USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 39 THR OG1 : rot 162:sc= 0.5 USER MOD Set 1.2: A 45 THR OG1 : rot 140:sc= 0.0593 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.92) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.08) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= 0.898 (180deg=0.616) USER MOD Single : A 26 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-6.1!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 38:sc= 0.0601 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.9! C(o=-3.9!,f=-13!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.346 11.053 4.486 1.00 0.00 N ATOM 2 CA GLY A 1 21.481 9.637 4.194 1.00 0.00 C ATOM 3 C GLY A 1 22.569 9.394 3.145 1.00 0.00 C ATOM 4 O GLY A 1 23.752 9.333 3.476 1.00 0.00 O ATOM 0 H1 GLY A 1 20.602 11.191 5.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.248 11.420 4.851 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.091 11.564 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.725 9.095 5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.530 9.244 3.834 1.00 0.00 H new ATOM 8 N SER A 2 22.129 9.262 1.902 1.00 0.00 N ATOM 9 CA SER A 2 23.049 9.028 0.803 1.00 0.00 C ATOM 10 C SER A 2 22.978 10.185 -0.195 1.00 0.00 C ATOM 11 O SER A 2 21.895 10.551 -0.649 1.00 0.00 O ATOM 12 CB SER A 2 22.746 7.702 0.102 1.00 0.00 C ATOM 13 OG SER A 2 23.738 6.716 0.372 1.00 0.00 O ATOM 0 H SER A 2 21.147 9.313 1.632 1.00 0.00 H new ATOM 0 HA SER A 2 24.059 8.969 1.210 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.772 7.335 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.682 7.867 -0.974 1.00 0.00 H new ATOM 0 HG SER A 2 23.507 5.884 -0.092 1.00 0.00 H new ATOM 18 N SER A 3 24.145 10.727 -0.508 1.00 0.00 N ATOM 19 CA SER A 3 24.228 11.836 -1.444 1.00 0.00 C ATOM 20 C SER A 3 23.493 11.483 -2.739 1.00 0.00 C ATOM 21 O SER A 3 23.990 10.697 -3.545 1.00 0.00 O ATOM 22 CB SER A 3 25.685 12.196 -1.743 1.00 0.00 C ATOM 23 OG SER A 3 25.967 13.563 -1.453 1.00 0.00 O ATOM 0 H SER A 3 25.041 10.419 -0.130 1.00 0.00 H new ATOM 0 HA SER A 3 23.753 12.705 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.344 11.557 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.900 11.996 -2.793 1.00 0.00 H new ATOM 0 HG SER A 3 26.907 13.753 -1.655 1.00 0.00 H new ATOM 28 N GLY A 4 22.322 12.080 -2.898 1.00 0.00 N ATOM 29 CA GLY A 4 21.513 11.840 -4.081 1.00 0.00 C ATOM 30 C GLY A 4 20.553 13.004 -4.336 1.00 0.00 C ATOM 31 O GLY A 4 20.579 14.003 -3.617 1.00 0.00 O ATOM 0 H GLY A 4 21.913 12.730 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.161 11.702 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.946 10.917 -3.957 1.00 0.00 H new ATOM 35 N SER A 5 19.730 12.837 -5.361 1.00 0.00 N ATOM 36 CA SER A 5 18.764 13.862 -5.719 1.00 0.00 C ATOM 37 C SER A 5 17.359 13.425 -5.298 1.00 0.00 C ATOM 38 O SER A 5 16.844 12.421 -5.787 1.00 0.00 O ATOM 39 CB SER A 5 18.801 14.153 -7.220 1.00 0.00 C ATOM 40 OG SER A 5 19.331 15.447 -7.499 1.00 0.00 O ATOM 0 H SER A 5 19.712 12.008 -5.955 1.00 0.00 H new ATOM 0 HA SER A 5 19.027 14.779 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.406 13.397 -7.721 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.794 14.078 -7.629 1.00 0.00 H new ATOM 0 HG SER A 5 19.340 15.595 -8.468 1.00 0.00 H new ATOM 45 N SER A 6 16.778 14.203 -4.396 1.00 0.00 N ATOM 46 CA SER A 6 15.442 13.910 -3.904 1.00 0.00 C ATOM 47 C SER A 6 14.673 15.211 -3.670 1.00 0.00 C ATOM 48 O SER A 6 15.256 16.294 -3.699 1.00 0.00 O ATOM 49 CB SER A 6 15.499 13.087 -2.615 1.00 0.00 C ATOM 50 OG SER A 6 15.324 11.694 -2.863 1.00 0.00 O ATOM 0 H SER A 6 17.208 15.036 -3.993 1.00 0.00 H new ATOM 0 HA SER A 6 14.921 13.319 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.458 13.250 -2.123 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.726 13.433 -1.929 1.00 0.00 H new ATOM 0 HG SER A 6 15.368 11.203 -2.016 1.00 0.00 H new ATOM 55 N GLY A 7 13.377 15.062 -3.442 1.00 0.00 N ATOM 56 CA GLY A 7 12.522 16.213 -3.203 1.00 0.00 C ATOM 57 C GLY A 7 12.051 16.252 -1.749 1.00 0.00 C ATOM 58 O GLY A 7 12.529 17.067 -0.959 1.00 0.00 O ATOM 0 H GLY A 7 12.898 14.162 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.064 17.129 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.659 16.174 -3.868 1.00 0.00 H new ATOM 62 N SER A 8 11.120 15.363 -1.437 1.00 0.00 N ATOM 63 CA SER A 8 10.579 15.286 -0.090 1.00 0.00 C ATOM 64 C SER A 8 9.252 14.527 -0.102 1.00 0.00 C ATOM 65 O SER A 8 9.065 13.583 0.664 1.00 0.00 O ATOM 66 CB SER A 8 10.387 16.682 0.507 1.00 0.00 C ATOM 67 OG SER A 8 9.128 16.814 1.161 1.00 0.00 O ATOM 0 H SER A 8 10.726 14.689 -2.094 1.00 0.00 H new ATOM 0 HA SER A 8 11.292 14.748 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.188 16.886 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.465 17.428 -0.284 1.00 0.00 H new ATOM 0 HG SER A 8 9.044 17.718 1.530 1.00 0.00 H new ATOM 72 N PRO A 9 8.339 14.977 -1.004 1.00 0.00 N ATOM 73 CA PRO A 9 7.034 14.351 -1.126 1.00 0.00 C ATOM 74 C PRO A 9 7.136 13.007 -1.850 1.00 0.00 C ATOM 75 O PRO A 9 7.029 12.947 -3.075 1.00 0.00 O ATOM 76 CB PRO A 9 6.179 15.363 -1.871 1.00 0.00 C ATOM 77 CG PRO A 9 7.153 16.316 -2.544 1.00 0.00 C ATOM 78 CD PRO A 9 8.525 16.092 -1.928 1.00 0.00 C ATOM 0 HA PRO A 9 6.591 14.111 -0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.543 14.871 -2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.520 15.897 -1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.183 16.135 -3.619 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.835 17.349 -2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.267 15.855 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.876 16.983 -1.408 1.00 0.00 H new ATOM 83 N ASP A 10 7.343 11.961 -1.064 1.00 0.00 N ATOM 84 CA ASP A 10 7.461 10.622 -1.614 1.00 0.00 C ATOM 85 C ASP A 10 6.156 9.861 -1.377 1.00 0.00 C ATOM 86 O ASP A 10 5.938 9.315 -0.296 1.00 0.00 O ATOM 87 CB ASP A 10 8.591 9.846 -0.936 1.00 0.00 C ATOM 88 CG ASP A 10 8.520 9.802 0.592 1.00 0.00 C ATOM 89 OD1 ASP A 10 8.605 10.894 1.196 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.383 8.678 1.121 1.00 0.00 O ATOM 0 H ASP A 10 7.432 12.014 -0.049 1.00 0.00 H new ATOM 0 HA ASP A 10 7.674 10.713 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.587 8.824 -1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.543 10.290 -1.228 1.00 0.00 H new ATOM 94 N VAL A 11 5.320 9.847 -2.405 1.00 0.00 N ATOM 95 CA VAL A 11 4.042 9.162 -2.322 1.00 0.00 C ATOM 96 C VAL A 11 3.854 8.290 -3.565 1.00 0.00 C ATOM 97 O VAL A 11 2.756 8.215 -4.114 1.00 0.00 O ATOM 98 CB VAL A 11 2.914 10.177 -2.128 1.00 0.00 C ATOM 99 CG1 VAL A 11 1.589 