USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=9 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= 0.95 K(o=2.1,f=-2.1) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 179:sc= 1.13 (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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,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= 0.681 K(o=0.68,f=-0.012) 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=2.84e-05 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 171:sc= 0 (180deg=-0.209) USER MOD Single : A 57 SER OG : rot 180:sc= 0.166 USER MOD Single : A 58 SER OG : rot -113:sc= 1.66 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -9.870 12.190 -4.572 1.00 0.00 N ATOM 35 CA LEU A 3 -8.836 12.625 -5.522 1.00 0.00 C ATOM 36 C LEU A 3 -9.097 12.314 -7.007 1.00 0.00 C ATOM 37 O LEU A 3 -10.030 11.595 -7.383 1.00 0.00 O ATOM 38 CB LEU A 3 -7.485 12.038 -5.067 1.00 0.00 C ATOM 39 CG LEU A 3 -6.986 12.580 -3.717 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.554 12.117 -3.476 1.00 0.00 C ATOM 41 CD2 LEU A 3 -6.999 14.108 -3.677 1.00 0.00 C ATOM 0 HA LEU A 3 -8.840 13.715 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.577 10.954 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.735 12.247 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.658 12.199 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.203 12.503 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.521 11.028 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.912 12.489 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.639 14.450 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.351 14.498 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.016 14.467 -3.834 1.00 0.00 H new ATOM 52 N THR A 4 -8.241 12.898 -7.852 1.00 0.00 N ATOM 53 CA THR A 4 -8.285 12.826 -9.326 1.00 0.00 C ATOM 54 C THR A 4 -7.807 11.472 -9.876 1.00 0.00 C ATOM 55 O THR A 4 -7.652 10.499 -9.132 1.00 0.00 O ATOM 56 CB THR A 4 -7.485 13.987 -9.948 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.120 13.870 -9.618 1.00 0.00 O ATOM 58 CG2 THR A 4 -7.984 15.356 -9.491 1.00 0.00 C ATOM 0 H THR A 4 -7.460 13.462 -7.516 1.00 0.00 H new ATOM 0 HA THR A 4 -9.332 12.921 -9.615 1.00 0.00 H new ATOM 0 HB THR A 4 -7.626 13.918 -11.027 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.622 14.612 -10.020 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.385 16.137 -9.960 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.028 15.478 -9.779 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.896 15.432 -8.407 1.00 0.00 H new ATOM 66 N GLN A 5 -7.563 11.397 -11.191 1.00 0.00 N ATOM 67 CA GLN A 5 -6.970 10.248 -11.887 1.00 0.00 C ATOM 68 C GLN A 5 -5.690 9.692 -11.236 1.00 0.00 C ATOM 69 O GLN A 5 -5.387 8.507 -11.400 1.00 0.00 O ATOM 70 CB GLN A 5 -6.720 10.621 -13.357 1.00 0.00 C ATOM 71 CG GLN A 5 -5.642 11.699 -13.582 1.00 0.00 C ATOM 72 CD GLN A 5 -5.440 11.999 -15.068 1.00 0.00 C ATOM 73 OE1 GLN A 5 -4.482 11.563 -15.697 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.323 12.754 -15.691 1.00 0.00 N ATOM 0 H GLN A 5 -7.782 12.166 -11.824 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.692 9.435 -11.814 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.431 9.721 -13.900 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.657 10.969 -13.792 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.928 12.613 -13.062 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.699 11.367 -13.147 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.126 13.125 -15.183 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.203 12.967 -16.681 1.00 0.00 H new ATOM 81 N GLY A 6 -4.954 10.513 -10.472 1.00 0.00 N ATOM 82 CA GLY A 6 -3.852 10.036 -9.653 1.00 0.00 C ATOM 83 C GLY A 6 -3.168 11.088 -8.784 1.00 0.00 C ATOM 84 O GLY A 6 -1.945 11.070 -8.719 1.00 0.00 O ATOM 0 H GLY A 6 -5.112 11.519 -10.411 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.223 9.242 -9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.103 9.590 -10.308 1.00 0.00 H new ATOM 88 N GLU A 7 -3.894 11.969 -8.079 1.00 0.00 N ATOM 89 CA GLU A 7 -3.311 13.001 -7.215 1.00 0.00 C ATOM 90 C GLU A 7 -2.481 12.429 -6.049 1.00 0.00 C ATOM 91 O GLU A 7 -1.682 13.143 -5.455 1.00 0.00 O ATOM 92 CB GLU A 7 -4.420 13.952 -6.711 1.00 0.00 C ATOM 93 CG GLU A 7 -4.174 15.362 -7.266 1.00 0.00 C ATOM 94 CD GLU A 7 -5.148 16.427 -6.725 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.187 16.660 -5.494 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.838 17.089 -7.541 1.00 0.00 O ATOM 0 H GLU A 7 -4.914 11.983 -8.095 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.603 13.565 -7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.397 13.589 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.428 13.974 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.154 15.663 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.251 15.332 -8.353 1.00 0.00 H new ATOM 101 N LEU A 8 -2.601 11.130 -5.766 1.00 0.00 N ATOM 102 CA LEU A 8 -1.722 10.382 -4.860 1.00 0.00 C ATOM 103 C LEU A 8 -0.851 9.329 -5.586 1.00 0.00 C ATOM 104 O LEU A 8 0.175 8.907 -5.059 1.00 0.00 O ATOM 105 CB LEU A 8 -2.595 9.826 -3.716 1.00 0.00 C ATOM 106 CG LEU A 8 -3.463 8.602 -4.080 1.00 0.00 C ATOM 107 CD1 LEU A 8 -2.815 7.332 -3.522 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.873 8.672 -3.487 1.00 0.00 C ATOM 0 H LEU A 8 -3.335 10.550 -6.173 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.971 11.044 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.945 9.554 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.250 10.622 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.534 8.592 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.428 6.468 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.820 7.212 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.735 7.411 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.434 7.784 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.809 8.721 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.381 9.561 -3.861 1.00 0.00 H new ATOM 119 N MET A 9 -1.199 8.941 -6.818 1.00 0.00 N ATOM 120 CA MET A 9 -0.518 7.901 -7.603 1.00 0.00 C ATOM 121 C MET A 9 0.842 8.384 -8.094 1.00 0.00 C ATOM 122 O MET A 9 1.881 7.829 -7.742 1.00 0.00 O ATOM 123 CB MET A 9 -1.444 7.407 -8.746 1.00 0.00 C ATOM 124 CG MET A 9 -0.786 7.123 -10.097 1.00 0.00 C ATOM 125 SD MET A 9 -1.808 6.153 -11.241 1.00 0.00 S ATOM 126 CE MET A 9 -0.622 5.927 -12.592 1.00 0.00 C ATOM 0 H MET A 9 -1.988 9.355 -7.314 1.00 0.00 H new ATOM 0 HA MET A 9 -0.314 7.042 -6.964 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.939 6.495 -8.411 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.223 8.154 -8.899 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.533 8.072 -10.571 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.151 6.592 -9.927 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.085 5.346 -13.390 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.322 6.901 -12.979 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.256 5.398 -12.221 1.00 0.00 H new ATOM 134 N LYS A 10 0.847 9.453 -8.889 1.00 0.00 N ATOM 135 CA LYS A 10 2.049 9.995 -9.547 1.00 0.00 C ATOM 136 C LYS A 10 2.985 10.766 -8.589 1.00 0.00 C ATOM 137 O LYS A 10 3.809 11.570 -9.022 1.00 0.00 O ATOM 138 CB LYS A 10 1.577 10.787 -10.789 1.00 0.00 C ATOM 139 CG LYS A 10 0.701 12.009 -10.451 1.00 0.00 C ATOM 140 CD LYS A 10 -0.409 12.297 -11.472 1.00 0.00 C ATOM 141 CE LYS A 10 -1.001 13.683 -11.196 1.00 0.00 C ATOM 142 NZ LYS A 10 -2.041 14.041 -12.193 1.00 0.00 N ATOM 0 H LYS A 10 0.001 9.982 -9.102 1.00 0.00 H new ATOM 0 HA LYS A 10 2.698 9.185 -9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.450 11.121 -11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.016 10.119 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.246 11.855 -9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.341 12.888 -10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.008 12.255 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.187 11.536 -11.405 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.433 13.702 -10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.206 14.429 -11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.420 14.985 -11.