USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 958 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 53 GLN : amide:sc= -3.91 K(o=-11,f=-12!) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -6.77! K(o=-11!,f=-7.3) USER MOD Set 2.1: A 58 TYR OH : rot 121:sc= 0.0445 USER MOD Set 2.2: A 69 HIS : no HD1:sc= 0.039 X(o=0.084,f=0) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.107 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 0.815 USER MOD Single : A 3 SER OG : rot 39:sc= 0.839 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0396 K(o=-0.04,f=-0.92) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 31:sc= -4! USER MOD Single : A 29 SER OG : rot 160:sc= 0 USER MOD Single : A 30 MET CE :methyl 138:sc= -1.87! (180deg=-4.84!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0252 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.223 K(o=-0.22,f=-7.9!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -0.354 X(o=-0.35,f=-0.32) USER MOD Single : A 79 SER OG : rot 123:sc= 0.0444 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= -0.181 (180deg=-0.995) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 100 THR OG1 : rot 172:sc= -2.2! USER MOD Single : A 108 SER OG : rot -114:sc= -1.11 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -139:sc= 0.717 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 162:sc= -0.0266 (180deg=-0.227) USER MOD Single : A 129 SER OG : rot 180:sc= -0.106 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.445 1.124 -38.924 1.00 0.00 N ATOM 2 CA GLY A 1 -11.687 0.388 -37.929 1.00 0.00 C ATOM 3 C GLY A 1 -10.286 0.052 -38.400 1.00 0.00 C ATOM 4 O GLY A 1 -9.862 0.488 -39.470 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.770 2.024 -38.517 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.841 1.315 -39.749 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.268 0.561 -39.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.628 0.976 -37.013 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.215 -0.533 -37.683 1.00 0.00 H new ATOM 8 N SER A 2 -9.565 -0.726 -37.598 1.00 0.00 N ATOM 9 CA SER A 2 -8.201 -1.116 -37.936 1.00 0.00 C ATOM 10 C SER A 2 -7.787 -2.366 -37.166 1.00 0.00 C ATOM 11 O SER A 2 -7.906 -2.423 -35.943 1.00 0.00 O ATOM 12 CB SER A 2 -7.231 0.028 -37.633 1.00 0.00 C ATOM 13 OG SER A 2 -7.368 1.077 -38.577 1.00 0.00 O ATOM 0 H SER A 2 -9.903 -1.098 -36.710 1.00 0.00 H new ATOM 0 HA SER A 2 -8.167 -1.339 -39.002 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.417 0.411 -36.630 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.207 -0.346 -37.646 1.00 0.00 H new ATOM 0 HG SER A 2 -8.209 0.968 -39.068 1.00 0.00 H new ATOM 19 N SER A 3 -7.300 -3.367 -37.893 1.00 0.00 N ATOM 20 CA SER A 3 -6.871 -4.619 -37.281 1.00 0.00 C ATOM 21 C SER A 3 -5.393 -4.562 -36.907 1.00 0.00 C ATOM 22 O SER A 3 -4.521 -4.576 -37.774 1.00 0.00 O ATOM 23 CB SER A 3 -7.124 -5.789 -38.233 1.00 0.00 C ATOM 24 OG SER A 3 -6.362 -5.655 -39.420 1.00 0.00 O ATOM 0 H SER A 3 -7.193 -3.335 -38.907 1.00 0.00 H new ATOM 0 HA SER A 3 -7.452 -4.769 -36.371 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.870 -6.726 -37.738 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.184 -5.837 -38.481 1.00 0.00 H new ATOM 0 HG SER A 3 -5.475 -5.300 -39.201 1.00 0.00 H new ATOM 30 N GLY A 4 -5.120 -4.499 -35.607 1.00 0.00 N ATOM 31 CA GLY A 4 -3.747 -4.442 -35.140 1.00 0.00 C ATOM 32 C GLY A 4 -3.651 -4.391 -33.628 1.00 0.00 C ATOM 33 O GLY A 4 -4.597 -3.986 -32.952 1.00 0.00 O ATOM 0 H GLY A 4 -5.825 -4.486 -34.870 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.205 -5.314 -35.506 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.259 -3.563 -35.562 1.00 0.00 H new ATOM 37 N SER A 5 -2.506 -4.804 -33.095 1.00 0.00 N ATOM 38 CA SER A 5 -2.292 -4.809 -31.652 1.00 0.00 C ATOM 39 C SER A 5 -2.846 -3.538 -31.016 1.00 0.00 C ATOM 40 O SER A 5 -2.638 -2.435 -31.523 1.00 0.00 O ATOM 41 CB SER A 5 -0.801 -4.942 -31.337 1.00 0.00 C ATOM 42 OG SER A 5 -0.092 -3.778 -31.725 1.00 0.00 O ATOM 0 H SER A 5 -1.712 -5.140 -33.640 1.00 0.00 H new ATOM 0 HA SER A 5 -2.822 -5.665 -31.234 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.666 -5.115 -30.269 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.393 -5.810 -31.855 1.00 0.00 H new ATOM 0 HG SER A 5 0.858 -3.887 -31.512 1.00 0.00 H new ATOM 48 N SER A 6 -3.554 -3.701 -29.903 1.00 0.00 N ATOM 49 CA SER A 6 -4.142 -2.568 -29.199 1.00 0.00 C ATOM 50 C SER A 6 -3.059 -1.619 -28.694 1.00 0.00 C ATOM 51 O SER A 6 -3.171 -0.402 -28.830 1.00 0.00 O ATOM 52 CB SER A 6 -4.995 -3.056 -28.026 1.00 0.00 C ATOM 53 OG SER A 6 -6.276 -3.472 -28.466 1.00 0.00 O ATOM 0 H SER A 6 -3.734 -4.607 -29.470 1.00 0.00 H new ATOM 0 HA SER A 6 -4.776 -2.027 -29.901 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.492 -3.884 -27.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.101 -2.257 -27.292 1.00 0.00 H new ATOM 0 HG SER A 6 -6.801 -3.781 -27.698 1.00 0.00 H new ATOM 59 N GLY A 7 -2.008 -2.188 -28.110 1.00 0.00 N ATOM 60 CA GLY A 7 -0.919 -1.380 -27.593 1.00 0.00 C ATOM 61 C GLY A 7 -0.437 -1.856 -26.237 1.00 0.00 C ATOM 62 O GLY A 7 -0.603 -1.165 -25.232 1.00 0.00 O ATOM 0 H GLY A 7 -1.892 -3.194 -27.986 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.088 -1.401 -28.298 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.245 -0.343 -27.516 1.00 0.00 H new ATOM 66 N THR A 8 0.162 -3.043 -26.207 1.00 0.00 N ATOM 67 CA THR A 8 0.667 -3.613 -24.964 1.00 0.00 C ATOM 68 C THR A 8 1.997 -2.980 -24.570 1.00 0.00 C ATOM 69 O THR A 8 2.801 -2.618 -25.429 1.00 0.00 O ATOM 70 CB THR A 8 0.851 -5.138 -25.079 1.00 0.00 C ATOM 71 OG1 THR A 8 -0.331 -5.734 -25.623 1.00 0.00 O ATOM 72 CG2 THR A 8 1.155 -5.750 -23.720 1.00 0.00 C ATOM 0 H THR A 8 0.309 -3.628 -27.030 1.00 0.00 H new ATOM 0 HA THR A 8 -0.075 -3.401 -24.194 1.00 0.00 H new ATOM 0 HB THR A 8 1.693 -5.331 -25.743 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.205 -6.703 -25.695 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.281 -6.827 -23.826 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.072 -5.315 -23.322 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.330 -5.547 -23.037 1.00 0.00 H new ATOM 80 N ILE A 9 2.222 -2.850 -23.267 1.00 0.00 N ATOM 81 CA ILE A 9 3.456 -2.263 -22.760 1.00 0.00 C ATOM 82 C ILE A 9 4.490 -3.339 -22.449 1.00 0.00 C ATOM 83 O ILE A 9 4.141 -4.460 -22.079 1.00 0.00 O ATOM 84 CB ILE A 9 3.202 -1.428 -21.491 1.00 0.00 C ATOM 85 CG1 ILE A 9 2.598 -2.304 -20.391 1.00 0.00 C ATOM 86 CG2 ILE A 9 2.286 -0.254 -21.803 1.00 0.00 C ATOM 87 CD1 ILE A 9 2.816 -1.760 -18.997 1.00 0.00 C ATOM 0 H ILE A 9 1.566 -3.143 -22.543 1.00 0.00 H new ATOM 0 HA ILE A 9 3.840 -1.610 -23.544 1.00 0.00 H new ATOM 0 HB ILE A 9 4.155 -1.035 -21.136 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.528 -2.409 -20.568 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.031 -3.302 -20.454 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.116 0.326 -20.896 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.751 0.380 -22.558 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.333 -0.626 -22.179 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.361 -2.432 -18.269 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.885 -1.681 -18.800 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.359 -0.774 -18.916 1.00 0.00 H new