USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 857 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 107 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 74 GLN : amide:sc= 0.0879 K(o=0.18,f=-6.3!) USER MOD Set 2.2: A 75 SER OG : rot 49:sc= 0.0914 USER MOD Set 3.1: A 45 HIS : no HE2:sc= -0.451 K(o=-0.59,f=-2.8!) USER MOD Set 3.2: A 81 HIS : no HD1:sc= -0.141 X(o=-0.59,f=-0.31) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0887 (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 10 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 28:sc= 0.0482 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 30 SER OG : rot -146:sc= 0.309 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -92:sc= 1.37 USER MOD Single : A 59 CYS SG : rot -25:sc= 0.0696 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.393 K(o=0.39,f=-3.1!) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 79 MET CE :methyl -132:sc= -0.205 (180deg=-1.52) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.00495 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 106 ASN : amide:sc= 0.0292 X(o=0.029,f=-0.089) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0367 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.287 -8.130 -25.254 1.00 0.00 N ATOM 2 CA GLY A 1 -6.580 -9.427 -24.650 1.00 0.00 C ATOM 3 C GLY A 1 -7.584 -9.281 -23.521 1.00 0.00 C ATOM 4 O GLY A 1 -7.878 -8.173 -23.048 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.696 -8.092 -26.210 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.699 -7.374 -24.670 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.257 -7.999 -25.313 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.973 -10.105 -25.407 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.661 -9.872 -24.270 1.00 0.00 H new ATOM 8 N SER A 2 -8.093 -10.419 -23.067 1.00 0.00 N ATOM 9 CA SER A 2 -8.969 -10.580 -21.920 1.00 0.00 C ATOM 10 C SER A 2 -8.280 -11.536 -20.937 1.00 0.00 C ATOM 11 O SER A 2 -7.185 -12.049 -21.211 1.00 0.00 O ATOM 12 CB SER A 2 -10.351 -11.054 -22.405 1.00 0.00 C ATOM 13 OG SER A 2 -10.272 -12.162 -23.290 1.00 0.00 O ATOM 0 H SER A 2 -7.890 -11.310 -23.521 1.00 0.00 H new ATOM 0 HA SER A 2 -9.145 -9.644 -21.390 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.960 -11.326 -21.543 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.858 -10.229 -22.906 1.00 0.00 H new ATOM 0 HG SER A 2 -11.175 -12.425 -23.567 1.00 0.00 H new ATOM 19 N SER A 3 -8.871 -11.755 -19.764 1.00 0.00 N ATOM 20 CA SER A 3 -8.481 -12.847 -18.887 1.00 0.00 C ATOM 21 C SER A 3 -8.801 -14.190 -19.557 1.00 0.00 C ATOM 22 O SER A 3 -9.551 -14.245 -20.534 1.00 0.00 O ATOM 23 CB SER A 3 -9.208 -12.698 -17.547 1.00 0.00 C ATOM 24 OG SER A 3 -8.600 -11.683 -16.755 1.00 0.00 O ATOM 0 H SER A 3 -9.631 -11.180 -19.399 1.00 0.00 H new ATOM 0 HA SER A 3 -7.407 -12.817 -18.701 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.255 -12.452 -17.721 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.189 -13.646 -17.010 1.00 0.00 H new ATOM 0 HG SER A 3 -9.079 -11.601 -15.904 1.00 0.00 H new ATOM 30 N GLY A 4 -8.234 -15.273 -19.041 1.00 0.00 N ATOM 31 CA GLY A 4 -8.396 -16.600 -19.595 1.00 0.00 C ATOM 32 C GLY A 4 -7.208 -17.462 -19.202 1.00 0.00 C ATOM 33 O GLY A 4 -7.007 -17.739 -18.018 1.00 0.00 O ATOM 0 H GLY A 4 -7.640 -15.248 -18.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.320 -17.048 -19.230 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.476 -16.545 -20.681 1.00 0.00 H new ATOM 37 N SER A 5 -6.422 -17.892 -20.186 1.00 0.00 N ATOM 38 CA SER A 5 -5.253 -18.732 -19.978 1.00 0.00 C ATOM 39 C SER A 5 -4.185 -17.967 -19.185 1.00 0.00 C ATOM 40 O SER A 5 -4.002 -16.767 -19.402 1.00 0.00 O ATOM 41 CB SER A 5 -4.736 -19.187 -21.348 1.00 0.00 C ATOM 42 OG SER A 5 -5.808 -19.700 -22.127 1.00 0.00 O ATOM 0 H SER A 5 -6.585 -17.661 -21.166 1.00 0.00 H new ATOM 0 HA SER A 5 -5.512 -19.613 -19.391 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.268 -18.350 -21.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.970 -19.952 -21.221 1.00 0.00 H new ATOM 0 HG SER A 5 -5.469 -19.987 -23.001 1.00 0.00 H new ATOM 48 N SER A 6 -3.475 -18.665 -18.294 1.00 0.00 N ATOM 49 CA SER A 6 -2.530 -18.107 -17.332 1.00 0.00 C ATOM 50 C SER A 6 -3.071 -16.861 -16.617 1.00 0.00 C ATOM 51 O SER A 6 -2.568 -15.742 -16.761 1.00 0.00 O ATOM 52 CB SER A 6 -1.133 -17.946 -17.957 1.00 0.00 C ATOM 53 OG SER A 6 -0.257 -18.874 -17.343 1.00 0.00 O ATOM 0 H SER A 6 -3.549 -19.680 -18.223 1.00 0.00 H new ATOM 0 HA SER A 6 -2.406 -18.827 -16.523 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.177 -18.120 -19.032 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.769 -16.929 -17.813 1.00 0.00 H new ATOM 0 HG SER A 6 0.638 -18.785 -17.732 1.00 0.00 H new ATOM 59 N GLY A 7 -4.075 -17.086 -15.773 1.00 0.00 N ATOM 60 CA GLY A 7 -4.524 -16.127 -14.780 1.00 0.00 C ATOM 61 C GLY A 7 -4.914 -16.881 -13.527 1.00 0.00 C ATOM 62 O GLY A 7 -4.058 -17.125 -12.677 1.00 0.00 O ATOM 0 H GLY A 7 -4.606 -17.957 -15.764 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.733 -15.411 -14.560 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.373 -15.558 -15.159 1.00 0.00 H new ATOM 66 N SER A 8 -6.176 -17.305 -13.454 1.00 0.00 N ATOM 67 CA SER A 8 -6.802 -17.870 -12.262 1.00 0.00 C ATOM 68 C SER A 8 -6.723 -16.918 -11.051 1.00 0.00 C ATOM 69 O SER A 8 -6.239 -15.786 -11.167 1.00 0.00 O ATOM 70 CB SER A 8 -6.225 -19.270 -11.992 1.00 0.00 C ATOM 71 OG SER A 8 -6.411 -20.098 -13.127 1.00 0.00 O ATOM 0 H SER A 8 -6.811 -17.262 -14.251 1.00 0.00 H new ATOM 0 HA SER A 8 -7.871 -17.987 -12.442 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.163 -19.196 -11.756 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.714 -19.713 -11.124 1.00 0.00 H new ATOM 0 HG SER A 8 -6.039 -20.987 -12.948 1.00 0.00 H new ATOM 77 N LEU A 9 -7.253 -17.380 -9.907 1.00 0.00 N ATOM 78 CA LEU A 9 -7.307 -16.706 -8.607 1.00 0.00 C ATOM 79 C LEU A 9 -7.600 -15.209 -8.764 1.00 0.00 C ATOM 80 O LEU A 9 -6.695 -14.381 -8.627 1.00 0.00 O ATOM 81 CB LEU A 9 -6.024 -17.014 -7.793 1.00 0.00 C ATOM 82 CG LEU A 9 -6.203 -18.129 -6.750 1.00 0.00 C ATOM 83 CD1 LEU A 9 -6.576 -19.486 -7.359 1.00 0.00 C ATOM 84 CD2 LEU A 9 -4.921 -18.282 -5.923 1.00 0.00 C ATOM 0 H LEU A 9 -7.686 -18.303 -9.868 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.143 -17.100 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.228 -17.298 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.699 -16.105 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.038 -17.824 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.686 -20.224 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.517 -19.395 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.791 -19.805 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.056 -19.074 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.091 -18.537 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.704 -17.344 -5.412 1.00 0.00 H new ATOM 96 N GLN A 10 -8.869 -14.874 -9.035 1.00 0.00 N ATOM 97 CA GLN A 10 -9.318 -13.517 -9.340 1.00 0.00 C ATOM 98 C GLN A 10 -8.856 -12.482 -8.309 1.00 0.00 C ATOM 99 O GLN A 10 -8.606 -12.775 -7.131 1.00 0.00 O ATOM 100 CB GLN A 10 -10.853 -13.469 -9.447 1.00 0.00 C ATOM 101 CG GLN A 10 -11.412 -13.736 -10.846 1.00 0.00 C ATOM 102 CD GLN A 10 -12.942 -13.651 -10.868 1.00 0.00 C ATOM 103 OE1 GLN A 10 -13.622 -13.666 -9.836 1.00 0.00 O ATOM 104 NE2 GLN A 10 -13.522 -13.564 -12.048 1.00 0.00 N ATOM 0 H GLN A 10 -9.626 -15.558 -9.047 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.861 -13.256 -10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.273 -14.202 -8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.195 -12.488 -9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.997 -13.013 -11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.097 -14.724 -11.182 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.955 -13.552 -12.896 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.538 -13.508 -12.114 1.00 0.00 H new ATOM 113 N THR A 11 -8.818 -11.241 -8.772 1.00 0.00 N ATOM 114 CA THR A 11 -8.350 -10.063 -8.080 1.00 0.00 C ATOM 115 C THR A 11 -9.248 -8.884 -8.463 1.00 0.00 C ATOM 116 O THR A 11 -10.062 -8.966 -9.388 1.00 0.00 O ATOM 117 CB THR A 11 -6.869 -9.800 -8.433 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.635 -9.614 -9.818 1.00 0.00 O ATOM 119 CG2 THR A 11 -5.953 -10.941 -7.992 1.00 0.00 C ATOM 0 H THR A 11 -9.140 -11.022 -9.715 1.00 0.00 H new ATOM 0 HA THR A 11 -8.404 -10.204 -7.000 1.00 0.00 H new ATOM 0 HB THR A 11 -6.642 -8.880 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.681 -9.451 -9.970 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.924 -10.707 -8.263 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.024 -11.068 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.257 -11.864 -8.486 1.00 0.00 H new ATOM 127 N SER A 12 -9.098 -7.770 -7.768 1.00 0.00 N ATOM 128 CA SER A 12 -9.243 -6.470 -8.390 1.00 0.00 C ATOM 129 C SER A 12 -8.053 -5.626 -7.968 1.00 0.00 C ATOM 130 O SER A 12 -7.478 -5.860 -6.906 1.00 0.00 O ATOM 131 CB SER A 12 -10.561 -5.844 -7.950 1.00 0.00 C ATOM 132 OG SER A 12 -11.601 -6.238 -8.831 1.00 0.00 O ATOM 0 H SER A 12 -8.876 -7.742 -6.773 1.00 0.00 H new ATOM 0 HA SER A 12 -9.264 -6.545 -9.477 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.798 -6.153 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.472 -4.758 -7.941 1.00 0.00 H new ATOM 0 HG SER A 12 -11.391 -7.115 -9.214 1.00 0.00 H new ATOM 138 N ASP A 13 -7.714 -4.633 -8.777 1.00 0.00 N ATOM 139 CA ASP A 13 -6.907 -3.488 -8.365 1.00 0.00 C ATOM 140 C ASP A 13 -7.906 -2.409 -7.947 1.00 0.00 C ATOM 141 O ASP A 13 -8.948 -2.260 -8.597 1.00 0.00 O ATOM 142 CB ASP A 13 -6.069 -2.937 -9.534 1.00 0.00 C ATOM 143 CG ASP A 13 -4.725 -3.623 -9.787 1.00 0.00 C ATOM 144 OD1 ASP A 13 -3.937 -3.857 -8.838 1.00 0.00 O ATOM 145 OD2 ASP A 13 -4.395 -3.819 -10.980 1.00 0.00 O ATOM 0 H ASP A 13 -7.996 -4.597 -9.757 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.221 -3.778 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.665 -3.006 -10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.884 -1.878 -9.353 1.00 0.00 H new ATOM 150 N VAL A 14 -7.600 -1.630 -6.913 1.00 0.00 N ATOM 151 CA VAL A 14 -8.335 -0.427 -6.536 1.00 0.00 C ATOM 152 C VAL A 14 -7.296 0.673 -6.366 1.00 0.00 C ATOM 153 O VAL A 14 -6.575 0.689 -5.365 1.00 0.00 O ATOM 154 CB VAL A 14 -9.190 -0.628 -5.260 1.00 0.00 C ATOM 155 CG1 VAL A 14 -10.121 0.576 -5.055 1.00 0.00 C ATOM 156 CG2 VAL A 14 -10.075 -1.883 -5.348 1.00 0.00 C ATOM 0 H VAL A 14 -6.811 -1.824 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.058 -0.163 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.491 -0.737 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.718 0.425 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.525 1.482 -4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.782 0.676 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.656 -1.983 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.751 -1.793 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.446 -2.764 -5.477 1.00 0.00 H new ATOM 166 N VAL A 15 -7.168 1.558 -7.354 1.00 0.00 N ATOM 167 CA VAL A 15 -6.402 2.784 -7.202 1.00 0.00 C ATOM 168 C VAL A 15 -7.275 3.842 -6.527 1.00 0.00 C ATOM 169 O VAL A 15 -8.488 3.891 -6.754 1.00 0.00 O ATOM 170 CB VAL A 15 -5.799 3.204 -8.552 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.833 3.727 -9.560 1.00 0.00 C ATOM 172 CG2 VAL A 15 -4.637 4.189 -8.391 1.00 0.00 C ATOM 0 H VAL A 15 -7.591 1.442 -8.275 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.545 2.636 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.401 2.282 -8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.330 4.003 -10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.568 2.949 -9.764 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.335 4.601 -9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.246 4.454 -9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.990 5.088 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.847 3.726 -7.799 1.00 0.00 H new ATOM 182 N ILE A 16 -6.659 4.674 -5.694 1.00 0.00 N ATOM 183 CA ILE A 16 -7.222 5.844 -5.031 1.00 0.00 C ATOM 184 C ILE A 16 -6.146 6.926 -5.159 1.00 0.00 C ATOM 185 O ILE A 16 -4.957 6.603 -5.236 1.00 0.00 O ATOM 186 CB ILE A 16 -7.556 5.495 -3.559 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.803 4.585 -3.464 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.815 6.735 -2.680 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.770 3.669 -2.245 1.00 0.00 C ATOM 0 H ILE A 16 -5.679 4.537 -5.446 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.157 6.188 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.670 4.980 -3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.698 5.205 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.876 3.979 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.043 6.418 