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.622 14.047 -13.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.811 13.343 -12.158 1.00 0.00 H new ATOM 152 N LEU A 11 2.828 10.528 -7.281 1.00 0.00 N ATOM 153 CA LEU A 11 3.432 11.209 -6.136 1.00 0.00 C ATOM 154 C LEU A 11 4.122 10.197 -5.226 1.00 0.00 C ATOM 155 O LEU A 11 5.249 10.445 -4.793 1.00 0.00 O ATOM 156 CB LEU A 11 2.363 11.946 -5.294 1.00 0.00 C ATOM 157 CG LEU A 11 1.671 13.174 -5.905 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.689 14.239 -6.302 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.841 12.818 -7.132 1.00 0.00 C ATOM 0 H LEU A 11 2.212 9.777 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 11 4.150 11.928 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.589 11.224 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.833 12.259 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 11 1.008 13.562 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.170 15.096 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.246 14.556 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.379 13.826 -7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.372 13.719 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.487 12.381 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.070 12.100 -6.854 1.00 0.00 H new ATOM 170 N ILE A 12 3.482 9.051 -4.950 1.00 0.00 N ATOM 171 CA ILE A 12 4.020 8.094 -3.969 1.00 0.00 C ATOM 172 C ILE A 12 5.372 7.526 -4.402 1.00 0.00 C ATOM 173 O ILE A 12 6.243 7.304 -3.561 1.00 0.00 O ATOM 174 CB ILE A 12 3.028 6.959 -3.651 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.396 6.280 -4.890 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.932 7.493 -2.719 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.325 4.754 -4.710 1.00 0.00 C ATOM 0 H ILE A 12 2.604 8.766 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 12 4.175 8.660 -3.051 1.00 0.00 H new ATOM 0 HB ILE A 12 3.609 6.175 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.394 6.677 -5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.983 6.518 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.227 6.694 -2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.384 7.853 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.405 8.312 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.877 4.304 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.330 4.357 -4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.717 4.519 -3.836 1.00 0.00 H new ATOM 188 N LYS A 13 5.600 7.376 -5.714 1.00 0.00 N ATOM 189 CA LYS A 13 6.890 6.870 -6.234 1.00 0.00 C ATOM 190 C LYS A 13 7.870 7.971 -6.641 1.00 0.00 C ATOM 191 O LYS A 13 9.063 7.733 -6.788 1.00 0.00 O ATOM 192 CB LYS A 13 6.629 5.856 -7.355 1.00 0.00 C ATOM 193 CG LYS A 13 5.907 6.408 -8.596 1.00 0.00 C ATOM 194 CD LYS A 13 6.805 7.003 -9.693 1.00 0.00 C ATOM 195 CE LYS A 13 7.711 5.943 -10.332 1.00 0.00 C ATOM 196 NZ LYS A 13 8.513 6.513 -11.445 1.00 0.00 N ATOM 0 H LYS A 13 4.915 7.595 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 13 7.399 6.361 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.584 5.435 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.038 5.036 -6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.316 5.604 -9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.207 7.177 -8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.183 7.460 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.420 7.796 -9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.378 5.529 -9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.102 5.119 -10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.115 5.770 -11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.875 6.886 -12.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.112 7.283 -11.083 1.00 0.00 H new ATOM 206 N GLU A 14 7.369 9.190 -6.775 1.00 0.00 N ATOM 207 CA GLU A 14 8.086 10.390 -7.215 1.00 0.00 C ATOM 208 C GLU A 14 8.712 11.144 -6.030 1.00 0.00 C ATOM 209 O GLU A 14 9.618 11.957 -6.231 1.00 0.00 O ATOM 210 CB GLU A 14 7.127 11.275 -8.032 1.00 0.00 C ATOM 211 CG GLU A 14 7.853 12.386 -8.808 1.00 0.00 C ATOM 212 CD GLU A 14 6.920 13.101 -9.804 1.00 0.00 C ATOM 213 OE1 GLU A 14 6.772 12.617 -10.955 1.00 0.00 O ATOM 214 OE2 GLU A 14 6.372 14.181 -9.467 1.00 0.00 O ATOM 0 H GLU A 14 6.390 9.386 -6.568 1.00 0.00 H new ATOM 0 HA GLU A 14 8.920 10.099 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.573 10.651 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.396 11.726 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.258 13.114 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.699 11.958 -9.347 1.00 0.00 H new ATOM 219 N ILE A 15 8.306 10.823 -4.793 1.00 0.00 N ATOM 220 CA ILE A 15 8.981 11.243 -3.571 1.00 0.00 C ATOM 221 C ILE A 15 9.733 10.045 -2.989 1.00 0.00 C ATOM 222 O ILE A 15 10.938 10.144 -2.788 1.00 0.00 O ATOM 223 CB ILE A 15 8.016 11.931 -2.581 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.970 10.976 -1.964 1.00 0.00 C ATOM 225 CG2 ILE A 15 7.316 13.127 -3.250 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.373 10.578 -0.541 1.00 0.00 C ATOM 0 H ILE A 15 7.480 10.251 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 15 9.717 12.015 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 15 8.635 12.281 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.993 11.459 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.875 10.084 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.640 13.599 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.063 13.851 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.748 12.780 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.623 9.905 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.339 10.074 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.444 11.471 0.080 1.00 0.00 H new ATOM 237 N VAL A 16 9.102 8.881 -2.775 1.00 0.00 N ATOM 238 CA VAL A 16 9.774 7.815 -2.023 1.00 0.00 C ATOM 239 C VAL A 16 11.004 7.299 -2.767 1.00 0.00 C ATOM 240 O VAL A 16 12.034 7.042 -2.142 1.00 0.00 O ATOM 241 CB VAL A 16 8.846 6.638 -1.682 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.624 5.584 -0.898 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.678 7.066 -0.796 1.00 0.00 C ATOM 0 H VAL A 16 8.161 8.659 -3.099 1.00 0.00 H new ATOM 0 HA VAL A 16 10.084 8.271 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 16 8.468 6.252 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.965 4.750 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.458 5.225 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.005 6.024 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.049 6.202 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.061 7.477 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.089 7.824 -1.312 1.00 0.00 H new ATOM 253 N GLU A 17 10.941 7.215 -4.103 1.00 0.00 N ATOM 254 CA GLU A 17 12.105 6.750 -4.880 1.00 0.00 C ATOM 255 C GLU A 17 13.071 7.896 -5.239 1.00 0.00 C ATOM 256 O GLU A 17 14.017 7.698 -6.006 1.00 0.00 O ATOM 257 CB GLU A 17 11.675 5.931 -6.112 1.00 0.00 C ATOM 258 CG GLU A 17 10.665 4.801 -5.825 1.00 0.00 C ATOM 259 CD GLU A 17 11.209 3.714 -4.880 1.00 0.00 C ATOM 260 OE1 GLU A 17 12.335 3.209 -5.116 1.00 0.00 O ATOM 261 OE2 GLU A 17 10.492 3.311 -3.929 1.00 0.00 O ATOM 0 H GLU A 17 10.121 7.455 -4.659 1.00 0.00 H new ATOM 0 HA GLU A 17 12.669 