ATOM 99 N GLU A 10 5.764 -2.990 -22.600 1.00 0.00 N ATOM 100 CA GLU A 10 6.849 -3.926 -22.334 1.00 0.00 C ATOM 101 C GLU A 10 7.674 -3.476 -21.132 1.00 0.00 C ATOM 102 O GLU A 10 7.835 -2.280 -20.890 1.00 0.00 O ATOM 103 CB GLU A 10 7.750 -4.060 -23.564 1.00 0.00 C ATOM 104 CG GLU A 10 8.714 -5.232 -23.488 1.00 0.00 C ATOM 105 CD GLU A 10 9.359 -5.545 -24.824 1.00 0.00 C ATOM 106 OE1 GLU A 10 10.071 -4.668 -25.357 1.00 0.00 O ATOM 107 OE2 GLU A 10 9.152 -6.665 -25.335 1.00 0.00 O ATOM 0 H GLU A 10 6.069 -2.066 -22.905 1.00 0.00 H new ATOM 0 HA GLU A 10 6.409 -4.897 -22.107 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.126 -4.171 -24.451 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.320 -3.139 -23.688 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.491 -5.011 -22.756 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.181 -6.113 -23.131 1.00 0.00 H new ATOM 114 N ALA A 11 8.194 -4.443 -20.383 1.00 0.00 N ATOM 115 CA ALA A 11 9.003 -4.147 -19.208 1.00 0.00 C ATOM 116 C ALA A 11 9.718 -5.397 -18.704 1.00 0.00 C ATOM 117 O ALA A 11 9.136 -6.481 -18.662 1.00 0.00 O ATOM 118 CB ALA A 11 8.137 -3.552 -18.107 1.00 0.00 C ATOM 0 H ALA A 11 8.069 -5.438 -20.569 1.00 0.00 H new ATOM 0 HA ALA A 11 9.761 -3.417 -19.494 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.755 -3.336 -17.235 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.677 -2.630 -18.464 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.358 -4.263 -17.832 1.00 0.00 H new ATOM 124 N ARG A 12 10.981 -5.238 -18.325 1.00 0.00 N ATOM 125 CA ARG A 12 11.775 -6.354 -17.826 1.00 0.00 C ATOM 126 C ARG A 12 10.935 -7.263 -16.933 1.00 0.00 C ATOM 127 O ARG A 12 10.235 -6.795 -16.035 1.00 0.00 O ATOM 128 CB ARG A 12 12.988 -5.838 -17.049 1.00 0.00 C ATOM 129 CG ARG A 12 14.143 -5.408 -17.939 1.00 0.00 C ATOM 130 CD ARG A 12 14.935 -6.605 -18.441 1.00 0.00 C ATOM 131 NE ARG A 12 14.332 -7.200 -19.630 1.00 0.00 N ATOM 132 CZ ARG A 12 14.827 -8.266 -20.250 1.00 0.00 C ATOM 133 NH1 ARG A 12 15.926 -8.851 -19.795 1.00 0.00 N ATOM 134 NH2 ARG A 12 14.221 -8.750 -21.327 1.00 0.00 N ATOM 0 H ARG A 12 11.477 -4.347 -18.354 1.00 0.00 H new ATOM 0 HA ARG A 12 12.120 -6.933 -18.683 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.681 -4.993 -16.432 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.334 -6.618 -16.371 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.759 -4.843 -18.788 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.803 -4.741 -17.384 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.955 -6.295 -18.668 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.998 -7.355 -17.652 1.00 0.00 H new ATOM 0 HE ARG A 12 13.484 -6.774 -20.005 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.394 -8.483 -18.967 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.304 -9.669 -20.273 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.374 -8.304 -21.680 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.602 -9.568 -21.802 1.00 0.00 H new ATOM 148 N THR A 13 11.010 -8.566 -17.187 1.00 0.00 N ATOM 149 CA THR A 13 10.256 -9.540 -16.408 1.00 0.00 C ATOM 150 C THR A 13 11.162 -10.288 -15.437 1.00 0.00 C ATOM 151 O THR A 13 12.163 -10.880 -15.838 1.00 0.00 O ATOM 152 CB THR A 13 9.547 -10.560 -17.320 1.00 0.00 C ATOM 153 OG1 THR A 13 8.862 -9.880 -18.377 1.00 0.00 O ATOM 154 CG2 THR A 13 8.558 -11.400 -16.525 1.00 0.00 C ATOM 0 H THR A 13 11.585 -8.971 -17.926 1.00 0.00 H new ATOM 0 HA THR A 13 9.507 -8.983 -15.845 1.00 0.00 H new ATOM 0 HB THR A 13 10.302 -11.221 -17.745 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.416 -10.536 -18.953 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.070 -12.113 -17.189 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.088 -11.940 -15.740 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.807 -10.750 -16.075 1.00 0.00 H new ATOM 162 N ALA A 14 10.804 -10.256 -14.157 1.00 0.00 N ATOM 163 CA ALA A 14 11.584 -10.933 -13.129 1.00 0.00 C ATOM 164 C ALA A 14 11.139 -12.383 -12.968 1.00 0.00 C ATOM 165 O ALA A 14 10.036 -12.750 -13.370 1.00 0.00 O ATOM 166 CB ALA A 14 11.466 -10.193 -11.805 1.00 0.00 C ATOM 0 H ALA A 14 9.979 -9.768 -13.808 1.00 0.00 H new ATOM 0 HA ALA A 14 12.628 -10.933 -13.441 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.053 -10.709 -11.046 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.839 -9.176 -11.922 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.421 -10.163 -11.497 1.00 0.00 H new ATOM 172 N GLN A 15 12.006 -13.201 -12.379 1.00 0.00 N ATOM 173 CA GLN A 15 11.701 -14.611 -12.167 1.00 0.00 C ATOM 174 C GLN A 15 11.158 -14.845 -10.761 1.00 0.00 C ATOM 175 O GLN A 15 10.027 -15.301 -10.590 1.00 0.00 O ATOM 176 CB GLN A 15 12.951 -15.463 -12.392 1.00 0.00 C ATOM 177 CG GLN A 15 13.374 -15.550 -13.849 1.00 0.00 C ATOM 178 CD GLN A 15 12.605 -16.606 -14.618 1.00 0.00 C ATOM 179 OE1 GLN A 15 12.315 -17.683 -14.096 1.00 0.00 O ATOM 180 NE2 GLN A 15 12.269 -16.302 -15.867 1.00 0.00 N ATOM 0 H GLN A 15 12.924 -12.912 -12.041 1.00 0.00 H new ATOM 0 HA GLN A 15 10.935 -14.904 -12.886 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.773 -15.049 -11.808 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.767 -16.469 -12.015 1.00 0.00 H new ATOM 0 HG2 GLN A 15 13.227 -14.580 -14.325 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.440 -15.772 -13.901 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.530 -15.397 -16.260 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.750 -16.973 -16.433 1.00 0.00 H new ATOM 189 N SER A 16 11.970 -14.531 -9.758 1.00 0.00 N ATOM 190 CA SER A 16 11.572 -14.711 -8.367 1.00 0.00 C ATOM 191 C SER A 16 10.939 -13.438 -7.813 1.00 0.00 C ATOM 192 O SER A 16 11.625 -12.576 -7.265 1.00 0.00 O ATOM 193 CB SER A 16 12.781 -15.104 -7.515 1.00 0.00 C ATOM 194 OG SER A 16 13.602 -16.038 -8.195 1.00 0.00 O ATOM 0 H SER A 16 12.908 -14.150 -9.882 1.00 0.00 H new ATOM 0 HA SER A 16 10.832 -15.511 -8.328 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.362 -14.215 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.442 -15.532 -6.572 1.00 0.00 H new ATOM 0 HG SER A 16 14.368 -16.272 -7.631 1.00 0.00 H new ATOM 200 N THR A 17 9.622 -13.327 -7.962 1.00 0.00 N ATOM 201 CA THR A 17 8.894 -12.161 -7.479 1.00 0.00 C ATOM 202 C THR A 17 7.582 -12.566 -6.818 1.00 0.00 C ATOM 203 O THR A 17 6.930 -13.531 -7.217 1.00 0.00 O ATOM 204 CB THR A 17 8.596 -11.172 -8.623 1.00 0.00 C ATOM 205 OG1 THR A 17 8.281 -11.890 -9.821 1.00 0.00 O ATOM 206 CG2 THR A 17 9.785 -10.257 -8.871 1.00 0.00 C ATOM 0 H THR A 17 9.038 -14.031 -8.414 1.00 0.00 H new ATOM 0 HA THR A 17 9.532 -11.673 -6.743 1.00 0.00 H new ATOM 0 HB THR A 17 7.742 -10.560 -8.332 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.091 -11.255 -10.543 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.551 -9.568 -9.683 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.003 -9.690 -7.966 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.654 -10.856 -9.143 1.00 0.00 H new ATOM 214 N PRO A 18 7.183 -11.813 -5.782 1.00 0.00 N ATOM 215 CA PRO A 18 5.944 -12.075 -5.044 1.00 0.00 C ATOM 216 C PRO A 18 4.701 -11.769 -5.871 1.00 0.00 C ATOM 217 O PRO A 18 4.555 -10.670 -6.408 1.00 0.00 O ATOM 218 CB PRO A 18 6.037 -11.125 -3.847 1.00 0.00 C ATOM 219 CG PRO A 18 6.923 -10.020 -4.308 1.00 0.00 C ATOM 220 CD PRO A 18 7.911 -10.648 -5.252 1.00 0.00 C ATOM 0 