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.928 7.368 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.658 7.297 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.669 3.053 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.891 3.027 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.727 4.272 -1.338 1.00 0.00 H new ATOM 201 N HIS A 17 -6.562 8.194 -5.170 1.00 0.00 N ATOM 202 CA HIS A 17 -5.746 9.352 -5.512 1.00 0.00 C ATOM 203 C HIS A 17 -5.899 10.419 -4.413 1.00 0.00 C ATOM 204 O HIS A 17 -7.032 10.654 -3.977 1.00 0.00 O ATOM 205 CB HIS A 17 -6.239 9.847 -6.876 1.00 0.00 C ATOM 206 CG HIS A 17 -6.040 8.862 -8.006 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.971 8.835 -8.875 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.920 7.890 -8.403 1.00 0.00 C ATOM 209 CE1 HIS A 17 -5.211 7.881 -9.792 1.00 0.00 C ATOM 210 NE2 HIS A 17 -6.400 7.298 -9.562 1.00 0.00 N ATOM 0 H HIS A 17 -7.520 8.449 -4.930 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.685 9.112 -5.575 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.300 10.086 -6.801 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.720 10.774 -7.122 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.846 7.628 -7.912 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.543 7.620 -10.599 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.839 6.567 -10.122 1.00 0.00 H new ATOM 218 N ARG A 18 -4.824 11.082 -3.947 1.00 0.00 N ATOM 219 CA ARG A 18 -4.900 12.096 -2.875 1.00 0.00 C ATOM 220 C ARG A 18 -4.150 13.370 -3.265 1.00 0.00 C ATOM 221 O ARG A 18 -3.548 13.434 -4.336 1.00 0.00 O ATOM 222 CB ARG A 18 -4.398 11.533 -1.537 1.00 0.00 C ATOM 223 CG ARG A 18 -2.916 11.120 -1.542 1.00 0.00 C ATOM 224 CD ARG A 18 -2.401 10.696 -0.165 1.00 0.00 C ATOM 225 NE ARG A 18 -0.941 10.484 -0.186 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.200 9.827 0.712 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.770 9.177 1.722 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.121 9.816 0.623 1.00 0.00 N ATOM 0 H ARG A 18 -3.879 10.931 -4.301 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.949 12.361 -2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.552 12.282 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.004 10.667 -1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.778 10.297 -2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.315 11.953 -1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.650 11.460 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.900 9.779 0.147 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.439 10.885 -0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.785 9.175 1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.192 8.680 2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.585 10.313 -0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.675 9.311 1.315 1.00 0.00 H new ATOM 242 N LYS A 19 -4.193 14.398 -2.420 1.00 0.00 N ATOM 243 CA LYS A 19 -3.402 15.617 -2.573 1.00 0.00 C ATOM 244 C LYS A 19 -2.109 15.486 -1.763 1.00 0.00 C ATOM 245 O LYS A 19 -2.031 14.667 -0.846 1.00 0.00 O ATOM 246 CB LYS A 19 -4.219 16.837 -2.123 1.00 0.00 C ATOM 247 CG LYS A 19 -5.239 17.300 -3.173 1.00 0.00 C ATOM 248 CD LYS A 19 -6.607 16.599 -3.192 1.00 0.00 C ATOM 249 CE LYS A 19 -6.682 15.224 -3.878 1.00 0.00 C ATOM 250 NZ LYS A 19 -7.971 15.047 -4.581 1.00 0.00 N ATOM 0 H LYS A 19 -4.791 14.407 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.143 15.759 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.743 16.595 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.539 17.659 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.410 18.367 -3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.786 17.180 -4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.941 16.481 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.319 17.261 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.861 15.123 -4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.559 14.436 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.994 14.111 -5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.752 15.120 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.075 15.785 -5.306 1.00 0.00 H new ATOM 264 N GLU A 20 -1.102 16.311 -2.053 1.00 0.00 N ATOM 265 CA GLU A 20 0.179 16.275 -1.343 1.00 0.00 C ATOM 266 C GLU A 20 0.091 16.786 0.105 1.00 0.00 C ATOM 267 O GLU A 20 0.996 16.513 0.893 1.00 0.00 O ATOM 268 CB GLU A 20 1.274 17.040 -2.119 1.00 0.00 C ATOM 269 CG GLU A 20 2.130 16.110 -2.993 1.00 0.00 C ATOM 270 CD GLU A 20 3.520 16.657 -3.328 1.00 0.00 C ATOM 271 OE1 GLU A 20 4.273 16.980 -2.383 1.00 0.00 O ATOM 272 OE2 GLU A 20 3.924 16.616 -4.520 1.00 0.00 O ATOM 0 H GLU A 20 -1.150 17.021 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 20 0.454 15.222 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.807 17.798 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.917 17.564 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.243 15.154 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.597 15.913 -3.923 1.00 0.00 H new ATOM 279 N ASN A 21 -0.983 17.490 0.484 1.00 0.00 N ATOM 280 CA ASN A 21 -1.152 17.986 1.853 1.00 0.00 C ATOM 281 C ASN A 21 -1.866 16.976 2.764 1.00 0.00 C ATOM 282 O ASN A 21 -1.900 17.203 3.973 1.00 0.00 O ATOM 283 CB ASN A 21 -1.926 19.318 1.884 1.00 0.00 C ATOM 284 CG ASN A 21 -1.201 20.492 1.233 1.00 0.00 C ATOM 285 OD1 ASN A 21 0.021 20.610 1.261 1.00 0.00 O ATOM 286 ND2 ASN A 21 -1.935 21.366 0.564 1.00 0.00 N ATOM 0 H ASN A 21 -1.751 17.729 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.142 18.142 2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.884 19.178 1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.143 19.573 2.921 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.486 22.138 0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.950 21.268 0.541 1.00 0.00 H new ATOM 293 N GLU A 22 -2.447 15.888 2.243 1.00 0.00 N ATOM 294 CA GLU A 22 -3.379 15.017 2.977 1.00 0.00 C ATOM 295 C GLU A 22 -2.936 13.546 2.898 1.00 0.00 C ATOM 296 O GLU A 22 -1.967 13.222 2.207 1.00 0.00 O ATOM 297 CB GLU A 22 -4.812 15.230 2.436 1.00 0.00 C ATOM 298 CG GLU A 22 -4.950 14.673 1.011 1.00 0.00 C ATOM 299 CD GLU A 22 -6.282 14.922 0.304 1.00 0.00 C ATOM 300 OE1 GLU A 22 -7.098 15.768 0.735 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.478 14.294 -0.762 1.00 0.00 O ATOM 0 H GLU A 22 -2.281 15.582 1.284 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.373 15.283 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.530 14.739 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.052 16.293 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.155 15.100 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.780 13.597 1.048 1.00 0.00 H new ATOM 308 N GLY A 23 -3.633 12.646 3.597 1.00 0.00 N ATOM 309 CA GLY A 23 -3.381 11.208 3.593 1.00 0.00 C ATOM 310 C GLY A 23 -4.494 10.440 2.876 1.00 0.00 C ATOM 311 O GLY A 23 -5.488 11.022 2.438 1.00 0.00 O ATOM 0 H GLY A 23 -4.413 12.910 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.427 11.007 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.295 10.851 4.619 1.00 0.00 H new ATOM 315 N PHE A 24 -4.323 9.119 2.760 1.00 0.00 N ATOM 316 CA PHE A 24 -5.384 8.174 2.428 1.00 0.00 C ATOM 317 C PHE A 24 -6.022 7.733 3.750 1.00 0.00 C ATOM 318 O PHE A 24 -5.304 7.427 4.714 1.00 0.00 O ATOM 319 CB PHE A 24 -4.815 6.920 1.749 1.00 0.00 C ATOM 320 CG PHE A 24 -3.915 7.123 0.548 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.472 7.453 -0.701 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.532 6.873 0.653 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.644 7.575 -1.830 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.705 6.992 -0.480 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.260 7.348 -1.720 1.00 0.00 C ATOM 0 H PHE A 24 -3.418 8.670 2.899 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.095 8.650 1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.256 6.357 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.653 6.295 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.536 7.613 -0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.106 6.590 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.071 7.844 -2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.644 6.810 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.625 7.447 -2.588 1.00 0.00 H new ATOM 335 N GLY A 25 -7.345 7.636 3.792 1.00 0.00 N ATOM 336 CA GLY A 25 -8.111 7.300 4.983 1.00 0.00 C ATOM 337 C GLY A 25 -8.597 5.861 4.933 1.00 0.00 C ATOM 338 O GLY A 25 -9.794 5.634 4.834 1.00 0.00 O ATOM 0 H GLY A 25 -7.931 7.794 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.494 7.448 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.964 7.972 5.072 1.00 0.00 H new ATOM 342 N PHE A 26 -7.676 4.902 4.995 1.00 0.00 N ATOM 343 CA PHE A 26 -7.959 3.490 5.216 1.00 0.00 C ATOM 344 C PHE A 26 -6.988 2.961 6.274 1.00 0.00 C ATOM 345 O PHE A 26 -5.840 3.418 6.319 1.00 0.00 O ATOM 346 CB PHE A 26 -7.904 2.718 3.886 1.00 0.00 C ATOM 347 CG PHE A 26 -6.526 2.519 3.269 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.802 3.612 2.753 1.00 0.00 C ATOM 349 CD2 PHE A 26 -6.015 1.221 3.087 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.567 3.405 2.109 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.780 1.013 2.449 1.00 0.00 C ATOM 352 CZ PHE A 26 -4.046 2.110 1.970 1.00 0.00 C ATOM 0 H PHE A 26 -6.680 5.095 4.889 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.971 3.347 5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.352 1.737 4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.529 3.241 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.196 4.613 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.580 0.372 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.017 4.249 1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.396 0.011 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.087 1.958 1.498 1.00 0.00 H new ATOM 362 N VAL A 27 -7.430 2.012 7.108 1.00 0.00 N ATOM 363 CA VAL A 27 -6.594 1.299 8.077 1.00 0.00 C ATOM 364 C VAL A 27 -6.695 -0.189 7.748 1.00 0.00 C ATOM 365 O VAL A 27 -7.765 -0.666 7.349 1.00 0.00 O ATOM 366 CB VAL A 27 -7.017 1.553 9.546 1.00 0.00 C ATOM 367 CG1 VAL A 27 -5.909 1.140 10.528 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.402 3.007 9.845 1.00 0.00 C ATOM 0 H VAL A 27 -8.405 1.712 7.127 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.570 1.663 7.997 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.905 0.936 9.682 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.238 1.331 11.549 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.694 0.078 10.409 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.007 1.717 10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.685 3.100 10.893 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.552 3.658 9.639 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.243 3.298 9.215 1.00 0.00 H new ATOM 378 N ILE A 28 -5.605 -0.935 7.930 1.00 0.00 N ATOM 379 CA ILE A 28 -5.482 -2.320 7.536 1.00 0.00 C ATOM 380 C ILE A 28 -5.236 -3.130 8.809 1.00 0.00 C ATOM 381 O ILE A 28 -4.187 -3.009 9.448 1.00 0.00 O ATOM 382 CB ILE A 28 -4.376 -2.484 6.471 1.00 0.00 C ATOM 383 CG1 ILE A 28 -4.437 -1.471 5.299 1.00 0.00 C ATOM 384 CG2 ILE A 28 -4.518 -3.892 5.889 1.00 0.00 C ATOM 385 CD1 ILE A 28 -3.731 -0.139 5.592 1.00 0.00 C ATOM 0 H ILE A 28 -4.761 -0.570 8.371 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.390 -2.689 7.060 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.425 -2.304 6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.986 -1.924 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.481 -1.272 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.753 -4.051 5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.398 -4.628 6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.504 -4.002 5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.817 0.517 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.196 0.337 6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.678 -0.324 5.804 1.00 0.00 H new ATOM 397 N ILE A 29 -6.222 -3.931 9.205 1.00 0.00 N ATOM 398 CA ILE A 29 -6.252 -4.604 10.497 1.00 0.00 C ATOM 399 C ILE A 29 -5.994 -6.104 10.342 1.00 0.00 C ATOM 400 O ILE A 29 -6.045 -6.628 9.226 1.00 0.00 O ATOM 401 CB ILE A 29 -7.573 -4.283 11.227 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.826 -4.899 10.569 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.711 -2.761 11.400 1.00 0.00 C ATOM 404 CD1 ILE A 29 -10.075 -4.781 11.460 1.00 0.00 C ATOM 0 H ILE A 29 -7.036 -4.133 8.625 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.442 -4.227 11.122 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.517 -4.759 12.206 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.014 -4.403 9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.638 -5.950 10.349 