9.475 -1.832 1.00 0.00 C ATOM 100 CG2 VAL A 11 3.263 11.179 -1.025 1.00 0.00 C ATOM 0 H VAL A 11 5.503 10.300 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 11 4.019 8.502 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 11 2.798 10.731 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.804 10.220 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.330 8.821 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.686 8.883 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.445 11.890 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.420 10.647 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.173 11.715 -1.295 1.00 0.00 H new ATOM 110 N GLN A 12 4.942 7.654 -3.973 1.00 0.00 N ATOM 111 CA GLN A 12 4.911 6.790 -5.141 1.00 0.00 C ATOM 112 C GLN A 12 4.497 5.373 -4.743 1.00 0.00 C ATOM 113 O GLN A 12 4.646 4.980 -3.586 1.00 0.00 O ATOM 114 CB GLN A 12 6.264 6.786 -5.857 1.00 0.00 C ATOM 115 CG GLN A 12 6.367 7.953 -6.841 1.00 0.00 C ATOM 116 CD GLN A 12 6.282 7.459 -8.286 1.00 0.00 C ATOM 117 OE1 GLN A 12 6.788 6.408 -8.642 1.00 0.00 O ATOM 118 NE2 GLN A 12 5.614 8.276 -9.098 1.00 0.00 N ATOM 0 H GLN A 12 5.851 7.720 -3.515 1.00 0.00 H new ATOM 0 HA GLN A 12 4.170 7.181 -5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.068 6.852 -5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.395 5.844 -6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.566 8.667 -6.649 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.308 8.481 -6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.215 9.142 -8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.501 8.036 -10.083 1.00 0.00 H new ATOM 125 N LEU A 13 3.985 4.642 -5.723 1.00 0.00 N ATOM 126 CA LEU A 13 3.549 3.276 -5.489 1.00 0.00 C ATOM 127 C LEU A 13 4.551 2.575 -4.569 1.00 0.00 C ATOM 128 O LEU A 13 4.168 1.992 -3.557 1.00 0.00 O ATOM 129 CB LEU A 13 3.321 2.552 -6.816 1.00 0.00 C ATOM 130 CG LEU A 13 1.932 1.940 -7.017 1.00 0.00 C ATOM 131 CD1 LEU A 13 1.393 2.251 -8.415 1.00 0.00 C ATOM 132 CD2 LEU A 13 1.949 0.438 -6.729 1.00 0.00 C ATOM 0 H LEU A 13 3.863 4.970 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 13 2.586 3.266 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.507 3.255 -7.628 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.062 1.758 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 13 1.249 2.397 -6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.405 1.805 -8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.321 3.331 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.068 1.839 -9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.950 0.027 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.649 -0.054 -7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.260 0.269 -5.698 1.00 0.00 H new ATOM 143 N ALA A 14 5.816 2.656 -4.956 1.00 0.00 N ATOM 144 CA ALA A 14 6.877 2.036 -4.180 1.00 0.00 C ATOM 145 C ALA A 14 6.619 2.275 -2.691 1.00 0.00 C ATOM 146 O ALA A 14 6.463 1.326 -1.925 1.00 0.00 O ATOM 147 CB ALA A 14 8.230 2.588 -4.634 1.00 0.00 C ATOM 0 H ALA A 14 6.130 3.141 -5.796 1.00 0.00 H new ATOM 0 HA ALA A 14 6.893 0.958 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.026 2.123 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.377 2.367 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.252 3.667 -4.482 1.00 0.00 H new ATOM 153 N THR A 15 6.584 3.549 -2.326 1.00 0.00 N ATOM 154 CA THR A 15 6.348 3.924 -0.942 1.00 0.00 C ATOM 155 C THR A 15 5.100 3.222 -0.404 1.00 0.00 C ATOM 156 O THR A 15 5.170 2.496 0.585 1.00 0.00 O ATOM 157 CB THR A 15 6.262 5.450 -0.875 1.00 0.00 C ATOM 158 OG1 THR A 15 7.602 5.883 -1.098 1.00 0.00 O ATOM 159 CG2 THR A 15 5.938 5.957 0.532 1.00 0.00 C ATOM 0 H THR A 15 6.715 4.334 -2.964 1.00 0.00 H new ATOM 0 HA THR A 15 7.167 3.600 -0.299 1.00 0.00 H new ATOM 0 HB THR A 15 5.502 5.801 -1.572 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.638 6.862 -1.073 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.889 7.046 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.978 5.553 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.716 5.634 1.223 1.00 0.00 H new ATOM 167 N LEU A 16 3.986 3.463 -1.081 1.00 0.00 N ATOM 168 CA LEU A 16 2.724 2.862 -0.683 1.00 0.00 C ATOM 169 C LEU A 16 2.932 1.367 -0.435 1.00 0.00 C ATOM 170 O LEU A 16 2.801 0.897 0.694 1.00 0.00 O ATOM 171 CB LEU A 16 1.636 3.170 -1.713 1.00 0.00 C ATOM 172 CG LEU A 16 1.415 4.649 -2.034 1.00 0.00 C ATOM 173 CD1 LEU A 16 0.304 4.826 -3.071 1.00 0.00 C ATOM 174 CD2 LEU A 16 1.142 5.452 -0.760 1.00 0.00 C ATOM 0 H LEU A 16 3.931 4.066 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 16 2.374 3.295 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.883 2.651 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.695 2.752 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 16 2.331 5.043 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.168 5.887 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.578 4.307 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.626 4.411 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.988 6.500 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.249 5.064 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.994 5.365 -0.085 1.00 0.00 H new ATOM 185 N ALA A 17 3.251 0.661 -1.510 1.00 0.00 N ATOM 186 CA ALA A 17 3.478 -0.772 -1.424 1.00 0.00 C ATOM 187 C ALA A 17 4.247 -1.086 -0.138 1.00 0.00 C ATOM 188 O ALA A 17 3.988 -2.098 0.512 1.00 0.00 O ATOM 189 CB ALA A 17 4.217 -1.249 -2.676 1.00 0.00 C ATOM 0 H ALA A 17 3.358 1.054 -2.445 1.00 0.00 H new ATOM 0 HA ALA A 17 2.530 -1.308 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.387 -2.324 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.617 -1.029 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.175 -0.734 -2.751 1.00 0.00 H new ATOM 195 N GLN A 18 5.176 -0.199 0.189 1.00 0.00 N ATOM 196 CA GLN A 18 5.984 -0.370 1.385 1.00 0.00 C ATOM 197 C GLN A 18 5.094 -0.383 2.629 1.00 0.00 C ATOM 198 O GLN A 18 5.171 -1.303 3.441 1.00 0.00 O ATOM 199 CB GLN A 18 7.050 0.724 1.485 1.00 0.00 C ATOM 200 CG GLN A 18 8.441 0.116 1.676 1.00 0.00 C ATOM 201 CD GLN A 18 9.493 0.894 0.884 1.00 0.00 C ATOM 202 OE1 GLN A 18 9.428 1.020 -0.328 1.00 0.00 O ATOM 203 NE2 GLN A 18 10.464 1.408 1.633 1.00 0.00 N ATOM 0 H GLN A 18 5.387 0.639 -0.353 1.00 0.00 H new ATOM 0 HA GLN A 18 6.498 -1.329 1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.036 1.334 0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.820 1.386 2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.701 0.120 2.734 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.434 -0.925 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.459 