HA PRO A 18 5.849 -13.125 -4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.054 -10.751 -3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.453 -11.628 -2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.347 -9.241 -4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.432 -9.551 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.201 -9.960 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.825 -10.945 -4.738 1.00 0.00 H new ATOM 228 N SER A 19 3.806 -12.747 -5.970 1.00 0.00 N ATOM 229 CA SER A 19 2.576 -12.582 -6.736 1.00 0.00 C ATOM 230 C SER A 19 1.431 -12.132 -5.834 1.00 0.00 C ATOM 231 O SER A 19 0.687 -11.211 -6.169 1.00 0.00 O ATOM 232 CB SER A 19 2.205 -13.892 -7.433 1.00 0.00 C ATOM 233 OG SER A 19 1.489 -13.648 -8.631 1.00 0.00 O ATOM 0 H SER A 19 3.910 -13.661 -5.530 1.00 0.00 H new ATOM 0 HA SER A 19 2.747 -11.813 -7.489 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.110 -14.458 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.602 -14.505 -6.764 1.00 0.00 H new ATOM 0 HG SER A 19 1.265 -14.501 -9.058 1.00 0.00 H new ATOM 239 N ALA A 20 1.296 -12.789 -4.686 1.00 0.00 N ATOM 240 CA ALA A 20 0.244 -12.456 -3.734 1.00 0.00 C ATOM 241 C ALA A 20 0.574 -11.174 -2.978 1.00 0.00 C ATOM 242 O ALA A 20 -0.077 -10.142 -3.142 1.00 0.00 O ATOM 243 CB ALA A 20 0.030 -13.605 -2.761 1.00 0.00 C ATOM 0 H ALA A 20 1.903 -13.555 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.678 -12.291 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.758 -13.342 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.259 -14.500 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.954 -13.798 -2.217 1.00 0.00 H new ATOM 249 N PRO A 21 1.609 -11.238 -2.127 1.00 0.00 N ATOM 250 CA PRO A 21 2.048 -10.090 -1.327 1.00 0.00 C ATOM 251 C PRO A 21 2.690 -9.001 -2.180 1.00 0.00 C ATOM 252 O PRO A 21 3.091 -9.229 -3.322 1.00 0.00 O ATOM 253 CB PRO A 21 3.078 -10.697 -0.371 1.00 0.00 C ATOM 254 CG PRO A 21 3.588 -11.904 -1.081 1.00 0.00 C ATOM 255 CD PRO A 21 2.430 -12.435 -1.880 1.00 0.00 C ATOM 0 HA PRO A 21 1.214 -9.602 -0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.883 -9.994 -0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.624 -10.962 0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.426 -11.650 -1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.948 -12.650 -0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.761 -12.894 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.876 -13.195 -1.329 1.00 0.00 H new ATOM 263 N PRO A 22 2.792 -7.789 -1.616 1.00 0.00 N ATOM 264 CA PRO A 22 2.318 -7.506 -0.257 1.00 0.00 C ATOM 265 C PRO A 22 0.797 -7.533 -0.157 1.00 0.00 C ATOM 266 O PRO A 22 0.101 -6.959 -0.994 1.00 0.00 O ATOM 267 CB PRO A 22 2.847 -6.096 0.016 1.00 0.00 C ATOM 268 CG PRO A 22 2.998 -5.480 -1.332 1.00 0.00 C ATOM 269 CD PRO A 22 3.377 -6.601 -2.259 1.00 0.00 C ATOM 0 HA PRO A 22 2.663 -8.252 0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.155 -5.527 0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.799 -6.126 0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.069 -5.007 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.764 -4.705 -1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.975 -6.447 -3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.459 -6.690 -2.360 1.00 0.00 H new ATOM 277 N GLN A 23 0.288 -8.203 0.873 1.00 0.00 N ATOM 278 CA GLN A 23 -1.151 -8.304 1.081 1.00 0.00 C ATOM 279 C GLN A 23 -1.567 -7.589 2.363 1.00 0.00 C ATOM 280 O GLN A 23 -0.726 -7.080 3.104 1.00 0.00 O ATOM 281 CB GLN A 23 -1.577 -9.772 1.141 1.00 0.00 C ATOM 282 CG GLN A 23 -0.509 -10.693 1.709 1.00 0.00 C ATOM 283 CD GLN A 23 -0.946 -12.144 1.740 1.00 0.00 C ATOM 284 OE1 GLN A 23 -2.137 -12.447 1.671 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.019 -13.051 1.845 1.00 0.00 N ATOM 0 H GLN A 23 0.851 -8.683 1.575 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.649 -7.822 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.478 -9.856 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.838 -10.107 0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.398 -10.603 1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.258 -10.372 2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.994 -12.755 1.899 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.215 -14.044 1.871 1.00 0.00 H new ATOM 294 N LYS A 24 -2.870 -7.553 2.618 1.00 0.00 N ATOM 295 CA LYS A 24 -3.399 -6.902 3.810 1.00 0.00 C ATOM 296 C LYS A 24 -2.913 -5.459 3.902 1.00 0.00 C ATOM 297 O LYS A 24 -2.767 -4.911 4.995 1.00 0.00 O ATOM 298 CB LYS A 24 -2.984 -7.672 5.065 1.00 0.00 C ATOM 299 CG LYS A 24 -3.233 -9.168 4.971 1.00 0.00 C ATOM 300 CD LYS A 24 -3.031 -9.852 6.312 1.00 0.00 C ATOM 301 CE LYS A 24 -2.559 -11.288 6.140 1.00 0.00 C ATOM 302 NZ LYS A 24 -2.547 -12.027 7.433 1.00 0.00 N ATOM 0 H LYS A 24 -3.580 -7.968 2.014 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.487 -6.897 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.924 -7.500 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.528 -7.275 5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.249 -9.347 4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.559 -9.604 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.300 -9.296 6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.966 -9.840 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.211 -11.802 5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.557 -11.292 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.220 -13.001 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.905 -11.551 8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.508 -12.046 7.831 1.00 0.00 H new ATOM 316 N VAL A 25 -2.665 -4.848 2.748 1.00 0.00 N ATOM 317 CA VAL A 25 -2.198 -3.467 2.699 1.00 0.00 C ATOM 318 C VAL A 25 -3.214 -2.521 3.329 1.00 0.00 C ATOM 319 O VAL A 25 -4.285 -2.284 2.771 1.00 0.00 O ATOM 320 CB VAL A 25 -1.924 -3.019 1.251 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.587 -1.536 1.206 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.803 -3.847 0.641 1.00 0.00 C ATOM 0 H VAL A 25 -2.780 -5.287 1.835 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.268 -3.426 3.266 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.827 -3.180 0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.396 -1.237 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.424 -0.961 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.699 -1.346 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.622 -3.517 -0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.106 -3.719 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.088 -4.899 0.638 1.00 0.00 H new ATOM 332 N MET A 26 -2.869 -1.982 4.494 1.00 0.00 N ATOM 333 CA MET A 26 -3.751 -1.059 5.199 1.00 0.00 C ATOM 334 C MET A 26 -3.155 0.345 5.231 1.00 0.00 C ATOM 335 O MET A 26 -2.046 0.547 5.729 1.00 0.00 O ATOM 336 CB MET A 26 -4.005 -1.551 6.625 1.00 0.00 C ATOM 337 CG MET A 26 -4.818 -2.834 6.689 1.00 0.00 C ATOM 338 SD MET A 26 -4.931 -3.501 8.361 1.00 0.00 S ATOM 339 CE MET A 26 -4.120 -5.084 8.149 1.00 0.00 C ATOM 0 H MET A 26 -1.986 -2.168 4.969 1.00 0.00 H new ATOM 0 HA MET A 26 -4.699 -1.020 4.662 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.048 -1.712 7.121 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.526 -0.772 7.182 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.822 -2.643 6.309 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.366 -3.579 6.034 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.110 -5.618 9.099 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.660 -5.673 7.407 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.096 -4.926 7.811 1.00 0.00 H new ATOM 349 N CYS A 27 -3.896 1.310 4.698 1.00 0.00 N ATOM 350 CA CYS A 27 -3.439 2.695 4.666 1.00 0.00 C ATOM 351 C CYS A 27 -4.312 3.576 5.553 1.00 0.00 C ATOM 352 O CYS A 27 -5.536 3.451 5.558 1.00 0.00 O ATOM 353 CB CYS A 27 -3.451 3.224 3.231 1.00 0.00 C ATOM 354 SG CYS A 27 -2.426 2.273 2.084 1.00 0.00 S ATOM 0 H CYS A 27 -4.815 1.159 4.282 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.419 2.724 5.048 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.478 3.228 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.109 4.259 3.234 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.395 1.029 2.459 1.00 0.00 H new ATOM 360 N VAL A 28 -3.673 4.467 6.305 1.00 0.00 N ATOM 361 CA VAL A 28 -4.391 5.370 7.197 1.00 0.00 C ATOM 362 C VAL A 28 -3.787 6.769 7.165 1.00 0.00 C ATOM 363 O VAL A 28 -2.587 6.944 7.377 1.00 0.00 O ATOM 364 CB VAL A 28 -4.380 4.851 8.647 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.326 3.669 8.799 1.00 0.00 C ATOM 366 CG2 VAL A 28 -2.968 4.471 9.066 1.00 0.00 C ATOM 0 H VAL A 28 -2.660 4.583 6.314 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.421 5.414 6.842 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.727 5.650 9.303 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.305 3.316 9.830 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.339 3.978 8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.013 2.864 8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.979 4.106 10.093 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.591 3.689 8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.321 5.345 8.998 1.00 0.00 H new ATOM 376 N SER A 29 -4.627 7.764 6.900 1.00 0.00 N ATOM 377 CA SER A 29 -4.176 9.149 6.837 1.00 0.00 C ATOM 378 C SER A 29 -3.633 9.606 8.188 1.00 0.00 C ATOM 379 O SER A 29 -4.375 9.712 9.164 1.00 0.00 O ATOM 380 CB SER A 29 -5.324 10.062 6.402 1.00 0.00 C ATOM 381 OG SER A 29 -5.370 10.186 4.991 1.00 0.00 O ATOM 0 H SER A 29 -5.624 7.637 6.725 1.00 0.00 H new ATOM 0 HA SER A 29 -3.373 9.210 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.270 9.661 6.766 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.201 11.047 6.853 1.00 0.00 H new ATOM 0 HG SER A 29 -6.261 10.489 4.718 1.00 0.00 H new ATOM 387 N MET A 30 -2.332 9.874 8.236 1.00 0.00 N ATOM 388 CA MET A 30 -1.689 10.320 9.466 1.00 0.00 C ATOM 389 C MET A 30 -2.213 11.688 9.889 1.00 0.00 C ATOM 390 O MET A 30 -2.420 11.946 11.074 1.00 0.00 O ATOM 391 CB MET A 30 -0.171 10.377 9.282 1.00 0.00 C ATOM 392 CG MET A 30 0.496 9.011 9.310 1.00 0.00 C ATOM 393 SD MET A 30 0.663 8.355 10.981 1.00 0.00 S ATOM 394 CE MET A 30 -0.937 7.580 11.202 1.00 0.00 C ATOM 0 H MET A 30 -1.703 9.790 7.438 1.00 0.00 H new ATOM 0 HA MET A 30 -1.926 9.602 10.251 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.054 10.863 8.332 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.259 10.998 10.067 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.086 8.314 8.707 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.482 9.083 8.852 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.809 6.616 11.694 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.570 8.220 11.817 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.407 7.432 10.230 1.00 0.00 H new ATOM 404 N GLY A 31 -2.426 12.564 8.910 1.00 0.00 N ATOM 405 CA GLY A 31 -2.923 13.895 9.202 1.00 0.00 C ATOM 406 C GLY A 31 -3.675 14.502 8.034 1.00 0.00 C ATOM 407 O GLY A 31 -4.746 14.022 7.660 1.00 0.00 O ATOM 0 H GLY A 31 -2.263 12.375 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.580 13.852 10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.087 14.542 9.467 1.00 0.00 H new ATOM 411 N SER A 32 -3.116 15.561 7.457 1.00 0.00 N ATOM 412 CA SER A 32 -3.744 16.237 6.328 1.00 0.00 C ATOM 413 C SER A 32 -2.849 16.178 5.094 1.00 0.00 C ATOM 414 O SER A 32 -3.331 16.055 3.967 1.00 0.00 O ATOM 415 CB SER A 32 -4.046 17.694 6.683 1.00 0.00 C ATOM 416 OG SER A 32 -4.341 17.832 8.062 1.00 0.00 O ATOM 0 H SER A 32 -2.229 15.969 7.753 1.00 0.00 H new ATOM 0 HA SER A 32 -4.679 15.724 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.191 18.319 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.889 18.049 6.090 1.00 0.00 H new ATOM 0 HG SER A 32 -4.529 18.772 8.264 1.00 0.00 H new ATOM 422 N THR A 33 -1.541 16.267 5.314 1.00 0.00 N ATOM 423 CA THR A 33 -0.577 16.225 4.221 1.00 0.00 C ATOM 424 C THR A 33 0.377 15.046 4.374 1.00 0.00 C ATOM 425 O THR A 33 1.401 14.970 3.695 1.00 0.00 O ATOM 426 CB THR A 33 0.242 17.527 4.144 1.00 0.00 C ATOM 427 OG1 THR A 33 0.937 17.742 5.378 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.659 18.717 3.851 1.00 0.00 C ATOM 0 H THR A 33 -1.125 16.369 6.240 1.00 0.00 H new ATOM 0 HA THR A 33 -1.148 16.109 3.300 1.00 0.00 H new ATOM 0 HB THR A 33 0.963 17.429 3.333 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.457 18.571 5.321 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.058 19.625 3.801 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.165 18.564 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.401 18.816 4.644 1.00 0.00 H new ATOM 436 N THR A 34 0.034 14.126 5.270 1.00 0.00 N ATOM 437 CA THR A 34 0.860 12.950 5.513 1.00 0.00 C ATOM 438 C THR A 34 0.008 11.690 5.611 1.00 0.00 C ATOM 439 O THR A 34 -1.056 11.694 6.230 1.00 0.00 O ATOM 440 CB THR A 34 1.685 13.100 6.805 1.00 0.00 C ATOM 441 OG1 THR A 34 2.632 14.164 6.660 1.00 0.00 O ATOM 442 CG2 THR A 34 2.415 11.806 7.134 1.00 0.00 C ATOM 0 H THR A 34 -0.811 14.173 5.840 1.00 0.00 H new ATOM 0 HA THR A 34 1.539 12.861 4.665 1.00 0.00 H new ATOM 0 HB THR A 34 1.002 13.331 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.152 14.254 7.486 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.991 11.936 8.050 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.690 11.004 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.088 11.550 6.316 1.00 0.00 H new ATOM 450 N VAL A 35 0.483 10.611 4.996 1.00 0.00 N ATOM 451 CA VAL A 35 -0.235 9.342 5.016 1.00 0.00 C ATOM 452 C VAL A 35 0.663 8.210 5.502 1.00 0.00 C ATOM 453 O VAL A 35 1.873 8.223 5.275 1.00 0.00 O ATOM 454 CB VAL A 35 -0.783 8.985 3.621 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.463 7.625 3.646 1.00 0.00 C ATOM 456 CG2 VAL A 35 -1.742 10.061 3.135 1.00 0.00 C ATOM 0 H VAL A 35 1.361 10.591 4.478 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.070 9.462 5.707 1.00 0.00 H new ATOM 0 HB VAL A 35 0.053 8.933 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.844 7.390 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.744 6.864 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.290 7.645 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.120 9.793 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.576 10.147 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.219 11.015 3.076 1.00 0.00 H new ATOM 466 N ARG A 36 0.062 7.232 6.172 1.00 0.00 N ATOM 467 CA ARG A 36 0.808 6.092 6.691 1.00 0.00 C ATOM 468 C ARG A 36 0.249 4.781 6.143 1.00 0.00 C ATOM 469 O ARG A 36 -0.901 4.428 6.403 1.00 0.00 O ATOM 