -0.471 0.482 1.00 0.00 O ATOM 873 CB SER A 58 10.052 0.940 -0.903 1.00 0.00 C ATOM 874 OG SER A 58 9.303 1.457 0.181 1.00 0.00 O ATOM 0 H SER A 58 9.214 -1.941 -1.744 1.00 0.00 H new ATOM 0 HA SER A 58 11.010 -0.860 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.981 1.502 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.494 1.084 -1.828 1.00 0.00 H new ATOM 0 HG SER A 58 8.957 0.717 0.722 1.00 0.00 H new ATOM 879 N ARG A 59 10.764 -1.549 1.518 1.00 0.00 N ATOM 880 CA ARG A 59 11.550 -2.102 2.630 1.00 0.00 C ATOM 881 C ARG A 59 12.402 -3.253 2.121 1.00 0.00 C ATOM 882 O ARG A 59 13.589 -3.327 2.428 1.00 0.00 O ATOM 883 CB ARG A 59 10.582 -2.541 3.748 1.00 0.00 C ATOM 884 CG ARG A 59 11.227 -3.389 4.858 1.00 0.00 C ATOM 885 CD ARG A 59 10.165 -3.746 5.904 1.00 0.00 C ATOM 886 NE ARG A 59 10.635 -4.762 6.862 1.00 0.00 N ATOM 887 CZ ARG A 59 9.891 -5.387 7.757 1.00 0.00 C ATOM 888 NH1 ARG A 59 8.626 -5.118 7.922 1.00 0.00 N ATOM 889 NH2 ARG A 59 10.408 -6.312 8.509 1.00 0.00 N ATOM 0 H ARG A 59 9.772 -1.773 1.589 1.00 0.00 H new ATOM 0 HA ARG A 59 12.227 -1.353 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.141 -1.652 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.767 -3.110 3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.657 -4.297 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.043 -2.838 5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.877 -2.846 6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.272 -4.113 5.399 1.00 0.00 H new ATOM 0 HE ARG A 59 11.625 -5.005 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.178 -4.403 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.085 -5.623 8.624 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.393 -6.559 8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.829 -6.791 9.198 1.00 0.00 H new ATOM 900 N GLU A 60 11.805 -4.116 1.299 1.00 0.00 N ATOM 901 CA GLU A 60 12.468 -5.297 0.744 1.00 0.00 C ATOM 902 C GLU A 60 13.507 -4.952 -0.340 1.00 0.00 C ATOM 903 O GLU A 60 14.456 -5.711 -0.558 1.00 0.00 O ATOM 904 CB GLU A 60 11.423 -6.328 0.285 1.00 0.00 C ATOM 905 CG GLU A 60 10.629 -5.980 -0.986 1.00 0.00 C ATOM 906 CD GLU A 60 11.221 -6.662 -2.236 1.00 0.00 C ATOM 907 OE1 GLU A 60 10.957 -7.871 -2.452 1.00 0.00 O ATOM 908 OE2 GLU A 60 11.940 -5.998 -3.019 1.00 0.00 O ATOM 0 H GLU A 60 10.836 -4.014 0.996 1.00 0.00 H new ATOM 0 HA GLU A 60 13.053 -5.758 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.931 -7.279 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.714 -6.481 1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.591 -6.288 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.626 -4.899 -1.128 1.00 0.00 H new ATOM 913 N ARG A 61 13.370 -3.772 -0.964 1.00 0.00 N ATOM 914 CA ARG A 61 14.355 -3.158 -1.871 1.00 0.00 C ATOM 915 C ARG A 61 15.556 -2.580 -1.114 1.00 0.00 C ATOM 916 O ARG A 61 16.690 -2.697 -1.588 1.00 0.00 O ATOM 917 CB ARG A 61 13.689 -2.056 -2.717 1.00 0.00 C ATOM 918 CG ARG A 61 12.633 -2.628 -3.678 1.00 0.00 C ATOM 919 CD ARG A 61 11.875 -1.552 -4.468 1.00 0.00 C ATOM 920 NE ARG A 61 12.751 -0.738 -5.332 1.00 0.00 N ATOM 921 CZ ARG A 61 12.377 0.303 -6.055 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.149 0.723 -6.098 1.00 0.00 N ATOM 923 NH2 ARG A 61 13.224 0.971 -6.776 1.00 0.00 N ATOM 0 H ARG A 61 12.537 -3.195 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 61 14.726 -3.947 -2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.221 -1.325 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.451 -1.527 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.121 -3.306 -4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.917 -3.220 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.113 -2.031 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.355 -0.897 -3.769 1.00 0.00 H new ATOM 0 HE ARG A 61 13.735 -1.003 -5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.427 0.244 -5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.906 1.532 -6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.206 0.696 -6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.908 1.771 -7.325 1.00 0.00 H new ATOM 934 N ARG A 62 15.320 -1.953 0.049 1.00 0.00 N ATOM 935 CA ARG A 62 16.333 -1.314 0.894 1.00 0.00 C ATOM 936 C ARG A 62 17.204 -2.327 1.655 1.00 0.00 C ATOM 937 O ARG A 62 18.431 -2.280 1.543 1.00 0.00 O ATOM 938 CB ARG A 62 15.581 -0.360 1.831 1.00 0.00 C ATOM 939 CG ARG A 62 16.475 0.300 2.884 1.00 0.00 C ATOM 940 CD ARG A 62 15.990 -0.055 4.289 1.00 0.00 C ATOM 941 NE ARG A 62 16.818 0.616 5.306 1.00 0.00 N ATOM 942 CZ ARG A 62 16.818 0.421 6.611 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.053 -0.464 7.183 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.601 1.127 7.374 1.00 0.00 N ATOM 0 H ARG A 62 14.381 -1.876 0.439 1.00 0.00 H new ATOM 0 HA ARG A 62 17.047 -0.765 0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.102 0.417 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.787 -0.911 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.506 -0.029 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.467 1.382 2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.948 0.242 4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.032 -1.135 4.432 1.00 0.00 H new ATOM 0 HE ARG A 62 17.472 1.318 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.425 -1.036 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.082 -0.585 8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.214 1.831 6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.601 0.977 8.383 1.00 0.00 H new ATOM 955 N ILE A 63 16.574 -3.170 2.480 1.00 0.00 N ATOM 956 CA ILE A 63 17.198 -4.044 3.497 1.00 0.00 C ATOM 957 C ILE A 63 18.282 -4.993 2.946 1.00 0.00 C ATOM 958 O ILE A 63 19.323 -5.149 3.626 1.00 0.00 O ATOM 959 CB ILE A 63 16.096 -4.753 4.323 1.00 0.00 C ATOM 960 CG1 ILE A 63 16.593 -5.294 5.679 1.00 0.00 C ATOM 961 CG2 ILE A 63 15.434 -5.895 3.538 1.00 0.00 C ATOM 962 CD1 ILE A 63 16.975 -4.188 6.671 1.00 0.00 C ATOM 963 OXT ILE A 63 18.114 -5.561 1.840 1.00 0.00 O ATOM 0 H ILE A 63 15.559 -3.271 2.460 1.00 0.00 H new ATOM 0 HA ILE A 63 17.767 -3.407 4.173 1.00 0.00 H new ATOM 0 HB ILE A 63 15.360 -3.975 4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 63 15.815 -5.916 6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.458 -5.936 5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 63 14.668 -6.364 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 63 14.977 -5.497 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.187 -6.636 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.316 -4.638 7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.775 -3.580 6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 63 16.106 -3.560 6.867 1.00 0.00 H new