1.265 2.643 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.214 1.945 1.198 1.00 0.00 H new ATOM 210 N ARG A 19 4.270 0.648 2.739 1.00 0.00 N ATOM 211 CA ARG A 19 3.365 0.765 3.871 1.00 0.00 C ATOM 212 C ARG A 19 2.355 -0.383 3.865 1.00 0.00 C ATOM 213 O ARG A 19 2.391 -1.251 4.735 1.00 0.00 O ATOM 214 CB ARG A 19 2.615 2.097 3.840 1.00 0.00 C ATOM 215 CG ARG A 19 3.506 3.242 4.326 1.00 0.00 C ATOM 216 CD ARG A 19 3.224 3.571 5.793 1.00 0.00 C ATOM 217 NE ARG A 19 4.242 4.515 6.306 1.00 0.00 N ATOM 218 CZ ARG A 19 5.475 4.154 6.688 1.00 0.00 C ATOM 219 NH1 ARG A 19 5.849 2.870 6.620 1.00 0.00 N ATOM 220 NH2 ARG A 19 6.332 5.079 7.140 1.00 0.00 N ATOM 0 H ARG A 19 4.209 1.410 2.064 1.00 0.00 H new ATOM 0 HA ARG A 19 3.964 0.720 4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.274 2.303 2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.726 2.032 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.554 2.968 4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.335 4.126 3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.230 4.007 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.232 2.657 6.387 1.00 0.00 H new ATOM 0 HE ARG A 19 3.990 5.501 6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.195 2.166 6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.787 2.596 6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.046 6.057 7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.271 4.806 7.431 1.00 0.00 H new ATOM 231 N VAL A 20 1.475 -0.349 2.873 1.00 0.00 N ATOM 232 CA VAL A 20 0.457 -1.377 2.742 1.00 0.00 C ATOM 233 C VAL A 20 1.068 -2.740 3.069 1.00 0.00 C ATOM 234 O VAL A 20 0.430 -3.574 3.710 1.00 0.00 O ATOM 235 CB VAL A 20 -0.167 -1.320 1.346 1.00 0.00 C ATOM 236 CG1 VAL A 20 -1.375 -0.380 1.324 1.00 0.00 C ATOM 237 CG2 VAL A 20 0.869 -0.906 0.299 1.00 0.00 C ATOM 0 H VAL A 20 1.447 0.374 2.154 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.352 -1.206 3.452 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.516 -2.321 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.800 -0.357 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.126 -0.737 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.060 0.624 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.400 -0.873 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.262 0.080 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.684 -1.629 0.288 1.00 0.00 H new ATOM 247 N LYS A 21 2.298 -2.927 2.611 1.00 0.00 N ATOM 248 CA LYS A 21 3.002 -4.176 2.846 1.00 0.00 C ATOM 249 C LYS A 21 3.314 -4.307 4.339 1.00 0.00 C ATOM 250 O LYS A 21 3.035 -5.339 4.946 1.00 0.00 O ATOM 251 CB LYS A 21 4.238 -4.271 1.949 1.00 0.00 C ATOM 252 CG LYS A 21 5.037 -5.540 2.249 1.00 0.00 C ATOM 253 CD LYS A 21 4.562 -6.705 1.379 1.00 0.00 C ATOM 254 CE LYS A 21 5.482 -7.918 1.535 1.00 0.00 C ATOM 255 NZ LYS A 21 5.269 -8.876 0.427 1.00 0.00 N ATOM 0 H LYS A 21 2.824 -2.234 2.079 1.00 0.00 H new ATOM 0 HA LYS A 21 2.374 -5.025 2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.933 -4.268 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.869 -3.395 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.097 -5.357 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.931 -5.801 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.544 -6.979 1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.536 -6.396 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.522 -7.593 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.289 -8.408 2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.684 -9.796 0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.249 -8.991 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.724 -8.515 -0.436 1.00 0.00 H new ATOM 265 N GLU A 22 3.889 -3.247 4.886 1.00 0.00 N ATOM 266 CA GLU A 22 4.241 -3.230 6.295 1.00 0.00 C ATOM 267 C GLU A 22 3.084 -3.768 7.139 1.00 0.00 C ATOM 268 O GLU A 22 3.287 -4.603 8.018 1.00 0.00 O ATOM 269 CB GLU A 22 4.640 -1.823 6.745 1.00 0.00 C ATOM 270 CG GLU A 22 6.158 -1.638 6.686 1.00 0.00 C ATOM 271 CD GLU A 22 6.846 -2.389 7.830 1.00 0.00 C ATOM 272 OE1 GLU A 22 6.394 -2.207 8.981 1.00 0.00 O ATOM 273 OE2 GLU A 22 7.807 -3.128 7.525 1.00 0.00 O ATOM 0 H GLU A 22 4.120 -2.393 4.378 1.00 0.00 H new ATOM 0 HA GLU A 22 5.104 -3.880 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.155 -1.083 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.288 -1.649 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.535 -2.000 5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.401 -0.577 6.744 1.00 0.00 H new ATOM 278 N VAL A 23 1.894 -3.266 6.841 1.00 0.00 N ATOM 279 CA VAL A 23 0.704 -3.685 7.560 1.00 0.00 C ATOM 280 C VAL A 23 0.376 -5.134 7.195 1.00 0.00 C ATOM 281 O VAL A 23 0.108 -5.954 8.072 1.00 0.00 O ATOM 282 CB VAL A 23 -0.449 -2.721 7.272 1.00 0.00 C ATOM 283 CG1 VAL A 23 -1.753 -3.223 7.895 1.00 0.00 C ATOM 284 CG2 VAL A 23 -0.117 -1.309 7.759 1.00 0.00 C ATOM 0 H VAL A 23 1.729 -2.573 6.111 1.00 0.00 H new ATOM 0 HA VAL A 23 0.877 -3.652 8.636 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.589 -2.679 6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.556 -2.519 7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.002 -4.199 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.631 -3.308 8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.953 -0.644 7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.063 -1.328 8.834 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.776 -0.948 7.248 1.00 0.00 H new ATOM 294 N LEU A 24 0.406 -5.405 5.898 1.00 0.00 N ATOM 295 CA LEU A 24 0.116 -6.741 5.406 1.00 0.00 C ATOM 296 C LEU A 24 1.305 -7.248 4.587 1.00 0.00 C ATOM 297 O LEU A 24 1.369 -7.030 3.378 1.00 0.00 O ATOM 298 CB LEU A 24 -1.209 -6.754 4.639 1.00 0.00 C ATOM 299 CG LEU A 24 -2.391 -6.073 5.331 1.00 0.00 C ATOM 300 CD1 LEU A 24 -2.941 -4.928 4.479 1.00 0.00 C ATOM 301 CD2 LEU A 24 -3.474 -7.090 5.693 1.00 0.00 C ATOM 0 H LEU A 24 0.627 -4.722 5.173 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.017 -7.432 6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.052 -6.272 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.479 -7.791 4.438 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.035 -5.636 6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.780 -4.461 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.158 -4.187 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.277 -5.318 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.303 -6.580 6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.833 -7.577 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.059 -7.839 6.367 1.00 0.00 