6.077 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.240 6.609 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.564 5.496 -6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.764 5.232 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.373 4.338 -6.768 1.00 0.00 H new ATOM 266 N ASN A 18 12.864 9.089 -4.669 1.00 0.00 N ATOM 267 CA ASN A 18 13.674 10.285 -4.865 1.00 0.00 C ATOM 268 C ASN A 18 14.360 10.767 -3.570 1.00 0.00 C ATOM 269 O ASN A 18 15.388 11.445 -3.632 1.00 0.00 O ATOM 270 CB ASN A 18 12.722 11.339 -5.447 1.00 0.00 C ATOM 271 CG ASN A 18 13.374 12.692 -5.648 1.00 0.00 C ATOM 272 OD1 ASN A 18 14.037 12.958 -6.642 1.00 0.00 O ATOM 273 ND2 ASN A 18 13.200 13.587 -4.704 1.00 0.00 N ATOM 0 H ASN A 18 12.087 9.248 -4.028 1.00 0.00 H new ATOM 0 HA ASN A 18 14.505 10.082 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.338 10.983 -6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.866 11.452 -4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.619 14.513 -4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.646 13.357 -3.879 1.00 0.00 H new ATOM 279 N GLU A 19 13.809 10.427 -2.399 1.00 0.00 N ATOM 280 CA GLU A 19 14.238 10.953 -1.095 1.00 0.00 C ATOM 281 C GLU A 19 15.404 10.143 -0.526 1.00 0.00 C ATOM 282 O GLU A 19 16.564 10.555 -0.618 1.00 0.00 O ATOM 283 CB GLU A 19 13.050 10.956 -0.114 1.00 0.00 C ATOM 284 CG GLU A 19 11.965 11.998 -0.404 1.00 0.00 C ATOM 285 CD GLU A 19 12.447 13.434 -0.141 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.459 13.861 1.040 1.00 0.00 O ATOM 287 OE2 GLU A 19 12.817 14.144 -1.108 1.00 0.00 O ATOM 0 H GLU A 19 13.036 9.765 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 19 14.585 11.977 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.592 9.967 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.432 11.124 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.648 11.909 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.092 11.791 0.215 1.00 0.00 H new ATOM 292 N ASP A 20 15.102 8.980 0.057 1.00 0.00 N ATOM 293 CA ASP A 20 16.077 8.079 0.659 1.00 0.00 C ATOM 294 C ASP A 20 15.744 6.618 0.328 1.00 0.00 C ATOM 295 O ASP A 20 15.112 5.903 1.106 1.00 0.00 O ATOM 296 CB ASP A 20 16.170 8.313 2.178 1.00 0.00 C ATOM 297 CG ASP A 20 16.877 9.622 2.546 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.133 9.638 2.532 1.00 0.00 O ATOM 299 OD2 ASP A 20 16.197 10.619 2.891 1.00 0.00 O ATOM 0 H ASP A 20 14.145 8.633 0.123 1.00 0.00 H new ATOM 0 HA ASP A 20 17.057 8.295 0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.165 8.319 2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.702 7.479 2.635 1.00 0.00 H new ATOM 303 N LYS A 21 16.232 6.141 -0.821 1.00 0.00 N ATOM 304 CA LYS A 21 16.186 4.718 -1.218 1.00 0.00 C ATOM 305 C LYS A 21 16.916 3.780 -0.238 1.00 0.00 C ATOM 306 O LYS A 21 16.637 2.580 -0.209 1.00 0.00 O ATOM 307 CB LYS A 21 16.747 4.565 -2.644 1.00 0.00 C ATOM 308 CG LYS A 21 15.834 5.210 -3.704 1.00 0.00 C ATOM 309 CD LYS A 21 16.405 5.092 -5.126 1.00 0.00 C ATOM 310 CE LYS A 21 16.438 3.641 -5.621 1.00 0.00 C ATOM 311 NZ LYS A 21 16.985 3.553 -6.997 1.00 0.00 N ATOM 0 H LYS A 21 16.679 6.737 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 21 15.140 4.412 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.736 5.021 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.872 3.506 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.853 4.736 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.688 6.263 -3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.803 5.693 -5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.414 5.503 -5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.046 3.038 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.431 3.225 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.995 2.559 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.390 4.109 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.955 3.929 -7.010 1.00 0.00 H new ATOM 321 N ARG A 22 17.816 4.327 0.595 1.00 0.00 N ATOM 322 CA ARG A 22 18.501 3.669 1.730 1.00 0.00 C ATOM 323 C ARG A 22 17.709 3.678 3.051 1.00 0.00 C ATOM 324 O ARG A 22 18.026 2.890 3.946 1.00 0.00 O ATOM 325 CB ARG A 22 19.900 4.292 1.935 1.00 0.00 C ATOM 326 CG ARG A 22 19.914 5.816 2.175 1.00 0.00 C ATOM 327 CD ARG A 22 20.249 6.604 0.900 1.00 0.00 C ATOM 328 NE ARG A 22 20.022 8.047 1.089 1.00 0.00 N ATOM 329 CZ ARG A 22 20.566 9.056 0.438 1.00 0.00 C ATOM 330 NH1 ARG A 22 21.457 8.895 -0.501 1.00 0.00 N ATOM 331 NH2 ARG A 22 20.199 10.265 0.736 1.00 0.00 N ATOM 0 H ARG A 22 18.106 5.300 0.492 1.00 0.00 H new ATOM 0 HA ARG A 22 18.589 2.618 1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.377 3.803 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.509 4.073 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.940 6.132 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.645 6.053 2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 22 21.289 6.430 0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.636 6.242 0.074 1.00 0.00 H new ATOM 0 HE ARG A 22 19.356 8.299 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 22 21.761 7.956 -0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.849 9.708 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.501 10.421 1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.609 11.058 0.243 1.00 0.00 H new ATOM 342 N LYS A 23 16.686 4.534 3.179 1.00 0.00 N ATOM 343 CA LYS A 23 15.822 4.725 4.367 1.00 0.00 C ATOM 344 C LYS A 23 14.391 5.129 3.934 1.00 0.00 C ATOM 345 O LYS A 23 14.018 6.300 4.073 1.00 0.00 O ATOM 346 CB LYS A 23 16.436 5.789 5.311 1.00 0.00 C ATOM 347 CG LYS A 23 17.810 5.424 5.900 1.00 0.00 C ATOM 348 CD LYS A 23 18.342 6.497 6.862 1.00 0.00 C ATOM 349 CE LYS A 23 18.705 7.795 6.124 1.00 0.00 C ATOM 350 NZ LYS A 23 19.275 8.808 7.049 1.00 0.00 N ATOM 0 H LYS A 23 16.418 5.152 2.413 1.00 0.00 H new ATOM 0 HA LYS A 23 15.758 3.782 4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.530 6.727 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.742 5.968 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.734 4.473 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.524 5.282 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.590 6.709 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.221 6.116 7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.424 7.577 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.816 8.201 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.509 9.671 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.579 9.034 7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 20.137 8.429 7.490 1.00 0.00 H new ATOM 360 N PRO A 24 13.587 4.202 3.376 1.00 0.00 N ATOM 361 CA PRO A 24 12.306 4.530 2.748 1.00 0.00 C ATOM 362 C PRO A 24 11.209 4.900 3.763 1.00 0.00 C ATOM 363 O PRO A 24 11.333 4.672 4.972 1.00 0.00 O ATOM 364 CB PRO A 24 11.927 3.272 1.959 1.00 0.00 C ATOM 365 CG PRO A 24 12.508 2.157 2.823 1.00 0.00 C ATOM 366 CD PRO A 24 13.818 2.765 3.308 1.00 0.00 C ATOM 0 HA PRO A 24 12.399 5.414 2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.848 3.175 1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.357 3.276 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.848 1.900 3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.672 1.244 2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.096 2.367 4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.634 2.532 2.624 1.00 0.00 H new ATOM 371 N TYR A 25 10.101 5.438 3.251 1.00 0.00 N ATOM 372 CA TYR A 25 8.833 5.609 3.970 1.00 0.00 C ATOM 373 C TYR A 25 8.054 4.274 4.026 1.00 0.00 C ATOM 374 O TYR A 25 8.541 3.221 3.595 1.00 0.00 O ATOM 375 CB TYR A 25 8.006 6.737 3.312 1.00 0.00 C ATOM 376 CG TYR A 25 8.700 8.086 3.205 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.661 8.325 2.201 