470 CB ARG A 36 0.761 6.078 8.220 1.00 0.00 C ATOM 471 CG ARG A 36 1.257 4.779 8.834 1.00 0.00 C ATOM 472 CD ARG A 36 1.739 4.985 10.261 1.00 0.00 C ATOM 473 NE ARG A 36 3.023 5.679 10.310 1.00 0.00 N ATOM 474 CZ ARG A 36 3.753 5.797 11.414 1.00 0.00 C ATOM 475 NH1 ARG A 36 3.327 5.270 12.553 1.00 0.00 N ATOM 476 NH2 ARG A 36 4.911 6.443 11.379 1.00 0.00 N ATOM 0 H ARG A 36 -0.939 7.206 6.368 1.00 0.00 H new ATOM 0 HA ARG A 36 1.844 6.190 6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.363 6.903 8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.264 6.255 8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.455 4.041 8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.069 4.376 8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.996 5.558 10.815 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.830 4.018 10.756 1.00 0.00 H new ATOM 0 HE ARG A 36 3.379 6.096 9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.437 4.773 12.583 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.889 5.362 13.399 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.242 6.850 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.471 6.533 12.227 1.00 0.00 H new ATOM 490 N VAL A 37 1.071 4.065 5.384 1.00 0.00 N ATOM 491 CA VAL A 37 0.660 2.794 4.799 1.00 0.00 C ATOM 492 C VAL A 37 1.540 1.652 5.295 1.00 0.00 C ATOM 493 O VAL A 37 2.759 1.791 5.393 1.00 0.00 O ATOM 494 CB VAL A 37 0.715 2.840 3.261 1.00 0.00 C ATOM 495 CG1 VAL A 37 2.019 3.467 2.791 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.546 1.444 2.680 1.00 0.00 C ATOM 0 H VAL A 37 2.026 4.343 5.159 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.369 2.619 5.112 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.108 3.460 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.039 3.491 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.094 4.483 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.859 2.877 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.587 1.495 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.346 0.799 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.417 1.036 2.988 1.00 0.00 H new ATOM 506 N SER A 38 0.913 0.521 5.605 1.00 0.00 N ATOM 507 CA SER A 38 1.638 -0.646 6.094 1.00 0.00 C ATOM 508 C SER A 38 1.074 -1.928 5.489 1.00 0.00 C ATOM 509 O SER A 38 -0.090 -1.980 5.093 1.00 0.00 O ATOM 510 CB SER A 38 1.568 -0.714 7.620 1.00 0.00 C ATOM 511 OG SER A 38 0.235 -0.910 8.061 1.00 0.00 O ATOM 0 H SER A 38 -0.095 0.388 5.526 1.00 0.00 H new ATOM 0 HA SER A 38 2.680 -0.549 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.197 -1.528 7.980 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.964 0.208 8.047 1.00 0.00 H new ATOM 0 HG SER A 38 0.217 -0.952 9.040 1.00 0.00 H new ATOM 517 N TRP A 39 1.908 -2.960 5.423 1.00 0.00 N ATOM 518 CA TRP A 39 1.493 -4.243 4.868 1.00 0.00 C ATOM 519 C TRP A 39 1.892 -5.390 5.789 1.00 0.00 C ATOM 520 O TRP A 39 2.613 -5.191 6.767 1.00 0.00 O ATOM 521 CB TRP A 39 2.111 -4.446 3.483 1.00 0.00 C ATOM 522 CG TRP A 39 3.528 -3.966 3.389 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.655 -4.737 3.367 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.969 -2.606 3.306 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.769 -3.939 3.276 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.375 -2.628 3.236 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.312 -1.373 3.283 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.133 -1.463 3.145 1.00 0.00 C ATOM 529 CZ3 TRP A 39 4.066 -0.218 3.193 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.464 -0.270 3.124 1.00 0.00 C ATOM 0 H TRP A 39 2.875 -2.933 5.747 1.00 0.00 H new ATOM 0 HA TRP A 39 0.407 -4.237 4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.076 -5.505 3.229 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.507 -3.921 2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.668 -5.816 3.414 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.734 -4.269 3.243 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.234 -1.323 3.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.211 -1.500 3.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.569 0.741 3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 39 6.025 0.650 3.053 1.00 0.00 H new ATOM 541 N VAL A 40 1.420 -6.591 5.472 1.00 0.00 N ATOM 542 CA VAL A 40 1.729 -7.770 6.271 1.00 0.00 C ATOM 543 C VAL A 40 3.051 -8.394 5.841 1.00 0.00 C ATOM 544 O VAL A 40 3.181 -8.941 4.746 1.00 0.00 O ATOM 545 CB VAL A 40 0.615 -8.829 6.164 1.00 0.00 C ATOM 546 CG1 VAL A 40 0.457 -9.294 4.724 1.00 0.00 C ATOM 547 CG2 VAL A 40 0.908 -10.005 7.084 1.00 0.00 C ATOM 0 H VAL A 40 0.821 -6.773 4.666 1.00 0.00 H new ATOM 0 HA VAL A 40 1.807 -7.439 7.307 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.325 -8.376 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.334 -10.042 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.198 -8.444 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.394 -9.730 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.111 -10.743 6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.857 -10.460 6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.966 -9.655 8.115 1.00 0.00 H new ATOM 557 N PRO A 41 4.059 -8.313 6.723 1.00 0.00 N ATOM 558 CA PRO A 41 5.390 -8.865 6.458 1.00 0.00 C ATOM 559 C PRO A 41 5.393 -10.390 6.447 1.00 0.00 C ATOM 560 O PRO A 41 5.226 -11.043 7.477 1.00 0.00 O ATOM 561 CB PRO A 41 6.232 -8.337 7.622 1.00 0.00 C ATOM 562 CG PRO A 41 5.253 -8.096 8.719 1.00 0.00 C ATOM 563 CD PRO A 41 3.975 -7.675 8.048 1.00 0.00 C ATOM 0 HA PRO A 41 5.764 -8.573 5.477 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.992 -9.059 7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.754 -7.420 7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.103 -8.997 9.313 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.611 -7.322 9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.100 -8.014 8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.902 -6.590 7.968 1.00 0.00 H new ATOM 571 N PRO A 42 5.589 -10.974 5.255 1.00 0.00 N ATOM 572 CA PRO A 42 5.620 -12.429 5.082 1.00 0.00 C ATOM 573 C PRO A 42 6.860 -13.061 5.705 1.00 0.00 C ATOM 574 O PRO A 42 7.992 -12.651 5.445 1.00 0.00 O ATOM 575 CB PRO A 42 5.636 -12.605 3.562 1.00 0.00 C ATOM 576 CG PRO A 42 6.232 -11.343 3.040 1.00 0.00 C ATOM 577 CD PRO A 42 5.795 -10.258 3.985 1.00 0.00 C ATOM 0 HA PRO A 42 4.777 -12.916 5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.228 -13.473 3.270 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.630 -12.759 3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.319 -11.412 3.000 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.888 -11.139 2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.552 -9.480 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.880 -9.773 3.644 1.00 0.00 H new ATOM 585 N PRO A 43 6.645 -14.083 6.546 1.00 0.00 N ATOM 586 CA PRO A 43 7.735 -14.793 7.223 1.00 0.00 C ATOM 587 C PRO A 43 8.565 -15.634 6.259 1.00 0.00 C ATOM 588 O PRO A 43 8.077 -16.059 5.212 1.00 0.00 O ATOM 589 CB PRO A 43 7.004 -15.693 8.223 1.00 0.00 C ATOM 590 CG PRO A 43 5.652 -15.896 7.633 1.00 0.00 C ATOM 591 CD PRO A 43 5.323 -14.623 6.903 1.00 0.00 C ATOM 0 HA PRO A 43 8.444 -14.106 7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.524 -16.642 8.356 