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.645 -2.537 11.916 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.873 -2.384 11.986 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.713 -2.282 10.421 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.928 -5.229 10.951 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.900 -5.301 12.402 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.282 -3.729 11.659 1.00 0.00 H new ATOM 416 N SER A 30 -5.780 -6.783 11.476 1.00 0.00 N ATOM 417 CA SER A 30 -5.275 -8.152 11.606 1.00 0.00 C ATOM 418 C SER A 30 -3.763 -8.166 11.344 1.00 0.00 C ATOM 419 O SER A 30 -3.120 -7.127 11.146 1.00 0.00 O ATOM 420 CB SER A 30 -5.990 -9.132 10.656 1.00 0.00 C ATOM 421 OG SER A 30 -6.007 -10.482 11.081 1.00 0.00 O ATOM 0 H SER A 30 -5.968 -6.361 12.386 1.00 0.00 H new ATOM 0 HA SER A 30 -5.480 -8.488 12.623 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.019 -8.797 10.522 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.509 -9.082 9.679 1.00 0.00 H new ATOM 0 HG SER A 30 -5.951 -11.072 10.300 1.00 0.00 H new ATOM 427 N SER A 31 -3.218 -9.372 11.394 1.00 0.00 N ATOM 428 CA SER A 31 -1.958 -9.824 10.839 1.00 0.00 C ATOM 429 C SER A 31 -2.079 -11.354 10.699 1.00 0.00 C ATOM 430 O SER A 31 -3.114 -11.912 11.076 1.00 0.00 O ATOM 431 CB SER A 31 -0.805 -9.371 11.740 1.00 0.00 C ATOM 432 OG SER A 31 -1.125 -9.485 13.120 1.00 0.00 O ATOM 0 H SER A 31 -3.699 -10.133 11.874 1.00 0.00 H new ATOM 0 HA SER A 31 -1.741 -9.396 9.860 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.080 -9.970 11.523 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.553 -8.335 11.512 1.00 0.00 H new ATOM 0 HG SER A 31 -0.362 -9.188 13.658 1.00 0.00 H new ATOM 438 N LEU A 32 -1.084 -12.062 10.162 1.00 0.00 N ATOM 439 CA LEU A 32 -0.960 -13.508 10.361 1.00 0.00 C ATOM 440 C LEU A 32 0.523 -13.842 10.390 1.00 0.00 C ATOM 441 O LEU A 32 1.211 -13.652 9.388 1.00 0.00 O ATOM 442 CB LEU A 32 -1.719 -14.340 9.310 1.00 0.00 C ATOM 443 CG LEU A 32 -1.699 -15.839 9.704 1.00 0.00 C ATOM 444 CD1 LEU A 32 -3.087 -16.478 9.594 1.00 0.00 C ATOM 445 CD2 LEU A 32 -0.720 -16.643 8.848 1.00 0.00 C ATOM 0 H LEU A 32 -0.349 -11.656 9.583 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.431 -13.777 11.306 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.748 -13.990 9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.261 -14.207 8.330 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.372 -15.867 10.743 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.028 -17.528 9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.779 -15.960 10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.443 -16.400 8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.738 -17.688 9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.009 -16.571 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.287 -16.245 8.975 1.00 0.00 H new ATOM 457 N ASN A 33 1.011 -14.261 11.555 1.00 0.00 N ATOM 458 CA ASN A 33 2.424 -14.535 11.784 1.00 0.00 C ATOM 459 C ASN A 33 2.823 -15.848 11.109 1.00 0.00 C ATOM 460 O ASN A 33 2.063 -16.818 11.161 1.00 0.00 O ATOM 461 CB ASN A 33 2.703 -14.626 13.297 1.00 0.00 C ATOM 462 CG ASN A 33 3.521 -13.449 13.808 1.00 0.00 C ATOM 463 OD1 ASN A 33 4.748 -13.492 13.784 1.00 0.00 O ATOM 464 ND2 ASN A 33 2.892 -12.398 14.289 1.00 0.00 N ATOM 0 H ASN A 33 0.427 -14.421 12.376 1.00 0.00 H new ATOM 0 HA ASN A 33 3.012 -13.722 11.357 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.757 -14.669 13.836 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.234 -15.554 13.511 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.424 -11.605 14.648 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.872 -12.376 14.303 1.00 0.00 H new ATOM 471 N ARG A 34 4.065 -15.907 10.605 1.00 0.00 N ATOM 472 CA ARG A 34 4.672 -17.032 9.877 1.00 0.00 C ATOM 473 C ARG A 34 3.922 -17.320 8.561 1.00 0.00 C ATOM 474 O ARG A 34 2.804 -16.841 8.371 1.00 0.00 O ATOM 475 CB ARG A 34 4.825 -18.254 10.809 1.00 0.00 C ATOM 476 CG ARG A 34 5.899 -18.034 11.884 1.00 0.00 C ATOM 477 CD ARG A 34 6.041 -19.299 12.740 1.00 0.00 C ATOM 478 NE ARG A 34 7.117 -19.181 13.738 1.00 0.00 N ATOM 479 CZ ARG A 34 8.421 -19.385 13.518 1.00 0.00 C ATOM 480 NH1 ARG A 34 8.864 -19.725 12.311 1.00 0.00 N ATOM 481 NH2 ARG A 34 9.292 -19.271 14.508 1.00 0.00 N ATOM 0 H ARG A 34 4.711 -15.124 10.700 1.00 0.00 H new ATOM 0 HA ARG A 34 5.682 -16.763 9.568 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.870 -18.463 11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.082 -19.131 10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.853 -17.792 11.415 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.629 -17.186 12.513 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.098 -19.499 13.248 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.241 -20.153 12.092 1.00 0.00 H new ATOM 0 HE ARG A 34 6.843 -18.919 14.685 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.207 -19.833 11.538 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.861 -19.877 12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.970 -19.026 15.445 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.285 -19.428 14.334 1.00 0.00 H new ATOM 495 N PRO A 35 4.518 -18.049 7.599 1.00 0.00 N ATOM 496 CA PRO A 35 3.941 -18.129 6.261 1.00 0.00 C ATOM 497 C PRO A 35 2.632 -18.919 6.204 1.00 0.00 C ATOM 498 O PRO A 35 1.761 -18.522 5.432 1.00 0.00 O ATOM 499 CB PRO A 35 5.032 -18.712 5.357 1.00 0.00 C ATOM 500 CG PRO A 35 5.944 -19.452 6.323 1.00 0.00 C ATOM 501 CD PRO A 35 5.873 -18.580 7.575 1.00 0.00 C ATOM 0 HA PRO A 35 3.644 -17.137 5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.614 -19.384 4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.568 -17.929 4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.595 -20.467 6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.962 -19.532 5.941 1.00 0.00 H new ATOM 0 HD2 PRO A 35 6.083 -19.163 8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.609 -17.777 7.537 1.00 0.00 H new ATOM 509 N GLU A 36 2.482 -19.967 7.026 1.00 0.00 N ATOM 510 CA GLU A 36 1.416 -20.972 6.964 1.00 0.00 C ATOM 511 C GLU A 36 1.432 -21.708 5.618 1.00 0.00 C ATOM 512 O GLU A 36 1.122 -21.155 4.562 1.00 0.00 O ATOM 513 CB GLU A 36 0.031 -20.383 7.312 1.00 0.00 C ATOM 514 CG GLU A 36 -0.402 -20.693 8.749 1.00 0.00 C ATOM 515 CD GLU A 36 -1.025 -22.084 8.884 1.00 0.00 C ATOM 516 OE1 GLU A 36 -0.284 -23.073 9.097 1.00 0.00 O ATOM 517 OE2 GLU A 36 -2.271 -22.191 8.832 1.00 0.00 O ATOM 0 H GLU A 36 3.134 -20.144 7.790 1.00 0.00 H new ATOM 0 HA GLU A 36 1.617 -21.715 7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.054 -19.303 7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.712 -20.780 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.462 -20.619 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.121 -19.943 9.079 1.00 0.00 H new ATOM 524 N SER A 37 1.839 -22.976 5.641 1.00 0.00 N ATOM 525 CA SER A 37 1.860 -23.813 4.457 1.00 0.00 C ATOM 526 C SER A 37 0.448 -24.320 4.163 1.00 0.00 C ATOM 527 O SER A 37 0.047 -25.371 4.675 1.00 0.00 O ATOM 528 CB SER A 37 2.889 -24.930 4.637 1.00 0.00 C ATOM 529 OG SER A 37 3.191 -25.505 3.385 1.00 0.00 O ATOM 0 H SER A 37 2.163 -23.447 6.486 1.00 0.00 H new ATOM 0 HA SER A 37 2.173 -23.242 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.795 -24.532 5.093 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.499 -25.691 5.313 1.00 0.00 H new ATOM 0 HG SER A 37 3.852 -26.219 3.504 1.00 0.00 H new ATOM 535 N GLY A 38 -0.309 -23.591 3.345 1.00 0.00 N ATOM 536 CA GLY A 38 -1.639 -24.006 2.949 1.00 0.00 C ATOM 537 C GLY A 38 -2.540 -22.821 2.667 1.00 0.00 C ATOM 538 O GLY A 38 -2.091 -21.768 2.196 1.00 0.00 O ATOM 0 H GLY A 38 -0.013 -22.701 2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.574 -24.632 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.079 -24.617 3.738 1.00 0.00 H new ATOM 542 N SER A 39 -3.830 -23.055 2.866 1.00 0.00 N ATOM 543 CA SER A 39 -4.876 -22.056 2.898 1.00 0.00 C ATOM 544 C SER A 39 -4.794 -21.312 4.237 1.00 0.00 C ATOM 545 O SER A 39 -4.386 -21.895 5.241 1.00 0.00 O ATOM 546 CB SER A 39 -6.197 -22.813 2.789 1.00 0.00 C ATOM 547 OG SER A 39 -6.301 -23.498 1.542 1.00 0.00 O ATOM 0 H SER A 39 -4.188 -23.998 3.017 1.00 0.00 H new ATOM 0 HA SER A 39 -4.784 -21.329 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.277 -23.529 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.028 -22.115 2.893 1.00 0.00 H new ATOM 0 HG SER A 39 -7.156 -23.975 1.501 1.00 0.00 H new ATOM 553 N THR A 40 -5.189 -20.040 4.261 1.00 0.00 N ATOM 554 CA THR A 40 -5.092 -19.190 5.442 1.00 0.00 C ATOM 555 C THR A 40 -6.476 -18.634 5.766 1.00 0.00 C ATOM 556 O THR A 40 -7.028 -17.851 4.994 1.00 0.00 O ATOM 557 CB THR A 40 -3.998 -18.126 5.234 1.00 0.00 C ATOM 558 OG1 THR A 40 -4.095 -17.504 3.959 1.00 0.00 O ATOM 559 CG2 THR A 40 -2.615 -18.781 5.331 1.00 0.00 C ATOM 0 H THR A 40 -5.590 -19.567 3.451 1.00 0.00 H new ATOM 0 HA THR A 40 -4.777 -19.755 6.319 1.00 0.00 H new ATOM 0 HB THR A 40 -4.135 -17.371 6.008 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.385 -16.835 3.867 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.843 -18.025 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.495 -19.234 6.315 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.522 -19.550 4.564 1.00 0.00 H new ATOM 567 N ILE A 41 -7.074 -19.097 6.871 1.00 0.00 N ATOM 568 CA ILE A 41 -8.442 -18.741 7.235 1.00 0.00 C ATOM 569 C ILE A 41 -8.538 -17.238 7.480 1.00 0.00 C ATOM 570 O ILE A 41 -9.174 -16.522 6.702 1.00 0.00 O ATOM 571 CB ILE A 41 -8.950 -19.612 8.411 1.00 0.00 C ATOM 572 CG1 ILE A 41 -8.952 -21.118 8.068 1.00 0.00 C ATOM 573 CG2 ILE A 41 -10.354 -19.181 8.877 1.00 0.00 C ATOM 574 CD1 ILE A 41 -9.799 -21.519 6.852 1.00 0.00 C ATOM 0 H ILE A 41 -6.621 -19.727 7.533 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.116 -18.962 6.408 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.246 -19.452 9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.924 -21.434 7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.311 -21.670 8.937 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.674 -19.816 9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.325 -18.143 9.208 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.058 -19.279 8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.730 -22.596 6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.839 -21.243 7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.430 -21.003 5.966 1.00 0.00 H new ATOM 586 N THR A 42 -7.976 -16.763 8.585 1.00 0.00 N ATOM 587 CA THR A 42 -8.011 -15.357 8.964 1.00 0.00 C ATOM 588 C THR A 42 -6.917 -14.631 8.177 1.00 0.00 C ATOM 589 O THR A 42 -5.727 -14.914 8.329 1.00 0.00 O ATOM 590 CB THR A 42 -7.917 -15.201 10.493 1.00 0.00 C ATOM 591 OG1 THR A 42 -8.864 -16.057 11.110 1.00 0.00 O ATOM 592 CG2 THR A 42 -8.285 -13.777 10.932 1.00 0.00 C ATOM 0 H THR A 42 -7.477 -17.352 9.251 1.00 0.00 H new ATOM 0 HA THR A 42 -8.963 -14.893 8.704 1.00 0.00 H new ATOM 0 HB THR A 42 -6.892 -15.437 10.780 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.806 -15.962 12.084 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.209 -13.700 12.017 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.602 -13.065 10.468 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.306 -13.553 10.623 1.00 0.00 H new ATOM 600 N VAL A 43 -7.327 -13.723 7.295 1.00 0.00 N ATOM 601 CA VAL A 43 -6.433 -13.019 6.383 1.00 0.00 C ATOM 602 C VAL A 43 -5.464 -12.116 7.191 1.00 0.00 C ATOM 603 O VAL A 43 -5.810 -11.685 8.299 1.00 0.00 O ATOM 604 CB VAL A 43 -7.319 -12.284 5.349 1.00 0.00 C ATOM 605 CG1 VAL A 43 -8.226 -11.245 6.010 1.00 0.00 C ATOM 606 CG2 VAL A 43 -6.551 -11.611 4.206 1.00 0.00 C ATOM 0 H VAL A 43 -8.305 -13.452 7.193 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.778 -13.689 5.825 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.916 -13.083 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.831 -10.753 5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.880 -11.738 6.730 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.615 -10.503 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.255 -11.122 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.866 -10.869 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.985 -12.363 3.656 1.00 0.00 H new ATOM 616 N PRO A 44 -4.248 -11.830 6.677 1.00 0.00 N ATOM 617 CA PRO A 44 -3.303 -10.935 7.341 1.00 0.00 C ATOM 618 C PRO A 44 -3.614 -9.448 7.151 1.00 0.00 C ATOM 619 O PRO A 44 -3.262 -8.665 8.028 1.00 0.00 O ATOM 620 CB PRO A 44 -1.926 -11.254 6.746 1.00 0.00 C ATOM 621 CG PRO A 44 -2.270 -11.777 5.355 1.00 0.00 C ATOM 622 CD PRO A 44 -3.571 -12.536 5.596 1.00 0.00 C ATOM 0 HA PRO A 44 -3.356 -11.103 8.417 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.291 -10.369 6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.393 -11.998 7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.401 -10.966 