H new ATOM 312 N PRO A 25 2.241 -7.934 5.297 1.00 0.00 N ATOM 313 CA PRO A 25 3.424 -8.473 4.649 1.00 0.00 C ATOM 314 C PRO A 25 3.081 -9.720 3.832 1.00 0.00 C ATOM 315 O PRO A 25 3.582 -9.897 2.723 1.00 0.00 O ATOM 316 CB PRO A 25 4.399 -8.754 5.782 1.00 0.00 C ATOM 317 CG PRO A 25 3.562 -8.800 7.050 1.00 0.00 C ATOM 318 CD PRO A 25 2.198 -8.211 6.730 1.00 0.00 C ATOM 0 HA PRO A 25 3.861 -7.782 3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.920 -9.698 5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.160 -7.976 5.844 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.461 -9.826 7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.045 -8.234 7.847 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.398 -8.910 6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.014 -7.303 7.304 1.00 0.00 H new ATOM 323 N HIS A 26 2.230 -10.553 4.413 1.00 0.00 N ATOM 324 CA HIS A 26 1.814 -11.778 3.752 1.00 0.00 C ATOM 325 C HIS A 26 1.567 -11.503 2.267 1.00 0.00 C ATOM 326 O HIS A 26 2.248 -12.060 1.407 1.00 0.00 O ATOM 327 CB HIS A 26 0.597 -12.387 4.452 1.00 0.00 C ATOM 328 CG HIS A 26 -0.351 -11.366 5.035 1.00 0.00 C ATOM 329 ND1 HIS A 26 -0.174 -10.810 6.290 1.00 0.00 N ATOM 330 CD2 HIS A 26 -1.484 -10.807 4.522 1.00 0.00 C ATOM 331 CE1 HIS A 26 -1.163 -9.957 6.512 1.00 0.00 C ATOM 332 NE2 HIS A 26 -1.974 -9.956 5.415 1.00 0.00 N ATOM 0 H HIS A 26 1.817 -10.404 5.334 1.00 0.00 H new ATOM 0 HA HIS A 26 2.610 -12.520 3.821 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.053 -13.007 3.739 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.941 -13.045 5.250 1.00 0.00 H new ATOM 0 HD1 HIS A 26 0.588 -11.021 6.934 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.911 -11.021 3.553 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.303 -9.366 7.405 1.00 0.00 H new ATOM 339 N VAL A 27 0.591 -10.644 2.012 1.00 0.00 N ATOM 340 CA VAL A 27 0.245 -10.289 0.646 1.00 0.00 C ATOM 341 C VAL A 27 1.517 -9.906 -0.114 1.00 0.00 C ATOM 342 O VAL A 27 2.417 -9.282 0.447 1.00 0.00 O ATOM 343 CB VAL A 27 -0.807 -9.179 0.645 1.00 0.00 C ATOM 344 CG1 VAL A 27 -0.378 -8.015 1.541 1.00 0.00 C ATOM 345 CG2 VAL A 27 -1.096 -8.698 -0.779 1.00 0.00 C ATOM 0 H VAL A 27 0.029 -10.184 2.728 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.199 -11.141 0.131 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.730 -9.592 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.144 -7.240 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.248 -8.371 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.564 -7.604 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.847 -7.909 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.180 -8.311 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.467 -9.531 -1.376 1.00 0.00 H new ATOM 355 N PRO A 28 1.553 -10.307 -1.413 1.00 0.00 N ATOM 356 CA PRO A 28 2.700 -10.013 -2.256 1.00 0.00 C ATOM 357 C PRO A 28 2.710 -8.542 -2.673 1.00 0.00 C ATOM 358 O PRO A 28 1.694 -7.856 -2.571 1.00 0.00 O ATOM 359 CB PRO A 28 2.576 -10.965 -3.434 1.00 0.00 C ATOM 360 CG PRO A 28 1.128 -11.429 -3.445 1.00 0.00 C ATOM 361 CD PRO A 28 0.507 -11.048 -2.111 1.00 0.00 C ATOM 0 HA PRO A 28 3.650 -10.160 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.833 -10.466 -4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.256 -11.810 -3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.584 -10.963 -4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.074 -12.507 -3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.385 -10.438 -2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.205 -11.931 -1.548 1.00 0.00 H new ATOM 366 N LEU A 29 3.871 -8.099 -3.135 1.00 0.00 N ATOM 367 CA LEU A 29 4.027 -6.722 -3.569 1.00 0.00 C ATOM 368 C LEU A 29 3.447 -6.565 -4.977 1.00 0.00 C ATOM 369 O LEU A 29 2.809 -5.559 -5.281 1.00 0.00 O ATOM 370 CB LEU A 29 5.490 -6.286 -3.455 1.00 0.00 C ATOM 371 CG LEU A 29 5.969 -5.910 -2.052 1.00 0.00 C ATOM 372 CD1 LEU A 29 7.497 -5.950 -1.965 1.00 0.00 C ATOM 373 CD2 LEU A 29 5.406 -4.552 -1.625 1.00 0.00 C ATOM 0 H LEU A 29 4.712 -8.670 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 29 3.467 -6.052 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.120 -7.094 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.646 -5.431 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 29 5.587 -6.652 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.811 -5.679 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.848 -6.956 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.921 -5.244 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.762 -4.309 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.738 -3.784 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.317 -4.594 -1.622 1.00 0.00 H new ATOM 384 N GLY A 30 3.691 -7.577 -5.798 1.00 0.00 N ATOM 385 CA GLY A 30 3.201 -7.565 -7.165 1.00 0.00 C ATOM 386 C GLY A 30 1.708 -7.233 -7.211 1.00 0.00 C ATOM 387 O GLY A 30 1.279 -6.392 -7.998 1.00 0.00 O ATOM 0 H GLY A 30 4.221 -8.410 -5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.758 -6.832 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.375 -8.537 -7.626 1.00 0.00 H new ATOM 391 N VAL A 31 0.957 -7.912 -6.355 1.00 0.00 N ATOM 392 CA VAL A 31 -0.478 -7.700 -6.287 1.00 0.00 C ATOM 393 C VAL A 31 -0.760 -6.341 -5.645 1.00 0.00 C ATOM 394 O VAL A 31 -1.540 -5.550 -6.172 1.00 0.00 O ATOM 395 CB VAL A 31 -1.144 -8.861 -5.545 1.00 0.00 C ATOM 396 CG1 VAL A 31 -1.085 -8.650 -4.032 1.00 0.00 C ATOM 397 CG2 VAL A 31 -2.587 -9.056 -6.015 1.00 0.00 C ATOM 0 H VAL A 31 1.316 -8.609 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.908 -7.681 -7.288 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.589 -9.770 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.565 -9.489 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.044 -8.583 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.603 -7.727 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.037 -9.887 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.158 -8.147 -5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.596 -9.273 -7.083 1.00 0.00 H new ATOM 407 N ILE A 32 -0.107 -6.110 -4.515 1.00 0.00 N ATOM 408 CA ILE A 32 -0.277 -4.860 -3.795 1.00 0.00 C ATOM 409 C ILE A 32 -0.211 -3.693 -4.784 1.00 0.00 C ATOM 410 O ILE A 32 -1.094 -2.836 -4.796 1.00 0.00 O ATOM 411 CB ILE A 32 0.739 -4.756 -2.655 1.00 0.00 C ATOM 412 CG1 ILE A 32 0.303 -5.599 -1.455 1.00 0.00 C ATOM 413 CG2 ILE A 32 0.985 -3.295 -2.271 1.00 0.00 C ATOM 414 CD1 ILE A 32 1.512 -6.034 -0.623 1.00 0.00 C ATOM 0 H ILE A 32 0.541 -6.768 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.259 -4.824 