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.941 -15.224 9.205 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.647 -16.748 6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.915 -16.103 8.409 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.714 -14.813 6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.763 -13.932 7.533 1.00 0.00 H new ATOM 599 N ALA A 44 9.822 -15.870 6.619 1.00 0.00 N ATOM 600 CA ALA A 44 10.719 -16.662 5.787 1.00 0.00 C ATOM 601 C ALA A 44 10.079 -17.991 5.399 1.00 0.00 C ATOM 602 O ALA A 44 10.467 -18.613 4.410 1.00 0.00 O ATOM 603 CB ALA A 44 12.037 -16.900 6.509 1.00 0.00 C ATOM 0 H ALA A 44 10.242 -15.524 7.482 1.00 0.00 H new ATOM 0 HA ALA A 44 10.914 -16.102 4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 44 12.697 -17.493 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.509 -15.943 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.850 -17.435 7.440 1.00 0.00 H new ATOM 609 N ASP A 45 9.097 -18.420 6.184 1.00 0.00 N ATOM 610 CA ASP A 45 8.402 -19.675 5.922 1.00 0.00 C ATOM 611 C ASP A 45 7.497 -19.551 4.701 1.00 0.00 C ATOM 612 O ASP A 45 7.671 -20.262 3.711 1.00 0.00 O ATOM 613 CB ASP A 45 7.578 -20.091 7.142 1.00 0.00 C ATOM 614 CG ASP A 45 8.419 -20.777 8.202 1.00 0.00 C ATOM 615 OD1 ASP A 45 9.047 -21.808 7.884 1.00 0.00 O ATOM 616 OD2 ASP A 45 8.448 -20.282 9.347 1.00 0.00 O ATOM 0 H ASP A 45 8.764 -17.917 7.007 1.00 0.00 H new ATOM 0 HA ASP A 45 9.151 -20.441 5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.103 -19.210 7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.779 -20.762 6.826 1.00 0.00 H new ATOM 621 N SER A 46 6.529 -18.643 4.777 1.00 0.00 N ATOM 622 CA SER A 46 5.593 -18.429 3.680 1.00 0.00 C ATOM 623 C SER A 46 6.112 -17.359 2.724 1.00 0.00 C ATOM 624 O SER A 46 5.844 -16.170 2.902 1.00 0.00 O ATOM 625 CB SER A 46 4.221 -18.023 4.223 1.00 0.00 C ATOM 626 OG SER A 46 3.614 -19.093 4.927 1.00 0.00 O ATOM 0 H SER A 46 6.373 -18.044 5.587 1.00 0.00 H new ATOM 0 HA SER A 46 5.495 -19.365 3.131 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.328 -17.163 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.577 -17.714 3.399 1.00 0.00 H new ATOM 0 HG SER A 46 2.740 -18.808 5.265 1.00 0.00 H new ATOM 632 N ARG A 47 6.855 -17.789 1.711 1.00 0.00 N ATOM 633 CA ARG A 47 7.413 -16.869 0.728 1.00 0.00 C ATOM 634 C ARG A 47 7.918 -17.624 -0.499 1.00 0.00 C ATOM 635 O ARG A 47 8.177 -18.825 -0.437 1.00 0.00 O ATOM 636 CB ARG A 47 8.554 -16.058 1.346 1.00 0.00 C ATOM 637 CG ARG A 47 8.082 -14.849 2.137 1.00 0.00 C ATOM 638 CD ARG A 47 9.115 -13.733 2.118 1.00 0.00 C ATOM 639 NE ARG A 47 10.080 -13.863 3.207 1.00 0.00 N ATOM 640 CZ ARG A 47 11.069 -13.002 3.418 1.00 0.00 C ATOM 641 NH1 ARG A 47 11.223 -11.954 2.621 1.00 0.00 N ATOM 642 NH2 ARG A 47 11.907 -13.188 4.430 1.00 0.00 N ATOM 0 H ARG A 47 7.085 -18.769 1.549 1.00 0.00 H new ATOM 0 HA ARG A 47 6.621 -16.189 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.136 -16.706 2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.223 -15.724 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.143 -14.484 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.881 -15.143 3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.642 -13.742 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.610 -12.770 2.194 1.00 0.00 H new ATOM 0 HE ARG A 47 9.989 -14.658 3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.581 -11.807 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.984 -11.295 2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.792 -13.993 5.046 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.666 -12.526 4.592 1.00 0.00 H new ATOM 656 N ASN A 48 8.055 -16.910 -1.612 1.00 0.00 N ATOM 657 CA ASN A 48 8.528 -17.513 -2.852 1.00 0.00 C ATOM 658 C ASN A 48 9.781 -16.804 -3.359 1.00 0.00 C ATOM 659 O ASN A 48 10.552 -17.364 -4.138 1.00 0.00 O ATOM 660 CB ASN A 48 7.433 -17.461 -3.919 1.00 0.00 C ATOM 661 CG ASN A 48 6.856 -16.069 -4.088 1.00 0.00 C ATOM 662 OD1 ASN A 48 7.087 -15.185 -3.263 1.00 0.00 O ATOM 663 ND2 ASN A 48 6.099 -15.868 -5.161 1.00 0.00 N ATOM 0 H ASN A 48 7.845 -15.914 -1.680 1.00 0.00 H new ATOM 0 HA ASN A 48 8.778 -18.554 -2.648 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.841 -17.800 -4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.634 -18.152 -3.650 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.683 -14.952 -5.327 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.934 -16.630 -5.819 1.00 0.00 H new ATOM 670 N GLY A 49 9.977 -15.568 -2.910 1.00 0.00 N ATOM 671 CA GLY A 49 11.137 -14.803 -3.327 1.00 0.00 C ATOM 672 C GLY A 49 11.832 -14.122 -2.165 1.00 0.00 C ATOM 673 O GLY A 49 11.609 -14.474 -1.006 1.00 0.00 O ATOM 0 H GLY A 49 9.353 -15.083 -2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.842 -15.464 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.830 -14.051 -4.054 1.00 0.00 H new ATOM 677 N VAL A 50 12.679 -13.145 -2.473 1.00 0.00 N ATOM 678 CA VAL A 50 13.409 -12.414 -1.445 1.00 0.00 C ATOM 679 C VAL A 50 13.220 -10.909 -1.601 1.00 0.00 C ATOM 680 O VAL A 50 13.748 -10.300 -2.532 1.00 0.00 O ATOM 681 CB VAL A 50 14.914 -12.738 -1.488 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.488 -12.431 -2.863 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.656 -11.965 -0.407 1.00 0.00 C ATOM 0 H VAL A 50 12.876 -12.842 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 50 13.004 -12.730 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 50 15.044 -13.803 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.552 -12.666 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.976 -13.033 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.348 -11.374 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.718 -12.206 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.519 -10.895 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.263 -12.240 0.572 1.00 0.00 H new ATOM 693 N ILE A 51 12.463 -10.315 -0.684 1.00 0.00 N ATOM 694 CA ILE A 51 12.206 -8.881 -0.719 1.00 0.00 C ATOM 695 C ILE A 51 13.470 -8.087 -0.406 1.00 0.00 C ATOM 696 O ILE A 51 14.051 -8.224 0.671 1.00 0.00 O ATOM 697 CB ILE A 51 11.102 -8.483 0.279 1.00 0.00 C ATOM 698 CG1 ILE A 51 9.922 -9.452 0.182 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.645 -7.055 0.021 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.438 -9.674 -1.234 1.00 0.00 C ATOM 0 H ILE A 51 12.017 -10.805 0.092 1.00 0.00 H new ATOM 0 HA ILE A 51 11.874 -8.645 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 51 11.509 -8.537 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.213 -10.410 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.097 -9.069 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.865 -6.788 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.490 -6.376 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.252 -6.976 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.600 -10.372 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.116 -8.724 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.248 -10.086 -1.835 1.00 0.00 H new ATOM 712 N THR A 52 13.890 -7.256 -1.354 1.00 0.00 N ATOM 713 CA THR A 52 15.084 -6.439 -1.180 1.00 0.00 C ATOM 714 C THR A 52 14.722 -5.015 -0.775 1.00 0.00 C ATOM 715 O THR A 52 15.416 -4.393 0.029 1.00 0.00 O ATOM 716 CB THR A 52 15.928 -6.396 -2.468 1.00 0.00 C ATOM 717 OG1 THR A 52 15.515 -5.296 -3.287 