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.362 9.114 4.101 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.299 9.574 2.095 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.003 10.366 4.013 1.00 0.00 C ATOM 381 CZ TYR A 25 9.972 10.600 3.013 1.00 0.00 C ATOM 382 OH TYR A 25 10.574 11.817 2.945 1.00 0.00 O ATOM 0 H TYR A 25 10.058 5.779 2.291 1.00 0.00 H new ATOM 0 HA TYR A 25 9.038 5.902 5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.720 6.416 2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.085 6.867 3.881 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.910 7.538 1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.610 8.945 4.858 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.031 9.748 1.321 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.752 11.149 4.713 1.00 0.00 H new ATOM 0 HH TYR A 25 10.224 12.395 3.654 1.00 0.00 H new ATOM 391 N SER A 26 6.825 4.309 4.539 1.00 0.00 N ATOM 392 CA SER A 26 5.851 3.204 4.524 1.00 0.00 C ATOM 393 C SER A 26 4.486 3.740 4.092 1.00 0.00 C ATOM 394 O SER A 26 4.319 4.956 3.970 1.00 0.00 O ATOM 395 CB SER A 26 5.775 2.533 5.902 1.00 0.00 C ATOM 396 OG SER A 26 5.314 3.443 6.891 1.00 0.00 O ATOM 0 H SER A 26 6.459 5.143 4.998 1.00 0.00 H new ATOM 0 HA SER A 26 6.172 2.446 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.106 1.674 5.855 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.759 2.156 6.181 1.00 0.00 H new ATOM 0 HG SER A 26 5.273 2.990 7.759 1.00 0.00 H new ATOM 401 N ASP A 27 3.493 2.878 3.866 1.00 0.00 N ATOM 402 CA ASP A 27 2.161 3.330 3.457 1.00 0.00 C ATOM 403 C ASP A 27 1.455 4.148 4.554 1.00 0.00 C ATOM 404 O ASP A 27 0.643 5.014 4.245 1.00 0.00 O ATOM 405 CB ASP A 27 1.308 2.178 2.898 1.00 0.00 C ATOM 406 CG ASP A 27 1.955 1.529 1.665 1.00 0.00 C ATOM 407 OD1 ASP A 27 2.602 2.252 0.872 1.00 0.00 O ATOM 408 OD2 ASP A 27 1.770 0.311 1.449 1.00 0.00 O ATOM 0 H ASP A 27 3.585 1.866 3.959 1.00 0.00 H new ATOM 0 HA ASP A 27 2.298 4.024 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.165 1.424 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.320 2.554 2.633 1.00 0.00 H new ATOM 412 N GLN A 28 1.818 3.984 5.833 1.00 0.00 N ATOM 413 CA GLN A 28 1.421 4.921 6.884 1.00 0.00 C ATOM 414 C GLN A 28 2.126 6.274 6.699 1.00 0.00 C ATOM 415 O GLN A 28 1.475 7.317 6.667 1.00 0.00 O ATOM 416 CB GLN A 28 1.701 4.299 8.263 1.00 0.00 C ATOM 417 CG GLN A 28 1.519 5.275 9.437 1.00 0.00 C ATOM 418 CD GLN A 28 0.118 5.889 9.531 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.777 5.360 10.179 1.00 0.00 O ATOM 420 NE2 GLN A 28 -0.128 7.026 8.910 1.00 0.00 N ATOM 0 H GLN A 28 2.389 3.206 6.163 1.00 0.00 H new ATOM 0 HA GLN A 28 0.350 5.114 6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.038 3.446 8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.721 3.916 8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.737 4.751 10.368 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.250 6.078 9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.606 7.479 8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.053 7.452 8.973 1.00 0.00 H new ATOM 427 N GLU A 29 3.452 6.295 6.605 1.00 0.00 N ATOM 428 CA GLU A 29 4.209 7.537 6.547 1.00 0.00 C ATOM 429 C GLU A 29 3.861 8.382 5.317 1.00 0.00 C ATOM 430 O GLU A 29 3.544 9.558 5.480 1.00 0.00 O ATOM 431 CB GLU A 29 5.703 7.219 6.639 1.00 0.00 C ATOM 432 CG GLU A 29 6.159 6.714 8.015 1.00 0.00 C ATOM 433 CD GLU A 29 6.087 7.814 9.089 1.00 0.00 C ATOM 434 OE1 GLU A 29 7.057 8.601 9.223 1.00 0.00 O ATOM 435 OE2 GLU A 29 5.066 7.899 9.816 1.00 0.00 O ATOM 0 H GLU A 29 4.028 5.454 6.567 1.00 0.00 H new ATOM 0 HA GLU A 29 3.931 8.156 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.949 6.467 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.269 8.116 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.535 5.872 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.182 6.344 7.944 1.00 0.00 H new ATOM 440 N ILE A 30 3.820 7.805 4.110 1.00 0.00 N ATOM 441 CA ILE A 30 3.355 8.534 2.922 1.00 0.00 C ATOM 442 C ILE A 30 1.906 9.003 3.062 1.00 0.00 C ATOM 443 O ILE A 30 1.623 10.141 2.703 1.00 0.00 O ATOM 444 CB ILE A 30 3.617 7.791 1.599 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.727 6.550 1.424 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.112 7.480 1.494 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.198 5.557 0.352 1.00 0.00 C ATOM 0 H ILE A 30 4.101 6.841 3.930 1.00 0.00 H new ATOM 0 HA ILE A 30 3.971 9.432 2.867 1.00 0.00 H new ATOM 0 HB ILE A 30 3.338 8.439 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.666 6.028 2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.718 6.878 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.309 6.953 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.679 8.410 1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.413 6.854 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.505 4.717 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.230 6.056 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.193 5.193 0.606 1.00 0.00 H new ATOM 458 N ALA A 31 1.008 8.209 3.658 1.00 0.00 N ATOM 459 CA ALA A 31 -0.379 8.655 3.868 1.00 0.00 C ATOM 460 C ALA A 31 -0.447 9.900 4.779 1.00 0.00 C ATOM 461 O ALA A 31 -1.277 10.791 4.580 1.00 0.00 O ATOM 462 CB ALA A 31 -1.199 7.506 4.466 1.00 0.00 C ATOM 0 H ALA A 31 1.210 7.269 3.999 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.798 8.939 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.226 7.835 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.190 6.658 3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.765 7.207 5.420 1.00 0.00 H new ATOM 468 N ASN A 32 0.458 9.984 5.757 1.00 0.00 N ATOM 469 CA ASN A 32 0.569 11.098 6.691 1.00 0.00 C ATOM 470 C ASN A 32 1.029 12.397 6.018 1.00 0.00 C ATOM 471 O ASN A 32 0.344 13.411 6.123 1.00 0.00 O ATOM 472 CB ASN A 32 1.494 10.686 7.844 1.00 0.00 C ATOM 473 CG ASN A 32 1.634 11.765 8.902 1.00 0.00 C ATOM 474 OD1 ASN A 32 0.661 12.315 9.399 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.843 12.118 9.275 1.00 0.00 N ATOM 0 H ASN A 32 1.152 9.255 5.923 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.423 11.321 7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.107 9.778 8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.479 10.445 7.445 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.968 12.848 9.976 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.657 11.662 8.863 1.00 0.00 H new ATOM 481 N ILE A 33 2.169 12.395 5.323 1.00 0.00 N ATOM 482 CA ILE A 33 2.715 13.624 4.701 1.00 0.00 C ATOM 483 C ILE A 33 1.785 14.147 3.598 1.00 0.00 C ATOM 484 O ILE A 33 1.643 15.354 3.411 1.00 0.00 O ATOM 485 CB ILE A 33 4.122 13.404 4.115 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.081 12.666 5.079 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.769 14.732 3.692 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.625 11.425 4.381 1.00 0.00 C ATOM 0 H ILE A 33 2.738 11.562 5.172 1.00 0.00 H new ATOM 0 HA ILE A 33 2.786 14.364 5.498 1.00 0.00 H new ATOM 0 HB ILE A 33 3.970 12.769 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.900 13.323 5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.555 12.385 5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.761 14.539 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.151 15.213 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.855 15.387 4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.302 10.897 5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.798 10.768 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.164 11.721 3.481 1.00 0.00 H new ATOM 499 N LEU A 34 1.091 13.248 2.896 1.00 0.00 N ATOM 500 CA LEU A 34 0.102 13.576 1.865 1.00 0.00 C ATOM 501 C LEU A 34 -1.084 14.365 2.430 1.00 0.00 C ATOM 502 O LEU A 34 -1.728 15.129 1.706 