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 32 1.689 -5.160 -3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.384 -5.025 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.240 -6.478 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.711 -3.249 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.371 -2.752 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.048 -2.841 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.175 -6.632 0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.185 -6.628 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.039 -5.152 -0.258 1.00 0.00 H new ATOM 425 N GLN A 33 0.841 -3.699 -5.588 1.00 0.00 N ATOM 426 CA GLN A 33 1.033 -2.653 -6.578 1.00 0.00 C ATOM 427 C GLN A 33 -0.276 -2.381 -7.323 1.00 0.00 C ATOM 428 O GLN A 33 -0.812 -1.276 -7.260 1.00 0.00 O ATOM 429 CB GLN A 33 2.152 -3.019 -7.554 1.00 0.00 C ATOM 430 CG GLN A 33 3.524 -2.892 -6.887 1.00 0.00 C ATOM 431 CD GLN A 33 4.619 -3.502 -7.764 1.00 0.00 C ATOM 432 OE1 GLN A 33 4.610 -3.393 -8.979 1.00 0.00 O ATOM 433 NE2 GLN A 33 5.560 -4.148 -7.082 1.00 0.00 N ATOM 0 H GLN A 33 1.570 -4.412 -5.574 1.00 0.00 H new ATOM 0 HA GLN A 33 1.331 -1.741 -6.060 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.010 -4.039 -7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.106 -2.367 -8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.746 -1.841 -6.701 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.509 -3.391 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.507 -4.201 -6.065 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.335 -4.590 -7.576 1.00 0.00 H new ATOM 440 N ARG A 34 -0.753 -3.408 -8.010 1.00 0.00 N ATOM 441 CA ARG A 34 -1.988 -3.294 -8.767 1.00 0.00 C ATOM 442 C ARG A 34 -3.151 -2.949 -7.834 1.00 0.00 C ATOM 443 O ARG A 34 -4.009 -2.138 -8.180 1.00 0.00 O ATOM 444 CB ARG A 34 -2.305 -4.597 -9.504 1.00 0.00 C ATOM 445 CG ARG A 34 -2.669 -4.325 -10.965 1.00 0.00 C ATOM 446 CD ARG A 34 -3.195 -5.591 -11.644 1.00 0.00 C ATOM 447 NE ARG A 34 -2.512 -5.792 -12.941 1.00 0.00 N ATOM 448 CZ ARG A 34 -2.800 -5.105 -14.056 1.00 0.00 C ATOM 449 NH1 ARG A 34 -3.760 -4.171 -14.038 1.00 0.00 N ATOM 450 NH2 ARG A 34 -2.128 -5.355 -15.188 1.00 0.00 N ATOM 0 H ARG A 34 -0.306 -4.324 -8.058 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.856 -2.498 -9.500 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.444 -5.264 -9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.131 -5.108 -9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.424 -3.541 -11.015 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.793 -3.959 -11.500 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.030 -6.454 -10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.271 -5.510 -11.799 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.776 -6.497 -12.990 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.272 -3.982 -13.176 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.979 -3.648 -14.886 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.398 -6.067 -15.201 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.346 -4.833 -16.037 1.00 0.00 H new ATOM 461 N ASP A 35 -3.142 -3.582 -6.670 1.00 0.00 N ATOM 462 CA ASP A 35 -4.185 -3.351 -5.684 1.00 0.00 C ATOM 463 C ASP A 35 -4.228 -1.863 -5.331 1.00 0.00 C ATOM 464 O ASP A 35 -5.301 -1.304 -5.113 1.00 0.00 O ATOM 465 CB ASP A 35 -3.912 -4.134 -4.399 1.00 0.00 C ATOM 466 CG ASP A 35 -4.146 -5.643 -4.500 1.00 0.00 C ATOM 467 OD1 ASP A 35 -5.131 -6.021 -5.170 1.00 0.00 O ATOM 468 OD2 ASP A 35 -3.335 -6.384 -3.903 1.00 0.00 O ATOM 0 H ASP A 35 -2.429 -4.255 -6.387 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.132 -3.680 -6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.879 -3.961 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.546 -3.735 -3.607 1.00 0.00 H new ATOM 472 N LEU A 36 -3.047 -1.264 -5.287 1.00 0.00 N ATOM 473 CA LEU A 36 -2.936 0.148 -4.964 1.00 0.00 C ATOM 474 C LEU A 36 -3.586 0.973 -6.076 1.00 0.00 C ATOM 475 O LEU A 36 -4.015 2.103 -5.844 1.00 0.00 O ATOM 476 CB LEU A 36 -1.477 0.523 -4.694 1.00 0.00 C ATOM 477 CG LEU A 36 -0.901 0.056 -3.355 1.00 0.00 C ATOM 478 CD1 LEU A 36 0.603 0.327 -3.281 1.00 0.00 C ATOM 479 CD2 LEU A 36 -1.656 0.686 -2.184 1.00 0.00 C ATOM 0 H LEU A 36 -2.159 -1.731 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.475 0.372 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.863 0.111 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.385 1.608 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.037 -1.023 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.987 -0.014 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.109 -0.208 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.786 1.396 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.227 0.338 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.574 1.771 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.706 0.399 -2.232 1.00 0.00 H new ATOM 490 N ALA A 37 -3.640 0.378 -7.258 1.00 0.00 N ATOM 491 CA ALA A 37 -4.232 1.045 -8.405 1.00 0.00 C ATOM 492 C ALA A 37 -5.756 0.965 -8.306 1.00 0.00 C ATOM 493 O ALA A 37 -6.459 1.876 -8.742 1.00 0.00 O ATOM 494 CB ALA A 37 -3.698 0.414 -9.693 1.00 0.00 C ATOM 0 H ALA A 37 -3.283 -0.559 -7.446 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.958 2.100 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.142 0.914 -10.554 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.614 0.523 -9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.958 -0.644 -9.714 1.00 0.00 H new ATOM 500 N LYS A 38 -6.224 -0.132 -7.728 1.00 0.00 N ATOM 501 CA LYS A 38 -7.652 -0.342 -7.565 1.00 0.00 C ATOM 502 C LYS A 38 -8.224 0.751 -6.660 1.00 0.00 C ATOM 503 O LYS A 38 -9.263 1.334 -6.964 1.00 0.00 O ATOM 504 CB LYS A 38 -7.931 -1.762 -7.067 1.00 0.00 C ATOM 505 CG LYS A 38 -7.184 -2.796 -7.912 1.00 0.00 C ATOM 506 CD LYS A 38 -7.309 -2.479 -9.404 1.00 0.00 C ATOM 507 CE LYS A 38 -8.765 -2.583 -9.866 1.00 0.00 C ATOM 508 NZ LYS A 38 -8.924 -3.692 -10.833 1.00 0.00 N ATOM 0 H LYS A 38 -5.639 -0.885 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.161 -0.260 -8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.627 -1.852 -6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.002 -1.961 -7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.132 -2.812 -7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.584 -3.790 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.933 -1.475 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.691 -3.168 -9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.415 -2.746 -9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.075 -1.645 