1.00 0.00 O ATOM 718 CG2 THR A 52 15.792 -7.695 -3.248 1.00 0.00 C ATOM 0 H THR A 52 13.421 -7.131 -2.251 1.00 0.00 H new ATOM 0 HA THR A 52 15.670 -6.901 -0.386 1.00 0.00 H new ATOM 0 HB THR A 52 16.973 -6.268 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.057 -5.274 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.397 -7.641 -4.153 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.134 -8.527 -2.632 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.747 -7.849 -3.518 1.00 0.00 H new ATOM 726 N GLN A 53 13.631 -4.504 -1.337 1.00 0.00 N ATOM 727 CA GLN A 53 13.178 -3.152 -1.033 1.00 0.00 C ATOM 728 C GLN A 53 11.703 -2.981 -1.380 1.00 0.00 C ATOM 729 O GLN A 53 11.178 -3.666 -2.259 1.00 0.00 O ATOM 730 CB GLN A 53 14.016 -2.126 -1.798 1.00 0.00 C ATOM 731 CG GLN A 53 13.911 -2.260 -3.309 1.00 0.00 C ATOM 732 CD GLN A 53 12.788 -1.427 -3.892 1.00 0.00 C ATOM 733 OE1 GLN A 53 11.617 -1.802 -3.818 1.00 0.00 O ATOM 734 NE2 GLN A 53 13.138 -0.287 -4.478 1.00 0.00 N ATOM 0 H GLN A 53 13.045 -5.005 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 53 13.302 -2.987 0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.702 -1.123 -1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.060 -2.230 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.855 -1.959 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.753 -3.307 -3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.120 -0.014 -4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.425 0.315 -4.889 1.00 0.00 H new ATOM 743 N TYR A 54 11.038 -2.065 -0.685 1.00 0.00 N ATOM 744 CA TYR A 54 9.622 -1.806 -0.918 1.00 0.00 C ATOM 745 C TYR A 54 9.419 -0.451 -1.587 1.00 0.00 C ATOM 746 O TYR A 54 10.039 0.542 -1.205 1.00 0.00 O ATOM 747 CB TYR A 54 8.849 -1.858 0.401 1.00 0.00 C ATOM 748 CG TYR A 54 8.587 -3.263 0.894 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.557 -4.027 0.359 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.368 -3.826 1.896 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.313 -5.311 0.808 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.132 -5.109 2.349 1.00 0.00 C ATOM 753 CZ TYR A 54 8.103 -5.847 1.802 1.00 0.00 C ATOM 754 OH TYR A 54 7.864 -7.126 2.252 1.00 0.00 O ATOM 0 H TYR A 54 11.457 -1.489 0.045 1.00 0.00 H new ATOM 0 HA TYR A 54 9.242 -2.580 -1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.408 -1.313 1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.897 -1.343 0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.937 -3.610 -0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.173 -3.250 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.508 -5.891 0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.750 -5.532 3.127 1.00 0.00 H new ATOM 0 HH TYR A 54 8.510 -7.352 2.953 1.00 0.00 H new ATOM 764 N SER A 55 8.545 -0.417 -2.588 1.00 0.00 N ATOM 765 CA SER A 55 8.261 0.815 -3.314 1.00 0.00 C ATOM 766 C SER A 55 6.827 1.273 -3.066 1.00 0.00 C ATOM 767 O SER A 55 5.923 0.456 -2.894 1.00 0.00 O ATOM 768 CB SER A 55 8.492 0.614 -4.813 1.00 0.00 C ATOM 769 OG SER A 55 8.891 1.823 -5.435 1.00 0.00 O ATOM 0 H SER A 55 8.021 -1.229 -2.915 1.00 0.00 H new ATOM 0 HA SER A 55 8.939 1.587 -2.950 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.257 -0.147 -4.967 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.578 0.246 -5.279 1.00 0.00 H new ATOM 0 HG SER A 55 9.034 1.667 -6.392 1.00 0.00 H new ATOM 775 N VAL A 56 6.627 2.587 -3.048 1.00 0.00 N ATOM 776 CA VAL A 56 5.304 3.157 -2.822 1.00 0.00 C ATOM 777 C VAL A 56 4.994 4.248 -3.840 1.00 0.00 C ATOM 778 O VAL A 56 5.887 4.968 -4.285 1.00 0.00 O ATOM 779 CB VAL A 56 5.180 3.743 -1.403 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.725 4.036 -1.071 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.789 2.795 -0.381 1.00 0.00 C ATOM 0 H VAL A 56 7.365 3.277 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 56 4.586 2.345 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 56 5.731 4.683 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.658 4.449 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.326 4.755 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.147 3.113 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.693 3.224 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.268 1.838 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.844 2.642 -0.610 1.00 0.00 H new ATOM 791 N ALA A 57 3.721 4.365 -4.205 1.00 0.00 N ATOM 792 CA ALA A 57 3.293 5.371 -5.169 1.00 0.00 C ATOM 793 C ALA A 57 1.920 5.928 -4.807 1.00 0.00 C ATOM 794 O ALA A 57 0.981 5.174 -4.551 1.00 0.00 O ATOM 795 CB ALA A 57 3.272 4.782 -6.572 1.00 0.00 C ATOM 0 H ALA A 57 2.969 3.776 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 57 4.009 6.193 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.951 5.544 -7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.272 4.438 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.579 3.942 -6.603 1.00 0.00 H new ATOM 801 N TYR A 58 1.811 7.252 -4.786 1.00 0.00 N ATOM 802 CA TYR A 58 0.554 7.910 -4.452 1.00 0.00 C ATOM 803 C TYR A 58 0.132 8.873 -5.558 1.00 0.00 C ATOM 804 O TYR A 58 0.953 9.617 -6.093 1.00 0.00 O ATOM 805 CB TYR A 58 0.684 8.662 -3.127 1.00 0.00 C ATOM 806 CG TYR A 58 1.902 9.556 -3.055 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.154 9.034 -2.758 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.800 10.923 -3.285 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.270 9.846 -2.691 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.909 11.742 -3.221 1.00 0.00 C ATOM 811 CZ TYR A 58 4.142 11.200 -2.924 1.00 0.00 C ATOM 812 OH TYR A 58 5.250 12.014 -2.858 1.00 0.00 O ATOM 0 H TYR A 58 2.578 7.890 -4.996 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.213 7.142 -4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.210 9.267 -2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.725 7.940 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.257 7.974 -2.576 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.836 11.352 -3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.236 9.424 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.812 12.802 -3.403 1.00 0.00 H new ATOM 0 HH TYR A 58 5.380 12.460 -3.721 1.00 0.00 H new ATOM 822 N GLU A 59 -1.154 8.853 -5.893 1.00 0.00 N ATOM 823 CA GLU A 59 -1.685 9.724 -6.935 1.00 0.00 C ATOM 824 C GLU A 59 -3.124 10.125 -6.627 1.00 0.00 C ATOM 825 O GLU A 59 -3.981 9.273 -6.392 1.00 0.00 O ATOM 826 CB GLU A 59 -1.618 9.028 -8.296 1.00 0.00 C ATOM 827 CG GLU A 59 -1.954 9.941 -9.463 1.00 0.00 C ATOM 828 CD GLU A 59 -2.453 9.178 -10.675 1.00 0.00 C ATOM 829 OE1 GLU A 59 -2.029 8.019 -10.863 1.00 0.00 O ATOM 830 OE2 GLU A 59 -3.268 9.741 -11.435 1.00 0.00 O ATOM 0 H GLU A 59 -1.847 8.244 -5.458 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.073 10.626 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.616 8.623 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.306 8.183 -8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.714 10.658 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.068 10.514 -9.738 1.00 0.00 H new ATOM 837 N ALA A 60 -3.382 11.429 -6.629 1.00 0.00 N ATOM 838 CA ALA A 60 -4.718 11.944 -6.352 1.00 0.00 C ATOM 839 C ALA A 60 -5.720 11.461 -7.394 1.00 0.00 C ATOM 840 O ALA A 60 -5.526 11.656 -8.594 1.00 0.00 O ATOM 841 CB ALA A 60 -4.697 13.465 -6.301 1.00 0.00 C