4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.488 -12.427 4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.185 -12.555 4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.374 -13.573 5.869 1.00 0.00 H new ATOM 630 N HIS A 45 -4.189 -9.030 6.018 1.00 0.00 N ATOM 631 CA HIS A 45 -4.479 -7.630 5.707 1.00 0.00 C ATOM 632 C HIS A 45 -5.908 -7.549 5.170 1.00 0.00 C ATOM 633 O HIS A 45 -6.261 -8.211 4.194 1.00 0.00 O ATOM 634 CB HIS A 45 -3.457 -7.061 4.701 1.00 0.00 C ATOM 635 CG HIS A 45 -2.174 -6.542 5.321 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.560 -7.011 6.459 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.451 -5.456 4.896 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.479 -6.252 6.693 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.384 -5.268 5.781 1.00 0.00 N ATOM 0 H HIS A 45 -4.471 -9.671 5.277 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.395 -7.021 6.607 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.206 -7.839 3.980 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.929 -6.251 4.145 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.872 -7.799 7.026 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.668 -4.851 4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.219 -6.409 7.502 1.00 0.00 H new ATOM 647 N LYS A 46 -6.769 -6.771 5.832 1.00 0.00 N ATOM 648 CA LYS A 46 -8.109 -6.415 5.369 1.00 0.00 C ATOM 649 C LYS A 46 -8.379 -5.003 5.846 1.00 0.00 C ATOM 650 O LYS A 46 -7.888 -4.608 6.906 1.00 0.00 O ATOM 651 CB LYS A 46 -9.222 -7.383 5.830 1.00 0.00 C ATOM 652 CG LYS A 46 -9.423 -7.522 7.350 1.00 0.00 C ATOM 653 CD LYS A 46 -10.884 -7.454 7.801 1.00 0.00 C ATOM 654 CE LYS A 46 -10.887 -7.581 9.328 1.00 0.00 C ATOM 655 NZ LYS A 46 -12.217 -7.929 9.863 1.00 0.00 N ATOM 0 H LYS A 46 -6.542 -6.358 6.737 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.130 -6.488 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.164 -7.055 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.006 -8.371 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.998 -8.472 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.863 -6.733 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.340 -6.514 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.466 -8.256 7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.168 -8.343 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.557 -6.640 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.166 -8.003 10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.900 -7.190 9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.524 -8.840 9.466 1.00 0.00 H new ATOM 669 N ILE A 47 -9.171 -4.259 5.092 1.00 0.00 N ATOM 670 CA ILE A 47 -9.596 -2.932 5.494 1.00 0.00 C ATOM 671 C ILE A 47 -10.425 -3.086 6.771 1.00 0.00 C ATOM 672 O ILE A 47 -11.396 -3.853 6.783 1.00 0.00 O ATOM 673 CB ILE A 47 -10.404 -2.290 4.356 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.671 -2.283 3.007 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.865 -0.867 4.733 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.509 -1.305 2.909 1.00 0.00 C ATOM 0 H ILE A 47 -9.535 -4.558 4.187 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.748 -2.277 5.695 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.281 -2.924 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.298 -3.288 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.390 -2.049 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.434 -0.438 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.493 -0.912 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.994 -0.244 4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.057 -1.375 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.873 -0.290 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.764 -1.548 3.667 1.00 0.00 H new ATOM 688 N GLY A 48 -10.054 -2.365 7.829 1.00 0.00 N ATOM 689 CA GLY A 48 -10.762 -2.368 9.103 1.00 0.00 C ATOM 690 C GLY A 48 -11.704 -1.186 9.255 1.00 0.00 C ATOM 691 O GLY A 48 -12.798 -1.343 9.797 1.00 0.00 O ATOM 0 H GLY A 48 -9.238 -1.753 7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.330 -3.294 9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.037 -2.356 9.917 1.00 0.00 H new ATOM 695 N ARG A 49 -11.299 -0.016 8.761 1.00 0.00 N ATOM 696 CA ARG A 49 -12.010 1.248 8.905 1.00 0.00 C ATOM 697 C ARG A 49 -11.546 2.174 7.794 1.00 0.00 C ATOM 698 O ARG A 49 -10.372 2.129 7.410 1.00 0.00 O ATOM 699 CB ARG A 49 -11.650 1.841 10.280 1.00 0.00 C ATOM 700 CG ARG A 49 -12.281 3.211 10.557 1.00 0.00 C ATOM 701 CD ARG A 49 -11.855 3.771 11.912 1.00 0.00 C ATOM 702 NE ARG A 49 -12.432 3.052 13.059 1.00 0.00 N ATOM 703 CZ ARG A 49 -12.303 3.466 14.325 1.00 0.00 C ATOM 704 NH1 ARG A 49 -11.642 4.577 14.623 1.00 0.00 N ATOM 705 NH2 ARG A 49 -12.851 2.791 15.321 1.00 0.00 N ATOM 0 H ARG A 49 -10.433 0.078 8.230 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.090 1.114 8.839 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.964 1.145 11.057 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.566 1.931 10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.995 3.908 9.770 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.367 3.123 10.526 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.768 3.737 11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.146 4.820 11.969 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.956 2.196 12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.220 5.134 13.880 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.556 4.874 15.595 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.382 1.941 15.130 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.743 3.120 16.280 1.00 0.00 H new ATOM 719 N ILE A 50 -12.436 3.051 7.352 1.00 0.00 N ATOM 720 CA ILE A 50 -12.194 4.131 6.414 1.00 0.00 C ATOM 721 C ILE A 50 -12.716 5.411 7.078 1.00 0.00 C ATOM 722 O ILE A 50 -13.860 5.427 7.538 1.00 0.00 O ATOM 723 CB ILE A 50 -12.865 3.755 5.074 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.981 2.708 4.358 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.129 4.964 4.172 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.561 2.222 3.027 1.00 0.00 C ATOM 0 H ILE A 50 -13.408 3.023 7.661 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.144 4.302 6.177 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.847 3.336 5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.995 3.138 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.840 1.852 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.601 4.632 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.788 5.664 4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.185 5.458 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.887 1.490 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.534 1.762 3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.676 3.068 2.349 1.00 0.00 H new ATOM 738 N ILE A 51 -11.878 6.449 7.209 1.00 0.00 N ATOM 739 CA ILE A 51 -12.262 7.802 7.591 1.00 0.00 C ATOM 740 C ILE A 51 -13.340 8.325 6.637 1.00 0.00 C ATOM 741 O ILE A 51 -13.182 8.250 5.414 1.00 0.00 O ATOM 742 CB ILE A 51 -10.990 8.686 7.612 1.00 0.00 C ATOM 743 CG1 ILE A 51 -10.262 8.577 8.963 1.00 0.00 C ATOM 744 CG2 ILE A 51 -11.267 10.182 7.411 1.00 0.00 C ATOM 745 CD1 ILE A 51 -9.530 7.278 9.241 1.00 0.00 C ATOM 0 H ILE A 51 -10.876 6.358 7.044 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.698 7.821 8.590 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.392 8.309 6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.543 9.393 9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.993 8.732 9.757 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -10.327 10.733 7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.750 10.336 6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.921 10.541 8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.060 7.328 10.223 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.238 6.450 9.220 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.765 7.121 8.480 1.00 0.00 H new ATOM 757 N ASP A 52 -14.391 8.902 7.219 1.00 0.00 N ATOM 758 CA ASP A 52 -15.479 9.565 6.511 1.00 0.00 C ATOM 759 C ASP A 52 -14.907 10.685 5.639 1.00 0.00 C ATOM 760 O ASP A 52 -14.136 11.533 6.112 1.00 0.00 O ATOM 761 CB ASP A 52 -16.489 10.116 7.528 1.00 0.00 C ATOM 762 CG ASP A 52 -17.803 10.589 6.903 1.00 0.00 C ATOM 763 OD1 ASP A 52 -17.795 11.303 5.876 1.00 0.00 O ATOM 764 OD2 ASP A 52 -18.873 10.255 7.455 1.00 0.00 O ATOM 0 H ASP A 52 -14.510 8.920 8.232 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.996 8.855 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.706 9.343 8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.033 10.948 8.064 1.00 0.00 H new ATOM 769 N GLY A 53 -15.265 10.664 4.356 1.00 0.00 N ATOM 770 CA GLY A 53 -14.928 11.694 3.394 1.00 0.00 C ATOM 771 C GLY A 53 -13.510 11.576 2.851 1.00 0.00 C ATOM 772 O GLY A 53 -13.081 12.465 2.118 1.00 0.00 O ATOM 0 H GLY A 53 -15.813 9.904 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.632 11.649 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.050 12.671 3.862 1.00 0.00 H new ATOM 776 N SER A 54 -12.765 10.521 3.196 1.00 0.00 N ATOM 777 CA SER A 54 -11.460 10.296 2.593 1.00 0.00 C ATOM 778 C SER A 54 -11.592 10.006 1.094 1.00 0.00 C ATOM 779 O SER A 54 -12.648 9.559 0.643 1.00 0.00 O ATOM 780 CB SER A 54 -10.742 9.139 3.285 1.00 0.00 C ATOM 781 OG SER A 54 -11.524 7.963 3.338 1.00 0.00 O ATOM 0 H SER A 54 -13.044 9.820 3.882 1.00 0.00 H new ATOM 0 HA SER A 54 -10.872 11.205 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.811 8.928 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.474 9.438 4.298 1.00 0.00 H new ATOM 0 HG SER A 54 -12.035 7.947 4.174 1.00 0.00 H new ATOM 787 N PRO A 55 -10.494 10.126 0.329 1.00 0.00 N ATOM 788 CA PRO A 55 -10.459 9.643 -1.038 1.00 0.00 C ATOM 789 C PRO A 55 -10.709 8.132 -1.123 1.00 0.00 C ATOM 790 O PRO A 55 -11.267 7.682 -2.120 1.00 0.00 O ATOM 791 CB PRO A 55 -9.099 10.064 -1.602 1.00 0.00 C ATOM 792 CG PRO A 55 -8.247 10.522 -0.417 1.00 0.00 C ATOM 793 CD PRO A 55 -9.252 10.782 0.708 1.00 0.00 C ATOM 0 HA PRO A 55 -11.263 10.076 -1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.623 9.232 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.215 10.869 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.523 9.759 -0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.683 11.422 -0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.881 10.389 1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.408 11.852 0.846 1.00 0.00 H new ATOM 801 N ALA A 56 -10.354 7.347 -0.092 1.00 0.00 N ATOM 802 CA ALA A 56 -10.700 5.931 -0.040 1.00 0.00 C ATOM 803 C ALA A 56 -12.219 5.755 -0.069 1.00 0.00 C ATOM 804 O ALA A 56 -12.726 5.043 -0.933 1.00 0.00 O ATOM 805 CB ALA A 56 -10.071 5.263 1.191 1.00 0.00 C ATOM 0 H ALA A 56 -9.826 7.678 0.715 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.292 5.435 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.342 4.207 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.986 5.359 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.438 5.748 2.096 1.00 0.00 H new ATOM 811 N ASP A 57 -12.934 6.437 0.833 1.00 0.00 N ATOM 812 CA ASP A 57 -14.392 6.358 0.905 1.00 0.00 C ATOM 813 C ASP A 57 -15.027 6.856 -0.391 1.00 0.00 C ATOM 814 O ASP A 57 -15.843 6.163 -1.000 1.00 0.00 O ATOM 815 CB ASP A 57 -14.934 7.172 2.091 1.00 0.00 C ATOM 816 CG ASP A 57 -16.342 6.706 2.450 1.00 0.00 C ATOM 817 OD1 ASP A 57 -17.319 7.124 1.794 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.491 5.914 3.409 1.00 0.00 O ATOM 0 H ASP A 57 -12.518 7.056 1.529 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.655 5.310 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.275 7.058 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.947 8.232 1.838 1.00 0.00 H new ATOM 823 N ARG A 58 -14.643 8.058 -0.834 1.00 0.00 N ATOM 824 CA ARG A 58 -15.266 8.727 -1.976 1.00 0.00 C ATOM 825 C ARG A 58 -15.061 7.952 -3.277 1.00 0.00 C ATOM 826 O ARG A 58 -15.946 7.999 -4.133 1.00 0.00 O ATOM 827 CB ARG A 58 -14.771 10.180 -2.088 1.00 0.00 C ATOM 828 CG ARG A 58 -15.253 11.050 -0.911 1.00 0.00 C ATOM 829 CD ARG A 58 -14.748 12.499 -1.015 1.00 0.00 C ATOM 830 NE ARG A 58 -15.063 13.277 0.198 1.00 0.00 N ATOM 831 CZ ARG A 58 -16.265 13.736 0.566 1.00 0.00 C ATOM 832 NH1 ARG A 58 -17.313 13.620 -0.245 1.00 0.00 N ATOM 833 NH2 ARG A 58 -16.428 14.321 1.749 1.00 0.00 N ATOM 0 H ARG A 58 -13.888 8.595 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.342 8.752 -1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.682 10.190 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.124 10.611 -3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.343 11.048 -0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.909 10.613 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.670 12.498 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.199 12.980 