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.917 -3.749 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.319 -3.520 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.648 -4.588 -10.382 1.00 0.00 H new ATOM 518 N THR A 39 -7.520 0.995 -5.564 1.00 0.00 N ATOM 519 CA THR A 39 -7.945 2.008 -4.612 1.00 0.00 C ATOM 520 C THR A 39 -7.106 3.277 -4.774 1.00 0.00 C ATOM 521 O THR A 39 -7.541 4.235 -5.412 1.00 0.00 O ATOM 522 CB THR A 39 -7.864 1.401 -3.209 1.00 0.00 C ATOM 523 OG1 THR A 39 -6.503 0.995 -3.084 1.00 0.00 O ATOM 524 CG2 THR A 39 -8.653 0.096 -3.089 1.00 0.00 C ATOM 0 H THR A 39 -6.659 0.509 -5.314 1.00 0.00 H new ATOM 0 HA THR A 39 -8.976 2.312 -4.792 1.00 0.00 H new ATOM 0 HB THR A 39 -8.238 2.120 -2.481 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.285 0.870 -2.137 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.562 -0.292 -2.075 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.703 0.284 -3.313 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.257 -0.635 -3.794 1.00 0.00 H new ATOM 532 N GLY A 40 -5.919 3.243 -4.186 1.00 0.00 N ATOM 533 CA GLY A 40 -5.017 4.379 -4.257 1.00 0.00 C ATOM 534 C GLY A 40 -4.893 5.068 -2.896 1.00 0.00 C ATOM 535 O GLY A 40 -4.550 6.247 -2.822 1.00 0.00 O ATOM 0 H GLY A 40 -5.561 2.447 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.034 4.047 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.381 5.091 -4.997 1.00 0.00 H new ATOM 539 N CYS A 41 -5.181 4.303 -1.853 1.00 0.00 N ATOM 540 CA CYS A 41 -5.106 4.824 -0.499 1.00 0.00 C ATOM 541 C CYS A 41 -4.757 3.670 0.442 1.00 0.00 C ATOM 542 O CYS A 41 -5.567 2.767 0.649 1.00 0.00 O ATOM 543 CB CYS A 41 -6.405 5.522 -0.090 1.00 0.00 C ATOM 544 SG CYS A 41 -6.213 7.337 -0.236 1.00 0.00 S ATOM 0 H CYS A 41 -5.467 3.326 -1.919 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.328 5.585 -0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.225 5.183 -0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.663 5.257 0.935 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.498 7.615 -1.285 1.00 0.00 H new ATOM 549 N VAL A 42 -3.552 3.736 0.987 1.00 0.00 N ATOM 550 CA VAL A 42 -3.086 2.708 1.902 1.00 0.00 C ATOM 551 C VAL A 42 -4.227 2.314 2.843 1.00 0.00 C ATOM 552 O VAL A 42 -4.537 1.131 2.987 1.00 0.00 O ATOM 553 CB VAL A 42 -1.840 3.193 2.646 1.00 0.00 C ATOM 554 CG1 VAL A 42 -0.631 3.251 1.709 1.00 0.00 C ATOM 555 CG2 VAL A 42 -2.089 4.552 3.303 1.00 0.00 C ATOM 0 H VAL A 42 -2.883 4.486 0.813 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.792 1.814 1.352 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.619 2.474 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.242 3.599 2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.434 2.257 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.839 3.939 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.188 4.874 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.346 5.284 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.910 4.467 4.015 1.00 0.00 H new ATOM 565 N ASP A 43 -4.821 3.325 3.458 1.00 0.00 N ATOM 566 CA ASP A 43 -5.921 3.098 4.379 1.00 0.00 C ATOM 567 C ASP A 43 -7.005 2.275 3.681 1.00 0.00 C ATOM 568 O ASP A 43 -7.418 1.231 4.185 1.00 0.00 O ATOM 569 CB ASP A 43 -6.547 4.422 4.827 1.00 0.00 C ATOM 570 CG ASP A 43 -7.674 4.290 5.852 1.00 0.00 C ATOM 571 OD1 ASP A 43 -8.663 3.599 5.522 1.00 0.00 O ATOM 572 OD2 ASP A 43 -7.523 4.883 6.942 1.00 0.00 O ATOM 0 H ASP A 43 -4.561 4.304 3.337 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.528 2.572 5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.764 5.052 5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.934 4.939 3.949 1.00 0.00 H new ATOM 576 N LEU A 44 -7.436 2.776 2.533 1.00 0.00 N ATOM 577 CA LEU A 44 -8.465 2.101 1.761 1.00 0.00 C ATOM 578 C LEU A 44 -8.031 0.657 1.496 1.00 0.00 C ATOM 579 O LEU A 44 -8.792 -0.279 1.741 1.00 0.00 O ATOM 580 CB LEU A 44 -8.786 2.889 0.490 1.00 0.00 C ATOM 581 CG LEU A 44 -10.255 3.262 0.285 1.00 0.00 C ATOM 582 CD1 LEU A 44 -10.739 4.209 1.386 1.00 0.00 C ATOM 583 CD2 LEU A 44 -10.484 3.844 -1.111 1.00 0.00 C ATOM 0 H LEU A 44 -7.091 3.642 2.119 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.397 2.057 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.196 3.806 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.457 2.304 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.851 2.352 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.786 4.459 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.634 3.723 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.142 5.121 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.537 4.101 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.876 4.740 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.203 3.107 -1.863 1.00 0.00 H new ATOM 594 N THR A 45 -6.811 0.522 0.999 1.00 0.00 N ATOM 595 CA THR A 45 -6.267 -0.792 0.697 1.00 0.00 C ATOM 596 C THR A 45 -6.598 -1.776 1.821 1.00 0.00 C ATOM 597 O THR A 45 -7.216 -2.812 1.582 1.00 0.00 O ATOM 598 CB THR A 45 -4.766 -0.637 0.448 1.00 0.00 C ATOM 599 OG1 THR A 45 -4.687 0.300 -0.623 1.00 0.00 O ATOM 600 CG2 THR A 45 -4.132 -1.907 -0.122 1.00 0.00 C ATOM 0 H THR A 45 -6.183 1.300 0.798 1.00 0.00 H new ATOM 0 HA THR A 45 -6.718 -1.210 -0.203 1.00 0.00 H new ATOM 0 HB THR A 45 -4.269 -0.371 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.945 0.919 -0.462 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.066 -1.742 -0.280 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.272 -2.730 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.605 -2.155 -1.072 1.00 0.00 H new ATOM 608 N ILE A 46 -6.170 -1.418 3.023 1.00 0.00 N ATOM 609 CA ILE A 46 -6.412 -2.257 4.184 1.00 0.00 C ATOM 610 C ILE A 46 -7.893 -2.635 4.235 1.00 0.00 C ATOM 611 O ILE A 46 -8.246 -3.800 4.052 1.00 0.00 O ATOM 612 CB ILE A 46 -5.910 -1.568 5.456 1.00 0.00 C ATOM 613 CG1 ILE A 46 -4.398 -1.739 5.611 1.00 0.00 C ATOM 614 CG2 ILE A 46 -6.673 -2.067 6.686 1.00 0.00 C ATOM 615 CD1 ILE A 46 -3.704 -0.380 5.739 1.00 0.00 C ATOM 0 H ILE A 46 -5.657 -0.558 3.218 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.848 -3.186 4.107 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.105 -0.499 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.185 -2.345 6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.999 -2.276 4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.298 -1.562 7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.735 -1.852 6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.530 -3.142 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.630 -0.529 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.899 0.214 