1.00 0.00 O ATOM 503 CB LEU A 34 -0.341 12.266 1.180 1.00 0.00 C ATOM 504 CG LEU A 34 0.475 11.853 -0.067 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.982 12.104 0.042 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.243 10.377 -0.390 1.00 0.00 C ATOM 0 H LEU A 34 1.204 12.244 3.033 1.00 0.00 H new ATOM 0 HA LEU A 34 0.557 14.234 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.287 11.459 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.387 12.364 0.891 1.00 0.00 H new ATOM 0 HG LEU A 34 0.109 12.496 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.472 11.784 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.163 13.167 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.385 11.539 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.824 10.101 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.555 9.766 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.816 10.210 -0.587 1.00 0.00 H new ATOM 517 N LYS A 35 -1.332 14.260 3.737 1.00 0.00 N ATOM 518 CA LYS A 35 -2.375 15.042 4.419 1.00 0.00 C ATOM 519 C LYS A 35 -1.916 16.462 4.780 1.00 0.00 C ATOM 520 O LYS A 35 -2.749 17.307 5.105 1.00 0.00 O ATOM 521 CB LYS A 35 -2.899 14.226 5.617 1.00 0.00 C ATOM 522 CG LYS A 35 -2.423 14.723 6.990 1.00 0.00 C ATOM 523 CD LYS A 35 -2.626 13.645 8.061 1.00 0.00 C ATOM 524 CE LYS A 35 -2.418 14.189 9.481 1.00 0.00 C ATOM 525 NZ LYS A 35 -1.015 14.599 9.731 1.00 0.00 N ATOM 0 H LYS A 35 -0.818 13.632 4.355 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.207 15.212 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.989 14.239 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.590 13.188 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.369 14.995 6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.972 15.624 7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.632 13.235 7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.931 12.824 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.077 15.043 9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.705 13.426 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.930 14.975 10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.388 13.776 9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.741 15.334 9.048 1.00 0.00 H new ATOM 535 N GLU A 36 -0.611 16.742 4.699 1.00 0.00 N ATOM 536 CA GLU A 36 -0.036 18.047 5.063 1.00 0.00 C ATOM 537 C GLU A 36 0.011 19.015 3.868 1.00 0.00 C ATOM 538 O GLU A 36 0.292 20.204 4.057 1.00 0.00 O ATOM 539 CB GLU A 36 1.370 17.877 5.668 1.00 0.00 C ATOM 540 CG GLU A 36 1.375 16.973 6.907 1.00 0.00 C ATOM 541 CD GLU A 36 2.723 17.056 7.646 1.00 0.00 C ATOM 542 OE1 GLU A 36 3.719 16.445 7.187 1.00 0.00 O ATOM 543 OE2 GLU A 36 2.796 17.732 8.700 1.00 0.00 O ATOM 0 H GLU A 36 0.083 16.067 4.377 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.694 18.485 5.814 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.037 17.458 4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.767 18.856 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.569 17.267 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.182 15.942 6.610 1.00 0.00 H new ATOM 548 N LYS A 37 -0.275 18.525 2.650 1.00 0.00 N ATOM 549 CA LYS A 37 -0.191 19.317 1.399 1.00 0.00 C ATOM 550 C LYS A 37 -1.454 19.290 0.534 1.00 0.00 C ATOM 551 O LYS A 37 -1.705 20.277 -0.161 1.00 0.00 O ATOM 552 CB LYS A 37 1.095 18.998 0.614 1.00 0.00 C ATOM 553 CG LYS A 37 1.476 17.517 0.654 1.00 0.00 C ATOM 554 CD LYS A 37 2.734 17.221 -0.159 1.00 0.00 C ATOM 555 CE LYS A 37 3.164 15.814 0.247 1.00 0.00 C ATOM 556 NZ LYS A 37 4.209 15.267 -0.655 1.00 0.00 N ATOM 0 H LYS A 37 -0.574 17.562 2.499 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.127 20.358 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.965 19.305 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.916 19.589 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.635 17.213 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.649 16.921 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.531 17.275 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.518 17.947 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.541 15.832 1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.297 15.154 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.471 14.310 -0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.841 15.225 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.047 15.882 -0.628 1.00 0.00 H new ATOM 566 N GLY A 38 -2.311 18.269 0.655 1.00 0.00 N ATOM 567 CA GLY A 38 -3.745 18.453 0.381 1.00 0.00 C ATOM 568 C GLY A 38 -4.495 17.199 -0.043 1.00 0.00 C ATOM 569 O GLY A 38 -5.675 17.286 -0.395 1.00 0.00 O ATOM 0 H GLY A 38 -2.046 17.325 0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.220 18.855 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.855 19.203 -0.402 1.00 0.00 H new ATOM 573 N PHE A 39 -3.834 16.040 -0.043 1.00 0.00 N ATOM 574 CA PHE A 39 -4.404 14.817 -0.594 1.00 0.00 C ATOM 575 C PHE A 39 -5.290 14.093 0.419 1.00 0.00 C ATOM 576 O PHE A 39 -6.263 13.431 0.044 1.00 0.00 O ATOM 577 CB PHE A 39 -3.270 13.912 -1.085 1.00 0.00 C ATOM 578 CG PHE A 39 -2.292 14.629 -1.994 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.698 14.999 -3.288 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.007 14.980 -1.538 1.00 0.00 C ATOM 581 CE1 PHE A 39 -1.824 15.707 -4.127 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.136 15.695 -2.377 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.540 16.058 -3.674 1.00 0.00 C ATOM 0 H PHE A 39 -2.894 15.926 0.337 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.047 15.080 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.733 13.513 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.696 13.061 -1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.686 14.737 -3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.691 14.700 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.138 15.983 -5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.848 15.967 -2.024 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.133 16.604 -4.319 1.00 0.00 H new ATOM 592 N LYS A 40 -4.927 14.235 1.707 1.00 0.00 N ATOM 593 CA LYS A 40 -5.446 13.566 2.912 1.00 0.00 C ATOM 594 C LYS A 40 -6.052 12.191 2.619 1.00 0.00 C ATOM 595 O LYS A 40 -7.187 11.888 2.990 1.00 0.00 O ATOM 596 CB LYS A 40 -6.338 14.527 3.720 1.00 0.00 C ATOM 597 CG LYS A 40 -7.431 15.203 2.876 1.00 0.00 C ATOM 598 CD LYS A 40 -8.671 15.554 3.708 1.00 0.00 C ATOM 599 CE LYS A 40 -9.463 14.287 4.056 1.00 0.00 C ATOM 600 NZ LYS A 40 -10.590 14.578 4.977 1.00 0.00 N ATOM 0 H LYS A 40 -4.185 14.890 1.954 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.608 13.324 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.808 13.976 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.713 15.296 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.030 16.110 2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.719 14.541 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.369 16.064 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.305 16.245 3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.848 13.836 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.797 13.557 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.101 13.698 5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.221 14.985 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.239 15.256 4.528 1.00 0.00 H new ATOM 610 N VAL A 41 -5.264 11.385 1.907 1.00 0.00 N ATOM 611 CA VAL A 41 -5.521 9.960 1.626 1.00 0.00 C ATOM 612 C VAL A 41 -4.928 9.113 2.772 1.00 0.00 C ATOM 613 O VAL A 41 -3.857 9.411 3.303 1.00 0.00 O ATOM 614 CB VAL A 41 -5.016 9.542 0.223 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.530 9.915 0.053 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.119 8.039 -0.046 1.00 0.00 