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.283 13.487 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.205 13.178 -1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.225 13.973 0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.634 14.422 2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.347 14.669 2.024 1.00 0.00 H new ATOM 847 N CYS A 59 -13.964 7.194 -3.405 1.00 0.00 N ATOM 848 CA CYS A 59 -13.690 6.314 -4.540 1.00 0.00 C ATOM 849 C CYS A 59 -14.750 5.217 -4.704 1.00 0.00 C ATOM 850 O CYS A 59 -14.864 4.664 -5.797 1.00 0.00 O ATOM 851 CB CYS A 59 -12.269 5.741 -4.379 1.00 0.00 C ATOM 852 SG CYS A 59 -11.711 4.705 -5.772 1.00 0.00 S ATOM 0 H CYS A 59 -13.226 7.178 -2.702 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.743 6.892 -5.463 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.569 6.567 -4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.231 5.150 -3.464 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.744 4.210 -6.386 1.00 0.00 H new ATOM 858 N ALA A 60 -15.537 4.916 -3.661 1.00 0.00 N ATOM 859 CA ALA A 60 -16.704 4.037 -3.707 1.00 0.00 C ATOM 860 C ALA A 60 -16.411 2.628 -4.250 1.00 0.00 C ATOM 861 O ALA A 60 -17.331 1.946 -4.698 1.00 0.00 O ATOM 862 CB ALA A 60 -17.848 4.737 -4.455 1.00 0.00 C ATOM 0 H ALA A 60 -15.368 5.295 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.014 3.857 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.717 4.080 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.110 5.660 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.530 4.969 -5.471 1.00 0.00 H new ATOM 868 N LYS A 61 -15.157 2.160 -4.200 1.00 0.00 N ATOM 869 CA LYS A 61 -14.745 0.821 -4.649 1.00 0.00 C ATOM 870 C LYS A 61 -13.909 0.073 -3.621 1.00 0.00 C ATOM 871 O LYS A 61 -13.375 -0.995 -3.920 1.00 0.00 O ATOM 872 CB LYS A 61 -14.040 0.910 -6.014 1.00 0.00 C ATOM 873 CG LYS A 61 -15.084 1.131 -7.112 1.00 0.00 C ATOM 874 CD LYS A 61 -14.587 0.705 -8.497 1.00 0.00 C ATOM 875 CE LYS A 61 -13.533 1.665 -9.055 1.00 0.00 C ATOM 876 NZ LYS A 61 -13.261 1.367 -10.475 1.00 0.00 N ATOM 0 H LYS A 61 -14.381 2.714 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.652 0.227 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.320 1.729 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.481 -0.006 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.987 0.571 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -15.360 2.185 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.166 -0.299 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.431 0.656 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.879 2.693 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.613 1.580 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.544 2.028 -10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.910 0.392 -10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.137 1.471 -11.026 1.00 0.00 H new ATOM 890 N LEU A 62 -13.785 0.605 -2.409 1.00 0.00 N ATOM 891 CA LEU A 62 -13.009 -0.012 -1.344 1.00 0.00 C ATOM 892 C LEU A 62 -13.760 0.182 -0.034 1.00 0.00 C ATOM 893 O LEU A 62 -13.992 1.328 0.347 1.00 0.00 O ATOM 894 CB LEU A 62 -11.602 0.628 -1.269 1.00 0.00 C ATOM 895 CG LEU A 62 -10.436 -0.375 -1.172 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.213 0.333 -0.584 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.740 -1.595 -0.311 1.00 0.00 C ATOM 0 H LEU A 62 -14.225 1.484 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.879 -1.077 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.454 1.250 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.566 1.290 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.256 -0.733 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.384 -0.371 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.928 1.164 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.454 0.711 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.871 -2.253 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.974 -1.275 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.592 -2.131 -0.728 1.00 0.00 H new ATOM 909 N LYS A 63 -14.158 -0.895 0.651 1.00 0.00 N ATOM 910 CA LYS A 63 -14.821 -0.812 1.954 1.00 0.00 C ATOM 911 C LYS A 63 -14.165 -1.760 2.951 1.00 0.00 C ATOM 912 O LYS A 63 -13.397 -2.650 2.585 1.00 0.00 O ATOM 913 CB LYS A 63 -16.329 -1.092 1.825 1.00 0.00 C ATOM 914 CG LYS A 63 -17.031 -0.183 0.804 1.00 0.00 C ATOM 915 CD LYS A 63 -17.197 -0.789 -0.597 1.00 0.00 C ATOM 916 CE LYS A 63 -18.551 -1.478 -0.802 1.00 0.00 C ATOM 917 NZ LYS A 63 -18.737 -2.689 0.022 1.00 0.00 N ATOM 0 H LYS A 63 -14.029 -1.850 0.316 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.707 0.204 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.475 -2.133 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.800 -0.964 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.016 0.078 1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.466 0.745 0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.081 -0.002 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.399 -1.512 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.347 -0.769 -0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.656 -1.746 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.673 -3.099 -0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.000 -3.384 -0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.669 -2.438 1.029 1.00 0.00 H new ATOM 931 N VAL A 64 -14.450 -1.581 4.241 1.00 0.00 N ATOM 932 CA VAL A 64 -14.026 -2.494 5.283 1.00 0.00 C ATOM 933 C VAL A 64 -14.541 -3.899 4.982 1.00 0.00 C ATOM 934 O VAL A 64 -15.659 -4.077 4.498 1.00 0.00 O ATOM 935 CB VAL A 64 -14.284 -1.948 6.695 1.00 0.00 C ATOM 936 CG1 VAL A 64 -15.188 -0.740 6.707 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.717 -2.973 7.751 1.00 0.00 C ATOM 0 H VAL A 64 -14.988 -0.787 4.588 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.940 -2.583 5.279 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.287 -1.636 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.331 -0.403 7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.734 0.060 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -16.153 -1.003 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.869 -2.470 8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -15.648 -3.447 7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.942 -3.732 7.860 1.00 0.00 H new ATOM 947 N GLY A 65 -13.708 -4.895 5.261 1.00 0.00 N ATOM 948 CA GLY A 65 -13.976 -6.284 4.946 1.00 0.00 C ATOM 949 C GLY A 65 -13.411 -6.671 3.584 1.00 0.00 C ATOM 950 O GLY A 65 -13.403 -7.864 3.274 1.00 0.00 O ATOM 0 H GLY A 65 -12.810 -4.751 5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.541 -6.922 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.052 -6.459 4.957 1.00 0.00 H new ATOM 954 N ASP A 66 -12.888 -5.718 2.796 1.00 0.00 N ATOM 955 CA ASP A 66 -12.112 -6.055 1.615 1.00 0.00 C ATOM 956 C ASP A 66 -10.750 -6.541 2.092 1.00 0.00 C ATOM 957 O ASP A 66 -9.859 -5.781 2.479 1.00 0.00 O ATOM 958 CB ASP A 66 -12.035 -4.923 0.578 1.00 0.00 C ATOM 959 CG ASP A 66 -13.329 -4.815 -0.239 1.00 0.00 C ATOM 960 OD1 ASP A 66 -13.881 -5.875 -0.628 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.803 -3.682 -0.512 1.00 0.00 O ATOM 0 H ASP A 66 -12.993 -4.717 2.962 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.614 -6.849 1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.844 -3.977 1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.194 -5.100 -0.093 1.00 0.00 H new ATOM 966 N ARG A 67 -10.657 -7.863 2.164 1.00 0.00 N ATOM 967 CA ARG A 67 -9.430 -8.656 2.183 1.00 0.00 C ATOM 968 C ARG A 67 -8.458 -8.146 1.114 1.00 0.00 C ATOM 969 O ARG A 67 -8.844 -7.987 -0.047 1.00 0.00 O ATOM 970 CB ARG A 67 -9.771 -10.132 1.911 1.00 0.00 C ATOM 971 CG ARG A 67 -10.744 -10.745 2.931 1.00 0.00 C ATOM 972 CD ARG A 67 -10.886 -12.257 2.725 1.00 0.00 C ATOM 973 NE ARG A 67 -11.767 -12.541 1.584 1.00 0.00 N ATOM 974 CZ ARG A 67 -11.567 -13.334 0.530 1.00 0.00 C ATOM 975 NH1 ARG A 67 -10.405 -13.939 0.315 1.00 0.00 N ATOM 976 NH2 ARG A 67 -12.572 -13.499 -0.315 1.00 0.00 N ATOM 0 H ARG A 67 -11.490 -8.450 2.214 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.959 -8.564 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.204 -10.217 0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.849 -10.713 1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.388 -10.545 3.942 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.720 -10.270 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.905 -12.700 2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.290 -12.716 3.627 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.666 -12.060 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.632 -13.804 0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.286 -14.539 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.461 -13.027 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.458 -14.098 -1.133 1.00 0.00 H new ATOM 990 N ILE A 68 -7.200 -7.918 1.490 1.00 0.00 N ATOM 991 CA ILE A 68 -6.167 -7.376 0.616 1.00 0.00 C ATOM 992 C ILE A 68 -5.151 -8.495 0.377 1.00 0.00 C ATOM 993 O ILE A 68 -4.875 -9.317 1.255 1.00 0.00 O ATOM 994 CB ILE A 68 -5.523 -6.096 1.207 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.546 -5.163 1.890 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.783 -5.319 0.099 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.920 -3.931 2.550 1.00 0.00 C ATOM 0 H ILE A 68 -6.866 -8.111 2.434 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.594 -7.056 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.824 -6.426 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.275 -4.835 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.092 -5.729 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.333 -4.421 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.003 -5.949 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.489 -5.037 -0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.703 -3.326 3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.213 -4.249 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.398 -3.340 1.797 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.611 -8.537 -0.837 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.763 -9.570 -1.383 1.00 0.00 C ATOM 1011 C LEU A 69 -2.366 -8.989 -1.592 1.00 0.00 C ATOM 1012 O LEU A 69 -1.362 -9.638 -1.286 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.451 -9.987 -2.696 1.00 0.00 C ATOM 1014 CG LEU A 69 -3.525 -10.480 -3.803 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -2.858 -11.807 -3.445 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.312 -10.654 -5.098 1.00 0.00 C ATOM 0 H LEU A 69 -4.773 -7.788 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.637 -10.440 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.171 -10.774 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.017 -9.136 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.744 -9.730 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.208 -12.120 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.267 -11.684 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.623 -12.566 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.645 -11.006 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.109 -11.382 -4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.746 -9.698 -5.391 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.313 -7.784 -2.156 1.00 0.00 N ATOM 1029 CA ALA A 70 -1.072 -7.106 -2.485 1.00 0.00 C ATOM 1030 C ALA A 70 -1.262 -5.586 -2.546 1.00 0.00 C ATOM 1031 O ALA A 70 -2.390 -5.093 -2.545 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.570 -7.658 -3.829 1.00 0.00 C ATOM 0 H ALA A 70 -3.146 -7.248 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.333 -7.293 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.363 -7.164 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.400 -8.731 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.317 -7.471 -4.601 1.00 0.00 H new ATOM 1038 N VAL A 71 -0.163 -4.842 -2.654 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.143 -3.391 -2.845 1.00 0.00 C ATOM 1040 C VAL A 71 0.804 -3.082 -3.989 1.00 0.00 C ATOM 1041 O VAL A 71 1.943 -3.530 -3.955 1.00 0.00 O ATOM 1042 CB VAL A 71 0.215 -2.675 -1.536 1.00 0.00 C ATOM 1043 CG1 VAL A 71 1.664 -2.852 -1.082 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.086 -1.173 -1.627 1.00 0.00 C ATOM 0 H VAL A 71 0.772 -5.246 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.130 -3.015 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.415 -3.157 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.822 -2.311 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.870 -3.911 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.335 -2.461 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.177 -0.691 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.498 -0.733 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.148 -1.026 -1.825 1.00 0.00 H new ATOM 1054 N ASN A 72 0.342 -2.362 -5.009 1.00 0.00 N ATOM 1055 CA ASN A 72 1.062 -2.144 -6.260 1.00 0.00 C ATOM 1056 C ASN A 72 1.620 -3.490 -6.757 1.00 0.00 C ATOM 1057 O ASN A 72 2.805 -3.628 -7.061 1.00 0.00 O ATOM 1058 CB ASN A 72 2.132 -1.052 -6.069 1.00 0.00 C ATOM 1059 CG ASN A 72 1.585 0.233 -5.453 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.610 0.819 -5.912 1.00 0.00 O ATOM 1061 ND2 ASN A 72 2.181 0.700 -4.365 1.00 0.00 N ATOM 0 H ASN A 72 -0.568 -1.902 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 72 0.396 -1.772 -7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.927 -1.441 -5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.581 -0.821 -7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.829 1.544 -3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.992 0.216 -3.980 1.00 0.00 H new ATOM 1068 N GLY A 73 0.773 -4.526 -6.719 1.00 0.00 N ATOM 1069 CA GLY A 73 1.100 -5.908 -7.050 1.00 0.00 C ATOM 1070 C GLY A 73 2.052 -6.643 -6.092 1.00 0.00 C ATOM 1071 O GLY A 73 2.281 -7.833 -6.314 1.00 0.00 O ATOM 0 H GLY A 73 -0.202 -4.413 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.170 -6.474 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.542 -5.923 -8.046 1.00 0.00 H new ATOM 1075 N GLN A 74 2.594 -6.025 -5.034 1.00 0.00 N ATOM 1076 CA GLN A 74 3.588 -6.626 -4.148 1.00 0.00 C ATOM 1077 C GLN A 74 2.899 -7.330 -2.973 1.00 0.00 C ATOM 1078 O GLN A 74 1.967 -6.778 -2.390 1.00 0.00 O ATOM 1079 CB GLN A 74 4.542 -5.516 -3.688 1.00 0.00 C ATOM 1080 CG GLN A 74 5.595 -5.960 -2.676 1.00 0.00 C ATOM 1081 CD GLN A 74 6.540 -7.084 -3.107 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.120 -8.186 -3.444 1.00 0.00 O ATOM 1083 NE2 GLN A 74 7.844 -6.870 -3.067 1.00 0.00 N ATOM 0 H GLN A 74 2.345 -5.072 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 74 4.163 -7.391 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.048 -5.105 -4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.955 -4.709 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.199 -5.092 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.081 -6.278 -1.769 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.203 -5.957 -2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.491 -7.618 -3.315 1.00 0.00 H new ATOM 1092 N SER A 75 3.335 -8.541 -2.633 1.00 0.00 N ATOM 1093 CA SER A 75 2.710 -9.440 -1.672 1.00 0.00 C ATOM 1094 C SER A 75 2.893 -8.964 -0.224 1.00 0.00 C ATOM 1095 O SER A 75 3.970 -9.048 0.364 1.00 0.00 O ATOM 1096 CB SER A 75 3.272 -10.854 -1.881 1.00 0.00 C ATOM 1097 OG SER A 75 4.647 -10.834 -2.208 1.00 0.00 O ATOM 0 H SER A 75 4.179 -8.940 -3.044 1.00 0.00 H new ATOM 0 HA SER A 75 1.634 -9.448 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.123 -11.441 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.717 -11.351 -2.677 1.00 0.00 H new ATOM 0 HG SER A 75 5.127 -10.265 -1.570 1.00 0.00 H new ATOM 1103 N ILE A 76 1.804 -8.505 0.388 1.00 0.00 N ATOM 1104 CA ILE A 76 1.824 -7.867 1.707 1.00 0.00 C ATOM 1105 C ILE A 76 1.700 -8.881 2.852 1.00 0.00 C ATOM 1106 O ILE A 76 1.789 -8.516 4.018 1.00 0.00 O ATOM 1107 CB ILE A 76 0.736 -6.776 1.770 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.669 -7.401 1.578 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.020 -5.695 0.715 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.809 -6.414 1.341 1.00 0.00 C ATOM 0 H ILE A 76 0.871 -8.565 -0.020 1.00 0.00 H new ATOM 0 HA ILE A 76 2.797 -7.394 1.844 1.00 0.00 H new ATOM 0 HB ILE A 76 0.755 -6.305 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.628 -8.089 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.905 -7.995 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.248 -4.927 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.993 -5.244 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.020 -6.146 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.744 -6.961 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.890 -5.740 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.608 -5.836 0.439 1.00 0.00 H new ATOM 1122 N ILE A 77 1.490 -10.159 2.547 1.00 0.00 N ATOM 1123 CA ILE A 77 1.494 -11.245 3.505 1.00 0.00 C ATOM 1124 C ILE A 77 2.890 -11.420 4.098 1.00 0.00 C ATOM 1125 O ILE A 77 3.025 -11.582 5.309 1.00 0.00 O ATOM 1126 CB ILE A 77 1.020 -12.510 2.763 1.00 0.00 C ATOM 1127 CG1 ILE A 77 -0.351 -12.240 2.099 1.00 0.00 C ATOM 1128 CG2 ILE A 77 0.973 -13.733 3.690 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -0.259 -11.989 0.593 1.00 0.00 C ATOM 0 H ILE A 77 1.307 -10.470 1.593 1.00 0.00 H new ATOM 0 HA ILE A 77 0.825 -11.040 4.341 1.00 0.00 H new ATOM 0 HB ILE A 77 1.744 -12.746 1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.007 -13.092 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.813 -11.376 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.634 -14.603 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.969 -13.925 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.283 -13.541 4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.256 -11.807 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.371 -11.119 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.174 -12.862 0.104 1.00 0.00 H new ATOM 1141 N ASN A 78 3.910 -11.460 3.235 1.00 0.00 N ATOM 1142 CA ASN A 78 5.210 -11.987 3.623 1.00 0.00 C ATOM 1143 C ASN A 78 6.153 -10.895 4.110 1.00 0.00 C ATOM 1144 O ASN A 78 7.052 -11.201 4.896 1.00 0.00 O ATOM 1145 CB ASN A 78 5.830 -12.792 2.471 1.00 0.00 C ATOM 1146 CG ASN A 78 5.144 -14.145 2.316 1.00 0.00 C ATOM 1147 OD1 ASN A 78 5.151 -14.961 3.232 1.00 0.00 O ATOM 1148 ND2 ASN A 78 4.508 -14.429 1.194 1.00 0.00 N ATOM 0 H ASN A 78 3.856 -11.134 2.270 1.00 0.00 H new ATOM 0 HA ASN A 78 5.053 -12.659 4.467 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.744 -12.229 1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.894 -12.939 2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.026 -15.322 1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.498 -13.755 0.429 1.00 0.00 H new ATOM 1155 N MET A 79 5.969 -9.655 3.654 1.00 0.00 N ATOM 1156 CA MET A 79 6.774 -8.504 4.036 1.00 0.00 C ATOM 1157 C MET A 79 6.526 -8.073 5.487 1.00 0.00 C ATOM 1158 O MET A 79 5.462 -8.348 6.051 1.00 0.00 O ATOM 1159 CB MET A 79 6.423 -7.342 3.095 1.00 0.00 C ATOM 1160 CG MET A 79 7.392 -7.281 1.922 1.00 0.00 C ATOM 1161 SD MET A 79 6.652 -6.751 0.366 1.00 0.00 S ATOM 1162 CE MET A 79 6.296 -5.004 0.687 1.00 0.00 C ATOM 0 H MET A 79 5.232 -9.422 2.989 1.00 0.00 H new ATOM 0 HA MET A 79 7.826 -8.779 3.957 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.405 -7.463 2.725 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.452 -6.402 3.645 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.205 -6.599 2.174 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.835 -8.267 1.782 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.274 -4.779 0.382 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.411 -4.799 1.751 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.989 -4.381 0.121 1.00 0.00 H new ATOM 1172 N PRO A 80 7.460 -7.310 6.082 1.00 0.00 N ATOM 1173 CA PRO A 80 7.202 -6.621 7.330 1.00 0.00 C ATOM 1174 C PRO A 80 6.234 -5.457 7.089 1.00 0.00 C ATOM 1175 O PRO A 80 6.319 -4.769 6.065 1.00 0.00 O ATOM 1176 CB PRO A 80 8.574 -6.151 7.819 1.00 0.00 C ATOM 1177 CG PRO A 80 9.343 -5.916 6.522 1.00 0.00 C ATOM 1178 CD PRO A 80 8.786 -6.976 5.575 1.00 0.00 C ATOM 0 HA PRO A 80 6.727 -7.254 8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.500 -5.241 8.414 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.058 -6.902 8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.180 -4.909 6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.417 -6.032 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.730 -6.597 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.429 -7.856 5.553 1.00 0.00 H new ATOM 1186 N HIS A 81 5.377 -5.173 8.074 1.00 0.00 N ATOM 1187 CA HIS A 81 4.404 -4.078 8.045 1.00 0.00 C ATOM 1188 C HIS A 81 5.057 -2.750 7.639 1.00 0.00 C ATOM 1189 O HIS A 81 4.461 -1.972 6.898 1.00 0.00 O ATOM 1190 CB HIS A 81 3.713 -3.945 9.417 1.00 0.00 C ATOM 1191 CG HIS A 81 2.238 -4.270 9.417 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.252 -3.575 8.750 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.624 -5.237 10.169 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.071 -4.095 9.124 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.242 -5.112 9.985 1.00 0.00 N ATOM 0 H HIS A 81 5.340 -5.714 8.938 1.00 0.00 H new ATOM 0 HA HIS A 81 3.654 -4.317 7.291 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.216 -4.602 10.127 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.846 -2.925 9.778 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.119 -5.966 10.793 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.889 -3.742 8.778 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.488 -5.679 10.417 1.00 0.00 H new ATOM 1203 N ALA A 82 6.280 -2.497 8.108 1.00 0.00 N ATOM 1204 CA ALA A 82 7.024 -1.276 7.834 1.00 0.00 C ATOM 1205 C ALA A 82 7.407 -1.116 6.360 1.00 0.00 C ATOM 1206 O ALA A 82 7.526 0.018 5.895 1.00 0.00 O ATOM 1207 CB ALA A 82 8.272 -1.271 8.722 1.00 0.00 C ATOM 0 H ALA A 82 6.788 -3.153 8.702 1.00 0.00 H new ATOM 0 HA ALA A 82 6.380 -0.426 8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.848 -0.365 8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.973 -1.302 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.884 -2.143 8.494 1.00 0.00 H new ATOM 1213 N ASP A 83 7.621 -2.203 5.615 1.00 0.00 N ATOM 1214 CA ASP A 83 7.948 -2.097 4.190 1.00 0.00 C ATOM 1215 C ASP A 83 6.672 -1.913 3.377 1.00 0.00 C ATOM 1216 O ASP A 83 6.629 -1.082 2.481 1.00 0.00 O ATOM 1217 CB ASP A 83 8.757 -3.302 3.703 1.00 0.00 C ATOM 1218 CG ASP A 83 9.444 -3.005 2.363 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.063 -1.920 2.229 1.00 0.00 O ATOM 1220 OD2 ASP A 83 9.429 -3.894 1.491 1.00 0.00 O ATOM 0 H ASP A 83 7.575 -3.158 5.970 1.00 0.00 H new ATOM 0 HA ASP A 83 8.579 -1.220 4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.507 -3.565 4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.100 -4.165 3.594 1.00 0.00 H new ATOM 1225 N ILE A 84 5.583 -2.587 3.757 1.00 0.00 N ATOM 1226 CA ILE A 84 4.253 -2.397 3.169 1.00 0.00 C ATOM 1227 C ILE A 84 3.795 -0.938 3.381 1.00 0.00 C ATOM 1228 O ILE A 84 3.159 -0.345 2.511 1.00 0.00 O ATOM 1229 CB ILE A 84 3.282 -3.418 3.814 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.707 -4.877 3.528 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.829 -3.217 3.349 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.293 -5.857 4.623 1.00 0.00 C ATOM 0 H ILE A 84 5.601 -3.292 4.494 1.00 0.00 H new ATOM 0 HA ILE A 84 4.271 -2.573 2.094 1.00 0.00 H new ATOM 0 HB ILE A 84 3.333 -3.235 4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.270 -5.196 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.790 -4.915 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.188 -3.956 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.495 -2.216 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.773 -3.336 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.623 -6.861 4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.752 -5.563 5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.208 -5.848 4.728 1.00 0.00 H new ATOM 1244 N VAL A 85 4.122 -0.323 4.521 1.00 0.00 N ATOM 1245 CA VAL A 85 3.934 1.104 4.758 1.00 0.00 C ATOM 1246 C VAL A 85 4.803 1.919 3.798 1.00 0.00 C ATOM 1247 O VAL A 85 4.280 2.815 3.126 1.00 0.00 O ATOM 1248 CB VAL A 85 4.184 1.394 6.245 1.00 0.00 C ATOM 1249 CG1 VAL A 85 4.499 2.857 6.565 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.978 0.948 7.091 1.00 0.00 C ATOM 0 H VAL A 85 4.531 -0.814 5.316 1.00 0.00 H new ATOM 0 HA VAL A 85 2.910 1.410 4.545 1.00 0.00 H new ATOM 0 HB VAL A 85 5.075 0.819 6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.661 2.968 7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.398 3.161 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.663 3.485 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.172 1.161 8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.088 1.489 6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.818 -0.122 6.961 1.00 0.00 H new ATOM 1260 N LYS A 86 6.106 1.620 3.717 1.00 0.00 N ATOM 1261 CA LYS A 86 7.012 2.323 2.804 1.00 0.00 C ATOM 1262 C LYS A 86 6.466 2.335 1.375 1.00 0.00 C ATOM 1263 O LYS A 86 6.382 3.392 0.761 1.00 0.00 O ATOM 1264 CB LYS A 86 8.419 1.706 2.867 1.00 0.00 C ATOM 1265 CG LYS A 86 9.478 2.739 2.452 1.00 0.00 C ATOM 1266 CD LYS A 86 10.916 2.208 2.438 1.00 0.00 C ATOM 1267 CE LYS A 86 11.533 2.114 3.838 1.00 0.00 C ATOM 1268 NZ LYS A 86 12.861 1.465 3.803 1.00 0.00 N ATOM 0 H LYS A 86 6.556 0.894 4.275 1.00 0.00 H new ATOM 0 HA LYS A 86 7.083 3.362 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.623 1.353 