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.088 0.144 6.614 1.00 0.00 H new ATOM 626 N THR A 47 -8.721 -1.631 4.482 1.00 0.00 N ATOM 627 CA THR A 47 -10.156 -1.845 4.557 1.00 0.00 C ATOM 628 C THR A 47 -10.636 -2.672 3.363 1.00 0.00 C ATOM 629 O THR A 47 -11.169 -3.767 3.535 1.00 0.00 O ATOM 630 CB THR A 47 -10.833 -0.477 4.660 1.00 0.00 C ATOM 631 OG1 THR A 47 -10.881 -0.217 6.061 1.00 0.00 O ATOM 632 CG2 THR A 47 -12.303 -0.517 4.238 1.00 0.00 C ATOM 0 H THR A 47 -8.425 -0.667 4.633 1.00 0.00 H new ATOM 0 HA THR A 47 -10.423 -2.424 5.441 1.00 0.00 H new ATOM 0 HB THR A 47 -10.297 0.240 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.304 0.653 6.218 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.735 0.479 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.375 -0.850 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.847 -1.209 4.880 1.00 0.00 H new ATOM 640 N ASN A 48 -10.430 -2.116 2.178 1.00 0.00 N ATOM 641 CA ASN A 48 -10.834 -2.788 0.955 1.00 0.00 C ATOM 642 C ASN A 48 -10.389 -4.250 1.011 1.00 0.00 C ATOM 643 O ASN A 48 -11.133 -5.146 0.613 1.00 0.00 O ATOM 644 CB ASN A 48 -10.183 -2.142 -0.270 1.00 0.00 C ATOM 645 CG ASN A 48 -10.718 -0.726 -0.493 1.00 0.00 C ATOM 646 OD1 ASN A 48 -10.054 0.264 -0.235 1.00 0.00 O ATOM 647 ND2 ASN A 48 -11.952 -0.686 -0.986 1.00 0.00 N ATOM 0 H ASN A 48 -9.988 -1.207 2.039 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.918 -2.710 0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.102 -2.109 -0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.377 -2.751 -1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.399 0.212 -1.171 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.452 -1.554 -1.180 1.00 0.00 H new ATOM 653 N LEU A 49 -9.177 -4.449 1.508 1.00 0.00 N ATOM 654 CA LEU A 49 -8.624 -5.787 1.621 1.00 0.00 C ATOM 655 C LEU A 49 -9.453 -6.595 2.622 1.00 0.00 C ATOM 656 O LEU A 49 -9.676 -7.789 2.429 1.00 0.00 O ATOM 657 CB LEU A 49 -7.135 -5.725 1.967 1.00 0.00 C ATOM 658 CG LEU A 49 -6.167 -5.810 0.784 1.00 0.00 C ATOM 659 CD1 LEU A 49 -4.786 -5.276 1.165 1.00 0.00 C ATOM 660 CD2 LEU A 49 -6.099 -7.236 0.234 1.00 0.00 C ATOM 0 H LEU A 49 -8.562 -3.705 1.837 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.685 -6.305 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.945 -4.794 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.908 -6.539 2.656 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.548 -5.174 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.118 -5.348 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.871 -4.234 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.383 -5.865 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.405 -7.269 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.755 -7.912 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.089 -7.544 -0.102 1.00 0.00 H new ATOM 671 N LEU A 50 -9.889 -5.909 3.669 1.00 0.00 N ATOM 672 CA LEU A 50 -10.689 -6.548 4.700 1.00 0.00 C ATOM 673 C LEU A 50 -12.020 -7.004 4.098 1.00 0.00 C ATOM 674 O LEU A 50 -12.273 -8.202 3.977 1.00 0.00 O ATOM 675 CB LEU A 50 -10.846 -5.621 5.907 1.00 0.00 C ATOM 676 CG LEU A 50 -12.204 -5.662 6.613 1.00 0.00 C ATOM 677 CD1 LEU A 50 -12.653 -7.105 6.853 1.00 0.00 C ATOM 678 CD2 LEU A 50 -12.174 -4.849 7.907 1.00 0.00 C ATOM 0 H LEU A 50 -9.703 -4.918 3.825 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.186 -7.440 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.073 -5.870 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.659 -4.598 5.581 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.943 -5.199 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.620 -7.106 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.740 -7.623 5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.919 -7.615 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.151 -4.895 8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.419 -5.260 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.930 -3.811 7.679 1.00 0.00 H new ATOM 689 N GLU A 51 -12.835 -6.025 3.736 1.00 0.00 N ATOM 690 CA GLU A 51 -14.133 -6.311 3.149 1.00 0.00 C ATOM 691 C GLU A 51 -13.974 -7.206 1.918 1.00 0.00 C ATOM 692 O GLU A 51 -14.849 -8.018 1.620 1.00 0.00 O ATOM 693 CB GLU A 51 -14.871 -5.018 2.795 1.00 0.00 C ATOM 694 CG GLU A 51 -13.968 -4.069 2.005 1.00 0.00 C ATOM 695 CD GLU A 51 -14.018 -2.655 2.586 1.00 0.00 C ATOM 696 OE1 GLU A 51 -14.200 -2.554 3.818 1.00 0.00 O ATOM 697 OE2 GLU A 51 -13.873 -1.707 1.784 1.00 0.00 O ATOM 0 H GLU A 51 -12.622 -5.033 3.838 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.734 -6.844 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.760 -5.251 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.210 -4.527 3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.942 -4.438 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.281 -4.048 0.961 1.00 0.00 H new ATOM 702 N GLY A 52 -12.852 -7.028 1.238 1.00 0.00 N ATOM 703 CA GLY A 52 -12.567 -7.809 0.046 1.00 0.00 C ATOM 704 C GLY A 52 -13.336 -7.270 -1.161 1.00 0.00 C ATOM 705 O GLY A 52 -14.123 -7.991 -1.773 1.00 0.00 O ATOM 0 H GLY A 52 -12.129 -6.354 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.497 -7.786 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.836 -8.851 0.217 1.00 0.00 H new ATOM 709 N ALA A 53 -13.083 -6.006 -1.467 1.00 0.00 N ATOM 710 CA ALA A 53 -13.741 -5.361 -2.589 1.00 0.00 C ATOM 711 C ALA A 53 -12.793 -5.342 -3.791 1.00 0.00 C ATOM 712 O ALA A 53 -12.647 -6.345 -4.487 1.00 0.00 O ATOM 713 CB ALA A 53 -14.192 -3.958 -2.180 1.00 0.00 C ATOM 0 H ALA A 53 -12.430 -5.411 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.632 -5.917 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.686 -3.474 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.888 -4.029 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.324 -3.370 -1.882 1.00 0.00 H new ATOM 719 N VAL A 54 -12.173 -4.189 -3.995 1.00 0.00 N ATOM 720 CA VAL A 54 -11.241 -4.027 -5.099 1.00 0.00 C ATOM 721 C VAL A 54 -12.002 -4.137 -6.422 1.00 0.00 C ATOM 722 O VAL A 54 -12.932 -4.932 -6.544 1.00 0.00 O ATOM 723 CB VAL A 54 -10.103 -5.042 -4.978 1.00 0.00 C ATOM 724 CG1 VAL A 54 -9.113 -4.896 -6.135 1.00 0.00 C ATOM 725 CG2 VAL A 54 -9.393 -4.911 -3.629 1.00 0.00 C ATOM 0 H VAL A 54 -12.297 -3.359 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.781 -3.039 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 54 -10.537 -6.040 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.314 -5.629 -6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.630 -5.062 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.688 -3.892 