C ATOM 0 H VAL A 41 -4.393 11.714 1.491 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.596 9.781 1.593 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.661 10.073 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.191 9.614 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.410 10.992 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.937 9.402 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.747 7.822 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.523 7.496 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.160 7.726 0.030 1.00 0.00 H new ATOM 626 N ALA A 42 -5.636 8.065 3.174 1.00 0.00 N ATOM 627 CA ALA A 42 -5.303 7.065 4.175 1.00 0.00 C ATOM 628 C ALA A 42 -4.458 5.900 3.617 1.00 0.00 C ATOM 629 O ALA A 42 -4.372 5.635 2.413 1.00 0.00 O ATOM 630 CB ALA A 42 -6.624 6.534 4.752 1.00 0.00 C ATOM 0 H ALA A 42 -6.551 7.878 2.763 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.687 7.534 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.413 5.779 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.180 7.355 5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.218 6.090 3.953 1.00 0.00 H new ATOM 636 N ARG A 43 -3.878 5.133 4.540 1.00 0.00 N ATOM 637 CA ARG A 43 -2.953 4.014 4.293 1.00 0.00 C ATOM 638 C ARG A 43 -3.556 2.850 3.506 1.00 0.00 C ATOM 639 O ARG A 43 -2.828 2.123 2.833 1.00 0.00 O ATOM 640 CB ARG A 43 -2.377 3.579 5.649 1.00 0.00 C ATOM 641 CG ARG A 43 -1.301 2.479 5.593 1.00 0.00 C ATOM 642 CD ARG A 43 -1.750 1.088 6.063 1.00 0.00 C ATOM 643 NE ARG A 43 -2.311 0.275 4.970 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.773 -0.956 5.067 1.00 0.00 C ATOM 645 NH1 ARG A 43 -2.868 -1.567 6.214 1.00 0.00 N ATOM 646 NH2 ARG A 43 -3.159 -1.597 4.007 1.00 0.00 N ATOM 0 H ARG A 43 -4.046 5.279 5.535 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.158 4.364 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.951 4.454 6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.197 3.229 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.943 2.398 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.454 2.793 6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.900 0.565 6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.497 1.198 6.850 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.345 0.707 4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.581 -1.092 7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.230 -2.520 6.256 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.106 -1.149 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.516 -2.549 4.088 1.00 0.00 H new ATOM 657 N ARG A 44 -4.876 2.670 3.563 1.00 0.00 N ATOM 658 CA ARG A 44 -5.606 1.578 2.895 1.00 0.00 C ATOM 659 C ARG A 44 -5.574 1.753 1.379 1.00 0.00 C ATOM 660 O ARG A 44 -5.491 0.773 0.642 1.00 0.00 O ATOM 661 CB ARG A 44 -7.050 1.541 3.430 1.00 0.00 C ATOM 662 CG ARG A 44 -7.277 0.522 4.562 1.00 0.00 C ATOM 663 CD ARG A 44 -6.280 0.529 5.740 1.00 0.00 C ATOM 664 NE ARG A 44 -6.013 1.853 6.343 1.00 0.00 N ATOM 665 CZ ARG A 44 -6.839 2.704 6.919 1.00 0.00 C ATOM 666 NH1 ARG A 44 -8.119 2.529 7.003 1.00 0.00 N ATOM 667 NH2 ARG A 44 -6.404 3.812 7.436 1.00 0.00 N ATOM 0 H ARG A 44 -5.489 3.294 4.088 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.124 0.626 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.317 2.534 3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.725 1.309 2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.276 0.686 4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.271 -0.475 4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.659 -0.135 6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.335 0.109 5.395 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.039 2.154 6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.546 1.691 6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.700 3.229 7.463 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.409 4.035 7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.057 4.459 7.878 1.00 0.00 H new ATOM 678 N THR A 45 -5.601 3.000 0.920 1.00 0.00 N ATOM 679 CA THR A 45 -5.642 3.428 -0.464 1.00 0.00 C ATOM 680 C THR A 45 -4.243 3.535 -1.027 1.00 0.00 C ATOM 681 O THR A 45 -3.950 3.047 -2.118 1.00 0.00 O ATOM 682 CB THR A 45 -6.254 4.833 -0.481 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.338 4.918 0.421 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.706 5.186 -1.883 1.00 0.00 C ATOM 0 H THR A 45 -5.594 3.795 1.559 1.00 0.00 H new ATOM 0 HA THR A 45 -6.215 2.713 -1.054 1.00 0.00 H new ATOM 0 HB THR A 45 -5.492 5.546 -0.165 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.714 5.823 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.139 6.186 -1.885 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.851 5.160 -2.558 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.454 4.466 -2.216 1.00 0.00 H new ATOM 692 N VAL A 46 -3.361 4.179 -0.263 1.00 0.00 N ATOM 693 CA VAL A 46 -2.017 4.500 -0.699 1.00 0.00 C ATOM 694 C VAL A 46 -1.186 3.221 -0.901 1.00 0.00 C ATOM 695 O VAL A 46 -0.328 3.155 -1.784 1.00 0.00 O ATOM 696 CB VAL A 46 -1.403 5.520 0.282 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.573 4.883 1.384 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.512 6.532 -0.426 1.00 0.00 C ATOM 0 H VAL A 46 -3.569 4.493 0.685 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.030 4.977 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.269 6.011 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.174 5.661 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.199 4.208 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.250 4.322 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.102 7.230 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.303 6.011 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.099 7.081 -1.162 1.00 0.00 H new ATOM 708 N ALA A 47 -1.518 2.164 -0.144 1.00 0.00 N ATOM 709 CA ALA A 47 -0.952 0.830 -0.239 1.00 0.00 C ATOM 710 C ALA A 47 -1.386 0.080 -1.505 1.00 0.00 C ATOM 711 O ALA A 47 -0.594 -0.639 -2.119 1.00 0.00 O ATOM 712 CB ALA A 47 -1.382 0.045 1.005 1.00 0.00 C ATOM 0 H ALA A 47 -2.227 2.231 0.586 1.00 0.00 H new ATOM 0 HA ALA A 47 0.132 0.924 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.970 -0.963 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.013 0.548 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.470 -0.009 1.043 1.00 0.00 H new ATOM 718 N LYS A 48 -2.645 0.268 -1.918 1.00 0.00 N ATOM 719 CA LYS A 48 -3.205 -0.305 -3.145 1.00 0.00 C ATOM 720 C LYS A 48 -2.628 0.344 -4.404 1.00 0.00 C ATOM 721 O LYS A 48 -2.621 -0.269 -5.470 1.00 0.00 O ATOM 722 CB LYS A 48 -4.733 -0.159 -3.103 1.00 0.00 C ATOM 723 CG LYS A 48 -5.385 -1.170 -2.149 1.00 0.00 C ATOM 724 CD LYS A 48 -6.894 -0.901 -2.025 1.00 0.00 C ATOM 725 CE LYS A 48 -7.562 -1.804 -0.984 1.00 0.00 C ATOM 726 NZ LYS A 48 -7.568 -3.230 -1.404 1.00 0.00 N ATOM 0 H LYS A 48 -3.315 0.834 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.932 -1.359 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.991 0.853 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.137 -0.295 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.220 -2.183 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.917 -1.106 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.054 0.142 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.369 -1.054 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.039 -1.709 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.587 -1.471 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.029 -3.806 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.089 -3.326 -2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.590 -3.557 -1.537 1.00 0.00 H new ATOM 736 N TYR A 49 -2.127 1.576 -4.290 1.00 0.00 N ATOM 737 CA TYR A 49 -1.638 2.349 -5.431 1.00 