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.472 0.838 2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.233 3.112 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.425 3.588 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.929 1.222 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.532 2.860 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.626 3.113 4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.868 1.550 4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.250 1.418 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.767 0.503 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.502 2.017 3.198 1.00 0.00 H new ATOM 1282 N LEU A 87 6.012 1.187 0.887 1.00 0.00 N ATOM 1283 CA LEU A 87 5.462 0.941 -0.428 1.00 0.00 C ATOM 1284 C LEU A 87 4.283 1.851 -0.779 1.00 0.00 C ATOM 1285 O LEU A 87 4.113 2.210 -1.948 1.00 0.00 O ATOM 1286 CB LEU A 87 4.993 -0.518 -0.361 1.00 0.00 C ATOM 1287 CG LEU A 87 5.972 -1.628 -0.770 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.568 -2.174 -2.135 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.455 -1.269 -0.748 1.00 0.00 C ATOM 0 H LEU A 87 6.023 0.338 1.453 1.00 0.00 H new ATOM 0 HA LEU A 87 6.205 1.140 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.678 -0.717 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.108 -0.610 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 87 5.884 -2.387 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.260 -2.963 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.558 -2.579 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.597 -1.371 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.043 -2.133 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.639 -0.442 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.743 -0.975 0.261 1.00 0.00 H new ATOM 1301 N ILE A 88 3.435 2.184 0.194 1.00 0.00 N ATOM 1302 CA ILE A 88 2.288 3.064 0.002 1.00 0.00 C ATOM 1303 C ILE A 88 2.800 4.496 -0.064 1.00 0.00 C ATOM 1304 O ILE A 88 2.422 5.239 -0.963 1.00 0.00 O ATOM 1305 CB ILE A 88 1.298 2.865 1.164 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.667 1.464 1.034 1.00 0.00 C ATOM 1307 CG2 ILE A 88 0.202 3.947 1.218 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.093 0.990 2.271 1.00 0.00 C ATOM 0 H ILE A 88 3.529 1.844 1.151 1.00 0.00 H new ATOM 0 HA ILE A 88 1.761 2.835 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 88 1.853 2.955 2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.015 1.465 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.455 0.745 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.463 3.750 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.664 4.927 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.371 3.931 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.502 -0.004 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.586 0.952 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.906 1.683 2.486 1.00 0.00 H new ATOM 1320 N LYS A 89 3.652 4.892 0.884 1.00 0.00 N ATOM 1321 CA LYS A 89 4.240 6.216 0.910 1.00 0.00 C ATOM 1322 C LYS A 89 4.967 6.517 -0.406 1.00 0.00 C ATOM 1323 O LYS A 89 4.763 7.583 -0.983 1.00 0.00 O ATOM 1324 CB LYS A 89 5.151 6.273 2.139 1.00 0.00 C ATOM 1325 CG LYS A 89 5.655 7.691 2.348 1.00 0.00 C ATOM 1326 CD LYS A 89 6.410 7.806 3.673 1.00 0.00 C ATOM 1327 CE LYS A 89 7.402 8.956 3.549 1.00 0.00 C ATOM 1328 NZ LYS A 89 8.054 9.350 4.815 1.00 0.00 N ATOM 0 H LYS A 89 3.949 4.294 1.655 1.00 0.00 H new ATOM 0 HA LYS A 89 3.481 6.994 0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.606 5.938 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.994 5.594 2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.310 7.975 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.815 8.386 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.716 7.988 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.931 6.875 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.173 8.677 2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.883 9.822 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.710 10.137 4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.331 9.651 5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.580 8.540 5.201 1.00 0.00 H new ATOM 1342 N ASP A 90 5.748 5.560 -0.905 1.00 0.00 N ATOM 1343 CA ASP A 90 6.471 5.637 -2.172 1.00 0.00 C ATOM 1344 C ASP A 90 5.529 5.741 -3.371 1.00 0.00 C ATOM 1345 O ASP A 90 5.899 6.330 -4.390 1.00 0.00 O ATOM 1346 CB ASP A 90 7.403 4.417 -2.329 1.00 0.00 C ATOM 1347 CG ASP A 90 8.800 4.723 -1.797 1.00 0.00 C ATOM 1348 OD1 ASP A 90 9.396 5.727 -2.253 1.00 0.00 O ATOM 1349 OD2 ASP A 90 9.267 4.020 -0.874 1.00 0.00 O ATOM 0 H ASP A 90 5.900 4.676 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 90 7.068 6.549 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.985 3.564 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.464 4.135 -3.380 1.00 0.00 H new ATOM 1354 N ALA A 91 4.298 5.220 -3.257 1.00 0.00 N ATOM 1355 CA ALA A 91 3.315 5.355 -4.328 1.00 0.00 C ATOM 1356 C ALA A 91 2.926 6.831 -4.520 1.00 0.00 C ATOM 1357 O ALA A 91 2.625 7.264 -5.635 1.00 0.00 O ATOM 1358 CB ALA A 91 2.094 4.480 -4.023 1.00 0.00 C ATOM 0 H ALA A 91 3.967 4.707 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 91 3.752 5.011 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.363 4.584 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.403 3.438 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.646 4.796 -3.081 1.00 0.00 H new ATOM 1364 N GLY A 92 3.006 7.628 -3.451 1.00 0.00 N ATOM 1365 CA GLY A 92 2.798 9.060 -3.456 1.00 0.00 C ATOM 1366 C GLY A 92 1.315 9.362 -3.348 1.00 0.00 C ATOM 1367 O GLY A 92 0.728 9.233 -2.275 1.00 0.00 O ATOM 0 H GLY A 92 3.228 7.267 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.334 9.518 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.201 9.493 -4.372 1.00 0.00 H new ATOM 1371 N LEU A 93 0.710 9.803 -4.448 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.655 10.327 -4.454 1.00 0.00 C ATOM 1373 C LEU A 93 -1.623 9.287 -4.947 1.00 0.00 C ATOM 1374 O LEU A 93 -2.735 9.210 -4.444 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.780 11.557 -5.354 1.00 0.00 C ATOM 1376 CG LEU A 93 0.156 12.673 -4.916 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.124 13.849 -5.893 1.00 0.00 C ATOM 1378 CD2 LEU A 93 -0.132 13.167 -3.495 1.00 0.00 C ATOM 0 H LEU A 93 1.155 9.807 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.890 10.604 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.557 11.278 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.809 11.917 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 93 1.156 12.239 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.805 14.627 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.433 13.509 -6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.888 14.250 -5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.567 13.963 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.152 13.549 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.017 12.342 -2.792 1.00 0.00 H new ATOM 1390 N SER A 94 -1.192 8.494 -5.908 1.00 0.00 N ATOM 1391 CA SER A 94 -1.909 7.318 -6.358 1.00 0.00 C ATOM 1392 C SER A 94 -1.340 6.147 -5.566 1.00 0.00 C ATOM 1393 O SER A 94 -0.135 6.121 -5.317 1.00 0.00 O ATOM 1394 CB SER A 94 -1.694 7.098 -7.863 1.00 0.00 C ATOM 1395 OG SER A 94 -1.181 8.248 -8.530 1.00 0.00 O ATOM 0 H SER A 94 -0.317 8.652 -6.407 1.00 0.00 H new ATOM 0 HA SER A 94 -2.982 7.424 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.006 6.265 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.641 6.812 -8.321 1.00 0.00 H new ATOM 0 HG SER A 94 -1.063 8.049 -9.482 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.154 5.172 -5.185 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.680 3.889 -4.701 1.00 0.00 C ATOM 1403 C VAL A 95 -2.662 2.850 -5.203 1.00 0.00 C ATOM 1404 O VAL A 95 -3.871 3.092 -5.146 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.550 3.907 -3.166 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -2.857 4.168 -2.400 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -0.974 2.579 -2.678 1.00 0.00 C ATOM 0 H VAL A 95 -3.171 5.253 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.683 3.653 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.890 4.749 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.658 4.161 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.260 5.139 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.581 3.389 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.885 2.598 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.636 1.765 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.010 2.425 -3.120 1.00 0.00 H new ATOM 1417 N THR A 96 -2.168 1.708 -5.663 1.00 0.00 N ATOM 1418 CA THR A 96 -2.987 0.621 -6.156 1.00 0.00 C ATOM 1419 C THR A 96 -2.999 -0.473 -5.088 1.00 0.00 C ATOM 1420 O THR A 96 -1.960 -0.867 -4.563 1.00 0.00 O ATOM 1421 CB THR A 96 -2.444 0.143 -7.514 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.015 1.236 -8.303 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.557 -0.551 -8.293 1.00 0.00 C ATOM 0 H THR A 96 -1.168 1.513 -5.702 1.00 0.00 H new ATOM 0 HA THR A 96 -4.017 0.932 -6.333 1.00 0.00 H new ATOM 0 HB THR A 96 -1.610 -0.530 -7.315 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.673 0.906 -9.160 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.172 -0.889 -9.255 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.919 -1.408 -7.725 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.377 0.148 -8.456 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.183 -0.957 -4.724 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.378 -2.031 -3.755 1.00 0.00 C ATOM 1433 C LEU A 97 -4.966 -3.220 -4.490 1.00 0.00 C ATOM 1434 O LEU A 97 -6.050 -3.098 -5.055 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.322 -1.552 -2.646 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.609 -0.650 -1.621 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.629 0.157 -0.818 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.744 -1.458 -0.642 1.00 0.00 C ATOM 0 H LEU A 97 -5.059 -0.602 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.433 -2.318 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.154 -1.006 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.745 -2.416 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.961 0.017 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.108 0.789 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.212 0.782 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.295 -0.524 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.261 -0.780 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.373 -2.161 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.983 -2.007 -1.197 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.260 -4.354 -4.524 1.00 0.00 N ATOM 1451 CA ARG A 98 -4.799 -5.580 -5.098 1.00 0.00 C ATOM 1452 C ARG A 98 -5.610 -6.267 -4.003 1.00 0.00 C ATOM 1453 O ARG A 98 -5.050 -6.652 -2.975 1.00 0.00 O ATOM 1454 CB ARG A 98 -3.693 -6.482 -5.679 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.135 -7.124 -7.004 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.004 -7.901 -7.696 1.00 0.00 C ATOM 1457 NE ARG A 98 -2.132 -7.038 -8.517 1.00 0.00 N ATOM 1458 CZ ARG A 98 -1.163 -7.493 -9.330 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -0.744 -8.751 -9.259 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -0.588 -6.672 -10.195 1.00 0.00 N ATOM 0 H ARG A 98 -3.312 -4.443 -4.159 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.443 -5.355 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.789 -5.895 -5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.442 -7.262 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.970 -7.799 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.499 -6.346 -7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.401 -8.404 -6.940 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.437 -8.677 -8.327 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.274 -6.029 -8.464 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.159 -9.389 -8.580 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.008 -9.079 -9.884 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.880 -5.696 -10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.147 -7.015 -10.813 1.00 0.00 H new ATOM 1474 N ILE A 99 -6.916 -6.403 -4.197 1.00 0.00 N ATOM 1475 CA ILE A 99 -7.856 -7.033 -3.276 1.00 0.00 C ATOM 1476 C ILE A 99 -8.439 -8.295 -3.909 1.00 0.00 C ATOM 1477 O ILE A 99 -8.218 -8.557 -5.095 1.00 0.00 O ATOM 1478 CB ILE A 99 -8.948 -6.029 -2.844 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -9.821 -5.528 -4.020 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.339 -4.850 -2.076 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.225 -6.120 -3.938 1.00 0.00 C ATOM 0 H ILE A 99 -7.372 -6.060 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.331 -7.335 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.616 -6.576 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.878 -4.440 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.358 -5.805 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.130 -4.159 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.832 -5.219 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.622 -4.333 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -11.823 -5.756 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.165 -7.207 -3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.692 -5.820 -3.000 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.201 -9.058 -3.124 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.009 -10.169 -3.609 1.00 0.00 C ATOM 1495 C ILE A 100 -11.478 -9.771 -3.410 1.00 0.00 C ATOM 1496 O ILE A 100 -11.850 -9.384 -2.295 1.00 0.00 O ATOM 1497 CB ILE A 100 -9.603 -11.481 -2.914 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.256 -11.961 -3.503 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -10.654 -12.579 -3.118 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -7.357 -12.565 -2.424 1.00 0.00 C ATOM 0 H ILE A 100 -9.273 -8.916 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.848 -10.366 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.516 -11.288 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.441 -12.702 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.745 -11.123 -3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.332 -13.490 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.607 -12.252 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.771 -12.777 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.419 -12.892 -2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.152 -11.815 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.858 -13.419 -1.969 1.00 0.00 H new ATOM 1512 N PRO A 101 -12.285 -9.767 -4.483 1.00 0.00 N ATOM 1513 CA PRO A 101 -13.699 -9.441 -4.429 1.00 0.00 C ATOM 1514 C PRO A 101 -14.518 -10.674 -4.030 1.00 0.00 C ATOM 1515 O PRO A 101 -13.968 -11.730 -3.694 1.00 0.00 O ATOM 1516 CB PRO A 101 -14.007 -8.940 -5.841 1.00 0.00 C ATOM 1517 CG PRO A 101 -13.110 -9.799 -6.733 1.00 0.00 C ATOM 1518 CD PRO A 101 -11.915 -10.141 -5.843 1.00 0.00 C ATOM 0 HA PRO A 101 -13.954 -8.691 -3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.060 -9.068 -6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.780 -7.879 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.626 -10.698 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.799 -9.257 -7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.680 -11.204 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.025 -9.600 -6.165 1.00 0.00 H new ATOM 1526 N GLN A 102 -15.843 -10.536 -4.033 1.00 0.00 N ATOM 1527 CA GLN A 102 -16.747 -11.630 -3.729 1.00 0.00 C ATOM 1528 C GLN A 102 -17.942 -11.602 -4.685 1.00 0.00 C ATOM 1529 O GLN A 102 -18.338 -10.528 -5.142 1.00 0.00 O ATOM 1530 CB GLN A 102 -17.106 -11.552 -2.235 1.00 0.00 C ATOM 1531 CG GLN A 102 -18.194 -10.513 -1.883 1.00 0.00 C ATOM 1532 CD GLN A 102 -18.025 -9.773 -0.552 1.00 0.00 C ATOM 1533 OE1 GLN A 102 -18.995 -9.536 0.165 1.00 0.00 O ATOM 1534 NE2 GLN A 102 -16.856 -9.249 -0.227 1.00 0.00 N ATOM 0 H GLN A 102 -16.315 -9.658 -4.248 1.00 0.00 H new ATOM 0 HA GLN A 102 -16.284 -12.603 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -17.442 -12.535 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -16.203 -11.317 -1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -18.231 -9.773 -2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -19.159 -11.019 -1.872 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.037 -9.431 -0.806 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -16.773 -8.662 0.603 1.00 0.00 H new ATOM 1543 N GLU A 103 -18.532 -12.766 -4.958 1.00 0.00 N ATOM 1544 CA GLU A 103 -19.663 -12.901 -5.876 1.00 0.00 C ATOM 1545 C GLU A 103 -20.734 -13.852 -5.335 1.00 0.00 C ATOM 1546 O GLU A 103 -21.771 -14.049 -5.962 1.00 0.00 O ATOM 1547 CB GLU A 103 -19.150 -13.361 -7.254 1.00 0.00 C ATOM 1548 CG GLU A 103 -18.415 -14.714 -7.196 1.00 0.00 C ATOM 1549 CD GLU A 103 -18.914 -15.716 -8.232 1.00 0.00 C ATOM 1550 OE1 GLU A 103 -20.086 -16.138 -8.148 1.00 0.00 O ATOM 1551 OE2 GLU A 103 -18.087 -16.138 -9.075 1.00 0.00 O ATOM 0 H GLU A 103 -18.235 -13.650 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.142 -11.927 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.991 -13.439 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.477 -12.604 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -17.348 -14.547 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -18.533 -15.142 -6.200 1.00 0.00 H new ATOM 1558 N GLU A 104 -20.477 -14.466 -4.184 1.00 0.00 N ATOM 1559 CA GLU A 104 -21.233 -15.613 -3.680 1.00 0.00 C ATOM 1560 C GLU A 104 -21.061 -15.723 -2.155 1.00 0.00 C ATOM 1561 O GLU A 104 -21.409 -16.728 -1.540 1.00 0.00 O ATOM 1562 CB GLU A 104 -20.751 -16.864 -4.441 1.00 0.00 C ATOM 1563 CG GLU A 104 -21.887 -17.747 -4.983 1.00 0.00 C ATOM 1564 CD GLU A 104 -22.435 -18.708 -3.932 1.00 0.00 C ATOM 1565 OE1 GLU A 104 -21.754 -19.718 -3.646 1.00 0.00 O ATOM 1566 OE2 GLU A 104 -23.546 -18.480 -3.397 1.00 0.00 O ATOM 0 H GLU A 104 -19.723 -14.176 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 104 -22.303 -15.500 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -20.121 -16.549 -5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -20.126 -17.462 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -22.695 -17.111 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -21.523 -18.318 -5.837 1.00 0.00 H new ATOM 1573 N LEU A 105 -20.516 -14.676 -1.536 1.00 0.00 N ATOM 1574 CA LEU A 105 -20.455 -14.457 -0.106 1.00 0.00 C ATOM 1575 C LEU A 105 -21.529 -13.418 0.152 1.00 0.00 C ATOM 1576 O LEU A 105 -21.387 -12.261 -0.248 1.00 0.00 O ATOM 1577 CB LEU A 105 -19.042 -13.989 0.291 1.00 0.00 C ATOM 1578 CG LEU A 105 -18.926 -13.024 1.486 1.00 0.00 C ATOM 1579 CD1 LEU A 105 -19.494 -13.604 2.784 1.00 0.00 C ATOM 1580 CD2 LEU A 105 -17.457 -12.666 1.712 1.00 0.00 C ATOM 0 H LEU A 105 -20.081 -13.916 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 105 -20.633 -15.351 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -18.444 -14.873 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -18.590 -13.507 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 105 -19.515 -12.142 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -19.382 -12.876 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -20.551 -13.835 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -18.954 -14.515 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.375 -11.983 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.890 -13.573 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -17.058 -12.186 0.818 1.00 0.00 H new ATOM 1592 N ASN A 106 -22.618 -13.824 0.794 1.00 0.00 N ATOM 1593 CA ASN A 106 -23.498 -12.901 1.492 1.00 0.00 C ATOM 1594 C ASN A 106 -24.205 -13.662 2.611 1.00 0.00 C ATOM 1595 O ASN A 106 -23.649 -14.634 3.124 1.00 0.00 O ATOM 1596 CB ASN A 106 -24.427 -12.174 0.500 1.00 0.00 C ATOM 1597 CG ASN A 106 -24.226 -10.684 0.705 1.00 0.00 C ATOM 1598 OD1 ASN A 106 -24.787 -10.085 1.618 1.00 0.00 O ATOM 1599 ND2 ASN A 106 -23.322 -10.084 -0.044 1.00 0.00 N ATOM 0 H ASN A 106 -22.913 -14.799 0.844 1.00 0.00 H new ATOM 0 HA ASN A 106 -22.938 -12.096 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -24.190 -12.456 -0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -25.467 -12.449 0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -23.080 -9.109 0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -22.865 -10.595 -0.799 1.00 0.00 H new ATOM 1606 N SER A 107 -25.391 -13.241 3.032 1.00 0.00 N ATOM 1607 CA SER A 107 -26.322 -14.145 3.695 1.00 0.00 C ATOM 1608 C SER A 107 -27.742 -13.732 3.308 1.00 0.00 C ATOM 1609 O SER A 107 -27.989 -12.526 3.215 1.00 0.00 O ATOM 1610 CB SER A 107 -26.105 -14.144 5.213 1.00 0.00 C ATOM 1611 OG SER A 107 -25.792 -12.851 5.713 1.00 0.00 O ATOM 0 H SER A 107 -25.730 -12.285 2.927 1.00 0.00 H new ATOM 0 HA SER A 107 -26.151 -15.171 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 107 -27.004 -14.514 5.706 1.00 0.00 H new ATOM 0 HB3 SER A 107 -25.298 -14.833 5.463 1.00 0.00 H new ATOM 0 HG SER A 107 -25.664 -12.898 6.683 1.00 0.00 H new ATOM 1617 N PRO A 108 -28.665 -14.683 3.097 1.00 0.00 N ATOM 1618 CA PRO A 108 -29.989 -14.397 2.570 1.00 0.00 C ATOM 1619 C PRO A 108 -30.814 -13.596 3.577 1.00 0.00 C ATOM 1620 O PRO A 108 -31.252 -12.491 3.267 1.00 0.00 O ATOM 1621 CB PRO A 108 -30.579 -15.761 2.217 1.00 0.00 C ATOM 1622 CG PRO A 108 -29.840 -16.745 3.119 1.00 0.00 C ATOM 1623 CD PRO A 108 -28.455 -16.119 3.189 1.00 0.00 C ATOM 0 HA PRO A 108 -29.972 -13.763 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -31.653 -15.787 2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -30.428 -15.998 1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -30.303 -16.826 4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -29.815 -17.749 2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -27.953 -16.382 4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -27.823 -16.475 2.375 1.00 0.00 H new ATOM 1631 N SER A 109 -30.983 -14.098 4.803 1.00 0.00 N ATOM 1632 CA SER A 109 -31.493 -13.313 5.925 1.00 0.00 C ATOM 1633 C SER A 109 -32.898 -12.727 5.692 1.00 0.00 C ATOM 1634 O SER A 109 -33.253 -11.697 6.278 1.00 0.00 O ATOM 1635 CB SER A 109 -30.433 -12.266 6.293 1.00 0.00 C ATOM 1636 OG SER A 109 -29.162 -12.875 6.497 1.00 0.00 O ATOM 0 H SER A 109 -30.768 -15.066 5.044 1.00 0.00 H new ATOM 0 HA SER A 109 -31.653 -13.973 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 109 -30.361 -11.522 5.499 1.00 0.00 H new ATOM 0 HB3 SER A 109 -30.737 -11.738 7.197 1.00 0.00 H new ATOM 0 HG SER A 109 -28.503 -12.187 6.729 1.00 0.00 H new ATOM 1642 N GLY A 110 -33.716 -13.375 4.861 1.00 0.00 N ATOM 1643 CA GLY A 110 -35.135 -13.078 4.750 1.00 0.00 C ATOM 1644 C GLY A 110 -35.886 -13.413 6.045 1.00 0.00 C ATOM 1645 O GLY A 110 -35.314 -14.020 6.960 1.00 0.00 O ATOM 0 H GLY A 110 -33.405 -14.125 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -35.269 -12.022 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -35.562 -13.646 3.924 1.00 0.00 H new ATOM 1649 N PRO A 111 -37.172 -13.033 6.120 1.00 0.00 N ATOM 1650 CA PRO A 111 -38.022 -13.319 7.266 1.00 0.00 C ATOM 1651 C PRO A 111 -38.261 -14.825 7.403 1.00 0.00 C ATOM 1652 O PRO A 111 -38.076 -15.597 6.456 1.00 0.00 O ATOM 1653 CB PRO A 111 -39.323 -12.552 7.007 1.00 0.00 C ATOM 1654 CG PRO A 111 -39.393 -12.505 5.481 1.00 0.00 C ATOM 1655 CD PRO A 111 -37.931 -12.368 5.073 1.00 0.00 C ATOM 0 HA PRO A 111 -37.566 -13.008 8.206 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -40.185 -13.063 7.436 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -39.296 -11.553 7.441 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -39.843 -13.408 5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -39.990 -11.663 5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -37.749 -12.830 4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -37.644 -11.320 4.986 1.00 0.00 H new ATOM 1663 N SER A 112 -38.705 -15.225 8.590 1.00 0.00 N ATOM 1664 CA SER A 112 -39.012 -16.592 8.972 1.00 0.00 C ATOM 1665 C SER A 112 -40.005 -16.522 10.143 1.00 0.00 C ATOM 1666 O SER A 112 -40.459 -15.431 10.504 1.00 0.00 O ATOM 1667 CB SER A 112 -37.697 -17.302 9.347 1.00 0.00 C ATOM 1668 OG SER A 112 -37.695 -18.649 8.918 1.00 0.00 O ATOM 0 H SER A 112 -38.868 -14.565 9.350 1.00 0.00 H new ATOM 0 HA SER A 112 -39.468 -17.165 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 112 -36.856 -16.774 8.897 1.00 0.00 H new ATOM 0 HB3 SER A 112 -37.556 -17.263 10.427 1.00 0.00 H new ATOM 0 HG SER A 112 -36.847 -19.071 9.169 1.00 0.00 H new ATOM 1674 N SER A 113 -40.354 -17.664 10.738 1.00 0.00 N ATOM 1675 CA SER A 113 -40.964 -17.692 12.063 1.00 0.00 C ATOM 1676 C SER A 113 -39.944 -17.197 13.095 1.00 0.00 C ATOM 1677 O SER A 113 -38.748 -17.452 12.929 1.00 0.00 O ATOM 1678 CB SER A 113 -41.399 -19.130 12.374 1.00 0.00 C ATOM 1679 OG SER A 113 -40.390 -20.058 12.004 1.00 0.00 O ATOM 0 H SER A 113 -40.223 -18.584 10.318 1.00 0.00 H new ATOM 0 HA SER A 113 -41.838 -17.042 12.098 1.00 0.00 H new ATOM 0 HB2 SER A 113 -41.614 -19.227 13.438 1.00 0.00 H new ATOM 0 HB3 SER A 113 -42.321 -19.358 11.840 1.00 0.00 H new ATOM 0 HG SER A 113 -40.689 -20.967 12.213 1.00 0.00 H new ATOM 1685 N GLY A 114 -40.405 -16.585 14.182 1.00 0.00 N ATOM 1686 CA GLY A 114 -39.609 -16.128 15.303 1.00 0.00 C ATOM 1687 C GLY A 114 -40.563 -15.552 16.333 1.00 0.00 C ATOM 1688 O GLY A 114 -40.054 -14.933 17.293 1.00 0.00 O ATOM 0 H GLY A 114 -41.398 -16.387 14.305 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -39.037 -16.952 15.729 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -38.891 -15.374 14.981 1.00 0.00 H new TER 1692 GLY A 114