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.588 -5.644 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.978 -3.908 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.106 -5.088 -2.824 1.00 0.00 H new ATOM 735 N ALA A 55 -11.579 -3.326 -7.380 1.00 0.00 N ATOM 736 CA ALA A 55 -12.208 -3.322 -8.690 1.00 0.00 C ATOM 737 C ALA A 55 -13.624 -2.757 -8.568 1.00 0.00 C ATOM 738 O ALA A 55 -14.570 -3.496 -8.295 1.00 0.00 O ATOM 739 CB ALA A 55 -12.192 -4.739 -9.268 1.00 0.00 C ATOM 0 H ALA A 55 -10.808 -2.667 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.657 -2.683 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.664 -4.736 -10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.162 -5.082 -9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.739 -5.409 -8.605 1.00 0.00 H new ATOM 745 N PHE A 56 -13.727 -1.453 -8.777 1.00 0.00 N ATOM 746 CA PHE A 56 -15.013 -0.781 -8.694 1.00 0.00 C ATOM 747 C PHE A 56 -15.780 -0.900 -10.012 1.00 0.00 C ATOM 748 O PHE A 56 -15.186 -1.150 -11.061 1.00 0.00 O ATOM 749 CB PHE A 56 -14.728 0.697 -8.416 1.00 0.00 C ATOM 750 CG PHE A 56 -14.139 1.452 -9.610 1.00 0.00 C ATOM 751 CD1 PHE A 56 -14.964 2.032 -10.522 1.00 0.00 C ATOM 752 CD2 PHE A 56 -12.790 1.543 -9.758 1.00 0.00 C ATOM 753 CE1 PHE A 56 -14.418 2.733 -11.629 1.00 0.00 C ATOM 754 CE2 PHE A 56 -12.244 2.244 -10.866 1.00 0.00 C ATOM 755 CZ PHE A 56 -13.069 2.824 -11.777 1.00 0.00 C ATOM 0 H PHE A 56 -12.941 -0.844 -9.004 1.00 0.00 H new ATOM 0 HA PHE A 56 -15.619 -1.234 -7.909 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -15.654 1.184 -8.112 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -14.038 0.772 -7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -16.035 1.959 -10.404 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -12.135 1.083 -9.034 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -15.073 3.194 -12.353 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.173 2.316 -10.985 1.00 0.00 H new ATOM 0 HZ PHE A 56 -12.653 3.357 -12.619 1.00 0.00 H new ATOM 764 N MET A 57 -17.089 -0.719 -9.917 1.00 0.00 N ATOM 765 CA MET A 57 -17.944 -0.803 -11.088 1.00 0.00 C ATOM 766 C MET A 57 -18.197 0.583 -11.685 1.00 0.00 C ATOM 767 O MET A 57 -18.144 1.586 -10.975 1.00 0.00 O ATOM 768 CB MET A 57 -19.279 -1.444 -10.702 1.00 0.00 C ATOM 769 CG MET A 57 -19.405 -2.848 -11.296 1.00 0.00 C ATOM 770 SD MET A 57 -19.115 -4.074 -10.031 1.00 0.00 S ATOM 771 CE MET A 57 -20.179 -5.382 -10.617 1.00 0.00 C ATOM 0 H MET A 57 -17.578 -0.514 -9.046 1.00 0.00 H new ATOM 0 HA MET A 57 -17.441 -1.414 -11.837 1.00 0.00 H new ATOM 0 HB2 MET A 57 -19.361 -1.496 -9.616 1.00 0.00 H new ATOM 0 HB3 MET A 57 -20.101 -0.821 -11.054 1.00 0.00 H new ATOM 0 HG2 MET A 57 -20.398 -2.983 -11.724 1.00 0.00 H new ATOM 0 HG3 MET A 57 -18.688 -2.974 -12.108 1.00 0.00 H new ATOM 0 HE1 MET A 57 -20.118 -6.232 -9.938 1.00 0.00 H new ATOM 0 HE2 MET A 57 -21.207 -5.023 -10.659 1.00 0.00 H new ATOM 0 HE3 MET A 57 -19.862 -5.690 -11.613 1.00 0.00 H new ATOM 779 N PRO A 58 -18.472 0.595 -13.017 1.00 0.00 N ATOM 780 CA PRO A 58 -18.733 1.841 -13.715 1.00 0.00 C ATOM 781 C PRO A 58 -20.130 2.373 -13.387 1.00 0.00 C ATOM 782 O PRO A 58 -21.129 1.704 -13.646 1.00 0.00 O ATOM 783 CB PRO A 58 -18.556 1.510 -15.188 1.00 0.00 C ATOM 784 CG PRO A 58 -18.659 -0.002 -15.292 1.00 0.00 C ATOM 785 CD PRO A 58 -18.543 -0.575 -13.888 1.00 0.00 C ATOM 0 HA PRO A 58 -18.056 2.641 -13.414 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.322 1.996 -15.792 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.591 1.862 -15.554 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.608 -0.290 -15.745 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.869 -0.395 -15.931 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.402 -1.200 -13.643 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -17.655 -1.199 -13.787 1.00 0.00 H new ATOM 790 N GLU A 59 -20.155 3.570 -12.821 1.00 0.00 N ATOM 791 CA GLU A 59 -21.411 4.200 -12.454 1.00 0.00 C ATOM 792 C GLU A 59 -22.167 4.646 -13.707 1.00 0.00 C ATOM 793 O GLU A 59 -21.583 4.751 -14.784 1.00 0.00 O ATOM 794 CB GLU A 59 -21.179 5.377 -11.506 1.00 0.00 C ATOM 795 CG GLU A 59 -20.433 6.511 -12.212 1.00 0.00 C ATOM 796 CD GLU A 59 -19.303 7.054 -11.335 1.00 0.00 C ATOM 797 OE1 GLU A 59 -18.372 6.268 -11.058 1.00 0.00 O ATOM 798 OE2 GLU A 59 -19.395 8.244 -10.962 1.00 0.00 O ATOM 0 H GLU A 59 -19.324 4.121 -12.607 1.00 0.00 H new ATOM 0 HA GLU A 59 -22.021 3.467 -11.926 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.136 5.743 -11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.607 5.044 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -20.024 6.150 -13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.129 7.314 -12.453 1.00 0.00 H new ATOM 803 N ASP A 60 -23.456 4.896 -13.525 1.00 0.00 N ATOM 804 CA ASP A 60 -24.298 5.328 -14.627 1.00 0.00 C ATOM 805 C ASP A 60 -25.271 6.399 -14.130 1.00 0.00 C ATOM 806 O ASP A 60 -26.372 6.537 -14.660 1.00 0.00 O ATOM 807 CB ASP A 60 -25.120 4.163 -15.181 1.00 0.00 C ATOM 808 CG ASP A 60 -25.759 4.416 -16.548 1.00 0.00 C ATOM 809 OD1 ASP A 60 -25.160 5.195 -17.320 1.00 0.00 O ATOM 810 OD2 ASP A 60 -26.833 3.824 -16.791 1.00 0.00 O ATOM 0 H ASP A 60 -23.937 4.807 -12.630 1.00 0.00 H new ATOM 0 HA ASP A 60 -23.651 5.719 -15.413 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -24.477 3.286 -15.254 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -25.908 3.922 -14.467 1.00 0.00 H new ATOM 814 N ILE A 61 -24.828 7.131 -13.118 1.00 0.00 N ATOM 815 CA ILE A 61 -25.646 8.186 -12.544 1.00 0.00 C ATOM 816 C ILE A 61 -25.604 9.413 -13.458 1.00 0.00 C ATOM 817 O ILE A 61 -25.348 9.291 -14.655 1.00 0.00 O ATOM 818 CB ILE A 61 -25.213 8.476 -11.106 1.00 0.00 C ATOM 819 CG1 ILE A 61 -25.467 7.269 -10.202 1.00 0.00 C ATOM 820 CG2 ILE A 61 -25.890 9.742 -10.574 1.00 0.00 C ATOM 821 CD1 ILE A 61 -26.924 6.809 -10.298 1.00 0.00 C ATOM 0 H ILE A 61 -23.914 7.014 -12.681 1.00 0.00 H new ATOM 0 HA ILE A 61 -26.687 7.870 -12.482 1.00 0.00 H new ATOM 0 HB ILE A 61 -24.139 8.659 -11.104 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -24.804 6.452 -10.486 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -25.231 7.527 -9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -25.565 9.925 -9.550 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -25.616 10.592 -11.199 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -26.972 9.612 -10.593 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -27.078 5.949 -9.646 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -27.583 7.621 -9.990 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -27.150 6.529 -11.327 1.00 0.00 H new TER 832 ILE A 61