0.00 C ATOM 738 C TYR A 49 -0.235 1.968 -5.862 1.00 0.00 C ATOM 739 O TYR A 49 0.000 1.824 -7.064 1.00 0.00 O ATOM 740 CB TYR A 49 -1.741 3.847 -5.145 1.00 0.00 C ATOM 741 CG TYR A 49 -3.066 4.411 -5.607 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.264 3.677 -5.488 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.067 5.649 -6.262 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.439 4.165 -6.088 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.231 6.140 -6.869 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.418 5.387 -6.800 1.00 0.00 C ATOM 747 OH TYR A 49 -6.552 5.874 -7.359 1.00 0.00 O ATOM 0 H TYR A 49 -2.049 2.067 -3.399 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.284 2.102 -6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.623 4.023 -4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.927 4.371 -5.646 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.279 2.747 -4.940 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.159 6.233 -6.300 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.359 3.605 -6.005 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.217 7.088 -7.385 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.357 6.723 -7.809 1.00 0.00 H new ATOM 756 N ARG A 50 0.686 1.719 -4.923 1.00 0.00 N ATOM 757 CA ARG A 50 2.026 1.239 -5.306 1.00 0.00 C ATOM 758 C ARG A 50 1.975 -0.036 -6.161 1.00 0.00 C ATOM 759 O ARG A 50 2.849 -0.232 -7.003 1.00 0.00 O ATOM 760 CB ARG A 50 2.950 1.110 -4.085 1.00 0.00 C ATOM 761 CG ARG A 50 2.427 0.150 -3.006 1.00 0.00 C ATOM 762 CD ARG A 50 3.522 -0.238 -2.009 1.00 0.00 C ATOM 763 NE ARG A 50 3.915 0.894 -1.155 1.00 0.00 N ATOM 764 CZ ARG A 50 5.013 1.620 -1.158 1.00 0.00 C ATOM 765 NH1 ARG A 50 5.957 1.470 -2.044 1.00 0.00 N ATOM 766 NH2 ARG A 50 5.153 2.540 -0.256 1.00 0.00 N ATOM 0 H ARG A 50 0.539 1.836 -3.920 1.00 0.00 H new ATOM 0 HA ARG A 50 2.467 2.000 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.930 0.767 -4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.091 2.096 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.600 0.619 -2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.032 -0.749 -3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.169 -1.058 -1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.394 -0.603 -2.552 1.00 0.00 H new ATOM 0 HE ARG A 50 3.228 1.158 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.862 0.766 -2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.790 2.057 -2.006 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.420 2.690 0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.996 3.114 -0.240 1.00 0.00 H new ATOM 777 N GLU A 51 0.905 -0.831 -6.042 1.00 0.00 N ATOM 778 CA GLU A 51 0.693 -2.037 -6.859 1.00 0.00 C ATOM 779 C GLU A 51 0.378 -1.727 -8.332 1.00 0.00 C ATOM 780 O GLU A 51 0.836 -2.452 -9.220 1.00 0.00 O ATOM 781 CB GLU A 51 -0.448 -2.904 -6.302 1.00 0.00 C ATOM 782 CG GLU A 51 -0.225 -3.417 -4.876 1.00 0.00 C ATOM 783 CD GLU A 51 -1.335 -4.421 -4.511 1.00 0.00 C ATOM 784 OE1 GLU A 51 -1.185 -5.630 -4.823 1.00 0.00 O ATOM 785 OE2 GLU A 51 -2.384 -4.009 -3.958 1.00 0.00 O ATOM 0 H GLU A 51 0.156 -0.656 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 51 1.639 -2.576 -6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.371 -2.324 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.592 -3.759 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.752 -3.895 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.229 -2.583 -4.174 1.00 0.00 H new ATOM 790 N MET A 52 -0.400 -0.671 -8.609 1.00 0.00 N ATOM 791 CA MET A 52 -0.769 -0.290 -9.984 1.00 0.00 C ATOM 792 C MET A 52 0.333 0.509 -10.693 1.00 0.00 C ATOM 793 O MET A 52 0.443 0.453 -11.921 1.00 0.00 O ATOM 794 CB MET A 52 -2.134 0.423 -10.039 1.00 0.00 C ATOM 795 CG MET A 52 -2.150 1.860 -9.502 1.00 0.00 C ATOM 796 SD MET A 52 -3.716 2.753 -9.726 1.00 0.00 S ATOM 797 CE MET A 52 -4.802 1.807 -8.621 1.00 0.00 C ATOM 0 H MET A 52 -0.790 -0.059 -7.893 1.00 0.00 H new ATOM 0 HA MET A 52 -0.875 -1.220 -10.543 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.476 0.436 -11.074 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.855 -0.166 -9.473 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.913 1.836 -8.438 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.356 2.423 -9.993 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.757 2.322 -8.521 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.967 0.813 -9.037 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.334 1.717 -7.641 1.00 0.00 H new ATOM 805 N LEU A 53 1.176 1.221 -9.933 1.00 0.00 N ATOM 806 CA LEU A 53 2.365 1.909 -10.440 1.00 0.00 C ATOM 807 C LEU A 53 3.492 0.921 -10.784 1.00 0.00 C ATOM 808 O LEU A 53 3.899 0.839 -11.946 1.00 0.00 O ATOM 809 CB LEU A 53 2.773 2.969 -9.408 1.00 0.00 C ATOM 810 CG LEU A 53 1.834 4.186 -9.522 1.00 0.00 C ATOM 811 CD1 LEU A 53 1.442 4.708 -8.145 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.577 5.248 -10.320 1.00 0.00 C ATOM 0 H LEU A 53 1.045 1.335 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 53 2.144 2.409 -11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.723 2.551 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.805 3.276 -9.575 1.00 0.00 H new ATOM 0 HG LEU A 53 0.906 3.909 -10.023 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.780 5.566 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.928 3.923 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.338 5.009 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.947 6.131 -10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.496 5.518 -9.799 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.821 4.856 -11.307 1.00 0.00 H new ATOM 823 N GLY A 54 3.963 0.146 -9.803 1.00 0.00 N ATOM 824 CA GLY A 54 4.829 -1.018 -10.034 1.00 0.00 C ATOM 825 C GLY A 54 5.734 -1.473 -8.880 1.00 0.00 C ATOM 826 O GLY A 54 6.686 -2.217 -9.129 1.00 0.00 O ATOM 0 H GLY A 54 3.754 0.308 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.194 -1.859 -10.314 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.464 -0.799 -10.892 1.00 0.00 H new ATOM 830 N ILE A 55 5.497 -1.016 -7.646 1.00 0.00 N ATOM 831 CA ILE A 55 6.408 -1.150 -6.496 1.00 0.00 C ATOM 832 C ILE A 55 5.768 -1.992 -5.366 1.00 0.00 C ATOM 833 O ILE A 55 4.619 -1.744 -4.993 1.00 0.00 O ATOM 834 CB ILE A 55 6.834 0.259 -6.030 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.738 0.928 -7.094 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.602 0.243 -4.698 1.00 0.00 C ATOM 837 CD1 ILE A 55 7.548 2.447 -7.137 1.00 0.00 C ATOM 0 H ILE A 55 4.636 -0.524 -7.408 1.00 0.00 H new ATOM 0 HA ILE A 55 7.304 -1.695 -6.794 1.00 0.00 H new ATOM 0 HB ILE A 55 5.910 0.820 -5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.782 0.699 -6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.516 0.507 -8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.874 1.262 -4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.972 -0.187 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.505 -0.357 -4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.202 2.874 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.511 2.677 -7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.796 2.872 -6.165 1.00 0.00 H new ATOM 848 N PRO A 56 6.494 -2.970 -4.786 1.00 0.00 N ATOM 849 CA PRO A 56 5.975 -3.871 -3.752 1.00 0.00 C ATOM 850 C PRO A 56 5.762 -3.192 -2.386 1.00 0.00 C ATOM 851 O PRO A 56 4.668 -3.280 -1.824 1.00 0.00 O ATOM 852 CB PRO A 56 6.965 -5.038 -3.690 1.00 0.00 C ATOM 853 CG PRO A 56 8.273 -4.451 -4.211 1.00 0.00 C ATOM 854 CD PRO A 56 7.846 -3.348 -5.168 1.00 0.00 C ATOM 0 HA PRO A 56 4.973 -4.212 -4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.075 -5.413 -2.672 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.632 -5.875 -4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.882 -4.056 -3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.872 -5.207 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.521 -2.494 -5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.874 -3.697 -6.200 1.00 0.00 H new ATOM 859 N SER A 57 6.785 -2.517 -1.845 1.00 0.00 N ATOM 860 CA SER A 57 6.718 -1.807 -0.543 1.00 0.00 C ATOM 861 C SER A 57 7.727 -0.664 -0.346 1.00 0.00 C ATOM 862 O SER A 57 7.677 0.060 0.648 1.00 0.00 O ATOM 863 CB SER A 57 6.917 -2.818 0.595 1.00 0.00 C ATOM 864 OG SER A 57 8.265 -3.268 0.661 1.00 0.00 O ATOM 0 H SER A 57 7.696 -2.443 -2.297 1.00 0.00 H new ATOM 0 HA SER A 57 5.733 -1.341 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.638 -2.359 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.254 -3.671 0.446 1.00 0.00 H new ATOM 0 HG SER A 57 8.360 -3.909 1.396 1.00 0.00 H new ATOM 869 N SER A 58 8.690 -0.525 -1.261 1.00 0.00 N ATOM 870 CA SER A 58 9.920 0.293 -1.148 1.00 0.00 C ATOM 871 C SER A 58 10.884 -0.109 -0.016 1.00 0.00 C ATOM 872 O SER A 58 12.053 0.282 -0.052 1.00 0.00 O ATOM 873 CB SER A 58 9.616 1.802 -1.068 1.00 0.00 C ATOM 874 OG SER A 58 8.825 2.258 -2.154 1.00 0.00 O ATOM 0 H SER A 58 8.637 -1.006 -2.159 1.00 0.00 H new ATOM 0 HA SER A 58 10.446 0.076 -2.078 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.099 2.016 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.554 2.357 -1.048 1.00 0.00 H new ATOM 0 HG SER A 58 9.356 2.861 -2.715 1.00 0.00 H new ATOM 879 N ARG A 59 10.461 -0.940 0.947 1.00 0.00 N ATOM 880 CA ARG A 59 11.283 -1.475 2.042 1.00 0.00 C ATOM 881 C ARG A 59 12.024 -2.722 1.590 1.00 0.00 C ATOM 882 O ARG A 59 13.188 -2.901 1.942 1.00 0.00 O ATOM 883 CB ARG A 59 10.388 -1.713 3.276 1.00 0.00 C ATOM 884 CG ARG A 59 11.162 -2.130 4.539 1.00 0.00 C ATOM 885 CD ARG A 59 11.263 -3.651 4.711 1.00 0.00 C ATOM 886 NE ARG A 59 12.030 -4.003 5.922 1.00 0.00 N ATOM 887 CZ ARG A 59 12.432 -5.209 6.283 1.00 0.00 C ATOM 888 NH1 ARG A 59 12.174 -6.269 5.572 1.00 0.00 N ATOM 889 NH2 ARG A 59 13.110 -5.374 7.380 1.00 0.00 N ATOM 0 H ARG A 59 9.497 -1.271 0.986 1.00 0.00 H new ATOM 0 HA ARG A 59 12.050 -0.755 2.328 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.830 -0.801 3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.657 -2.486 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.166 -1.708 4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.673 -1.703 5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.263 -4.079 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.742 -4.087 3.835 1.00 0.00 H new ATOM 0 HE ARG A 59 12.276 -3.234 6.546 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.645 -6.185 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.501 -7.184 5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.334 -4.570 7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.418 -6.307 7.654 1.00 0.00 H new ATOM 900 N GLU A 60 11.386 -3.547 0.760 1.00 0.00 N ATOM 901 CA GLU A 60 12.017 -4.751 0.212 1.00 0.00 C ATOM 902 C GLU A 60 13.017 -4.436 -0.920 1.00 0.00 C ATOM 903 O GLU A 60 13.937 -5.221 -1.174 1.00 0.00 O ATOM 904 CB GLU A 60 10.959 -5.808 -0.149 1.00 0.00 C ATOM 905 CG GLU A 60 10.131 -5.547 -1.414 1.00 0.00 C ATOM 906 CD GLU A 60 10.800 -6.138 -2.672 1.00 0.00 C ATOM 907 OE1 GLU A 60 10.725 -7.375 -2.877 1.00 0.00 O ATOM 908 OE2 GLU A 60 11.383 -5.375 -3.479 1.00 0.00 O ATOM 0 H GLU A 60 10.425 -3.403 0.450 1.00 0.00 H new ATOM 0 HA GLU A 60 12.634 -5.196 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.462 -6.768 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.273 -5.905 0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.138 -5.980 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.997 -4.473 -1.545 1.00 0.00 H new ATOM 913 N ARG A 61 12.894 -3.250 -1.540 1.00 0.00 N ATOM 914 CA ARG A 61 13.876 -2.645 -2.457 1.00 0.00 C ATOM 915 C ARG A 61 15.140 -2.183 -1.721 1.00 0.00 C ATOM 916 O ARG A 61 16.249 -2.387 -2.222 1.00 0.00 O ATOM 917 CB ARG A 61 13.229 -1.460 -3.201 1.00 0.00 C ATOM 918 CG ARG A 61 12.172 -1.939 -4.209 1.00 0.00 C ATOM 919 CD ARG A 61 11.347 -0.806 -4.841 1.00 0.00 C ATOM 920 NE ARG A 61 12.151 0.283 -5.430 1.00 0.00 N ATOM 921 CZ ARG A 61 12.823 0.292 -6.563 1.00 0.00 C ATOM 922 NH1 ARG A 61 12.955 -0.761 -7.320 1.00 0.00 N ATOM 923 NH2 ARG A 61 13.376 1.400 -6.957 1.00 0.00 N ATOM 0 H ARG A 61 12.072 -2.661 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 61 14.179 -3.408 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.767 -0.785 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.999 -0.892 -3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.669 -2.498 -5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.495 -2.631 -3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.708 -1.228 -5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.690 -0.385 -4.080 1.00 0.00 H new ATOM 0 HE ARG A 61 12.192 1.145 -4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.527 -1.645 -7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.486 -0.701 -8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.286 2.244 -6.392 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.900 1.426 -7.832 1.00 0.00 H new ATOM 934 N ARG A 62 14.979 -1.563 -0.545 1.00 0.00 N ATOM 935 CA ARG A 62 16.044 -1.048 0.319 1.00 0.00 C ATOM 936 C ARG A 62 16.865 -2.158 0.997 1.00 0.00 C ATOM 937 O ARG A 62 18.092 -2.175 0.861 1.00 0.00 O ATOM 938 CB ARG A 62 15.363 -0.113 1.329 1.00 0.00 C ATOM 939 CG ARG A 62 16.304 0.410 2.421 1.00 0.00 C ATOM 940 CD ARG A 62 15.805 -0.026 3.798 1.00 0.00 C ATOM 941 NE ARG A 62 16.677 0.507 4.858 1.00 0.00 N ATOM 942 CZ ARG A 62 16.668 0.205 6.142 1.00 0.00 C ATOM 943 NH1 ARG A 62 15.849 -0.676 6.646 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.490 0.801 6.955 1.00 0.00 N ATOM 0 H ARG A 62 14.052 -1.399 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 62 16.784 -0.508 -0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.936 0.735 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.535 -0.643 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.313 0.032 2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.360 1.498 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.784 0.325 3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.779 -1.114 3.854 1.00 0.00 H new ATOM 0 HE ARG A 62 17.372 1.193 4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.185 -1.159 6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.873 -0.882 7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.141 1.501 6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.484 0.568 7.948 1.00 0.00 H new ATOM 955 N ILE A 63 16.198 -3.013 1.782 1.00 0.00 N ATOM 956 CA ILE A 63 16.788 -3.976 2.740 1.00 0.00 C ATOM 957 C ILE A 63 17.850 -4.917 2.133 1.00 0.00 C ATOM 958 O ILE A 63 17.673 -5.415 0.995 1.00 0.00 O ATOM 959 CB ILE A 63 15.658 -4.710 3.506 1.00 0.00 C ATOM 960 CG1 ILE A 63 16.127 -5.363 4.821 1.00 0.00 C ATOM 961 CG2 ILE A 63 14.977 -5.773 2.631 1.00 0.00 C ATOM 962 CD1 ILE A 63 16.488 -4.341 5.907 1.00 0.00 C ATOM 963 OXT ILE A 63 18.887 -5.136 2.800 1.00 0.00 O ATOM 0 H ILE A 63 15.179 -3.060 1.771 1.00 0.00 H new ATOM 0 HA ILE A 63 17.369 -3.403 3.462 1.00 0.00 H new ATOM 0 HB ILE A 63 14.941 -3.930 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 63 15.340 -6.018 5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 63 16.995 -5.990 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 63 14.191 -6.266 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 63 14.542 -5.297 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 63 15.714 -6.512 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 63 16.810 -4.865 6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.295 -3.701 5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 63 15.615 -3.730 6.136 1.00 0.00 H new