ATOM 0 H ALA A 60 -2.684 12.148 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.033 11.563 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.701 13.836 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.019 13.793 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.356 13.857 -7.260 1.00 0.00 H new ATOM 847 N VAL A 61 -6.793 10.829 -6.929 1.00 0.00 N ATOM 848 CA VAL A 61 -7.826 10.318 -7.822 1.00 0.00 C ATOM 849 C VAL A 61 -8.865 11.390 -8.131 1.00 0.00 C ATOM 850 O VAL A 61 -9.364 11.481 -9.252 1.00 0.00 O ATOM 851 CB VAL A 61 -8.535 9.091 -7.216 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.363 9.496 -6.006 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.402 8.408 -8.262 1.00 0.00 C ATOM 0 H VAL A 61 -6.969 10.659 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.328 10.022 -8.745 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.777 8.381 -6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.856 8.617 -5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.712 9.937 -5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.115 10.225 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.895 7.544 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.154 9.108 -8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.779 8.082 -9.094 1.00 0.00 H new ATOM 863 N ASP A 62 -9.186 12.201 -7.128 1.00 0.00 N ATOM 864 CA ASP A 62 -10.164 13.269 -7.293 1.00 0.00 C ATOM 865 C ASP A 62 -9.535 14.630 -7.015 1.00 0.00 C ATOM 866 O ASP A 62 -10.230 15.642 -6.931 1.00 0.00 O ATOM 867 CB ASP A 62 -11.357 13.045 -6.362 1.00 0.00 C ATOM 868 CG ASP A 62 -11.016 13.313 -4.909 1.00 0.00 C ATOM 869 OD1 ASP A 62 -9.850 13.086 -4.521 1.00 0.00 O ATOM 870 OD2 ASP A 62 -11.913 13.751 -4.160 1.00 0.00 O ATOM 0 H ASP A 62 -8.783 12.139 -6.193 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.511 13.254 -8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.178 13.695 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.708 12.018 -6.466 1.00 0.00 H new ATOM 875 N GLY A 63 -8.213 14.647 -6.871 1.00 0.00 N ATOM 876 CA GLY A 63 -7.512 15.889 -6.603 1.00 0.00 C ATOM 877 C GLY A 63 -7.429 16.784 -7.824 1.00 0.00 C ATOM 878 O GLY A 63 -8.107 16.545 -8.823 1.00 0.00 O ATOM 0 H GLY A 63 -7.615 13.823 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.019 16.423 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.505 15.665 -6.251 1.00 0.00 H new ATOM 882 N GLU A 64 -6.596 17.817 -7.743 1.00 0.00 N ATOM 883 CA GLU A 64 -6.429 18.751 -8.850 1.00 0.00 C ATOM 884 C GLU A 64 -5.376 18.248 -9.833 1.00 0.00 C ATOM 885 O GLU A 64 -5.508 18.423 -11.044 1.00 0.00 O ATOM 886 CB GLU A 64 -6.035 20.133 -8.326 1.00 0.00 C ATOM 887 CG GLU A 64 -7.147 20.836 -7.565 1.00 0.00 C ATOM 888 CD GLU A 64 -6.668 22.088 -6.855 1.00 0.00 C ATOM 889 OE1 GLU A 64 -6.010 21.956 -5.802 1.00 0.00 O ATOM 890 OE2 GLU A 64 -6.951 23.197 -7.353 1.00 0.00 O ATOM 0 H GLU A 64 -6.027 18.028 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.382 18.827 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.168 20.031 -7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.730 20.757 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.946 21.099 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.573 20.149 -6.834 1.00 0.00 H new ATOM 897 N ASP A 65 -4.331 17.624 -9.302 1.00 0.00 N ATOM 898 CA ASP A 65 -3.254 17.094 -10.131 1.00 0.00 C ATOM 899 C ASP A 65 -3.239 15.570 -10.093 1.00 0.00 C ATOM 900 O ASP A 65 -3.222 14.965 -9.021 1.00 0.00 O ATOM 901 CB ASP A 65 -1.905 17.642 -9.662 1.00 0.00 C ATOM 902 CG ASP A 65 -0.747 17.104 -10.479 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.690 17.395 -11.692 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.104 16.392 -9.905 1.00 0.00 O ATOM 0 H ASP A 65 -4.206 17.472 -8.301 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.429 17.412 -11.159 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.916 18.730 -9.725 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.756 17.385 -8.613 1.00 0.00 H new ATOM 909 N ARG A 66 -3.247 14.954 -11.271 1.00 0.00 N ATOM 910 CA ARG A 66 -3.236 13.500 -11.373 1.00 0.00 C ATOM 911 C ARG A 66 -1.807 12.970 -11.450 1.00 0.00 C ATOM 912 O ARG A 66 -1.559 11.901 -12.006 1.00 0.00 O ATOM 913 CB ARG A 66 -4.025 13.048 -12.603 1.00 0.00 C ATOM 914 CG ARG A 66 -5.519 12.914 -12.353 1.00 0.00 C ATOM 915 CD ARG A 66 -5.857 11.586 -11.694 1.00 0.00 C ATOM 916 NE ARG A 66 -5.881 10.488 -12.656 1.00 0.00 N ATOM 917 CZ ARG A 66 -6.943 10.181 -13.394 1.00 0.00 C ATOM 918 NH1 ARG A 66 -8.060 10.886 -13.280 1.00 0.00 N ATOM 919 NH2 ARG A 66 -6.888 9.167 -14.248 1.00 0.00 N ATOM 0 H ARG A 66 -3.261 15.440 -12.168 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.707 13.095 -10.477 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.863 13.762 -13.411 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.634 12.089 -12.942 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.858 13.733 -11.718 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.056 13.000 -13.298 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.124 11.370 -10.916 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.828 11.661 -11.205 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.037 9.926 -12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.106 11.666 -12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.873 10.648 -13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.030 8.622 -14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.703 8.932 -14.814 1.00 0.00 H new ATOM 933 N GLY A 67 -0.870 13.727 -10.887 1.00 0.00 N ATOM 934 CA GLY A 67 0.523 13.319 -10.904 1.00 0.00 C ATOM 935 C GLY A 67 0.826 12.253 -9.869 1.00 0.00 C ATOM 936 O GLY A 67 0.705 12.493 -8.668 1.00 0.00 O ATOM 0 H GLY A 67 -1.051 14.615 -10.419 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.776 12.942 -11.895 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.155 14.188 -10.722 1.00 0.00 H new ATOM 940 N ARG A 68 1.219 11.072 -10.336 1.00 0.00 N ATOM 941 CA ARG A 68 1.538 9.965 -9.442 1.00 0.00 C ATOM 942 C ARG A 68 2.996 10.028 -8.997 1.00 0.00 C ATOM 943 O ARG A 68 3.910 10.014 -9.822 1.00 0.00 O ATOM 944 CB ARG A 68 1.262 8.629 -10.134 1.00 0.00 C ATOM 945 CG ARG A 68 1.612 7.419 -9.282 1.00 0.00 C ATOM 946 CD ARG A 68 3.047 6.971 -9.513 1.00 0.00 C ATOM 947 NE ARG A 68 3.227 6.371 -10.833 1.00 0.00 N ATOM 948 CZ ARG A 68 2.924 5.108 -11.113 1.00 0.00 C ATOM 949 NH1 ARG A 68 2.429 4.317 -10.171 1.00 0.00 N ATOM 950 NH2 ARG A 68 3.116 4.635 -12.337 1.00 0.00 N ATOM 0 H ARG A 68 1.324 10.857 -11.328 1.00 0.00 H new ATOM 0 HA ARG A 68 0.903 10.048 -8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.207 8.580 -10.404 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.831 8.586 -11.063 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.470 7.661 -8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.932 6.600 -9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.715 7.826 -9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.330 6.251 -8.746 1.00 0.00 H new ATOM 0 HE ARG A 68 3.606 6.953 -11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.280 4.678 -9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.197 3.348 -10.389 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.496 5.241 -13.064 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.883 3.665 -12.551 1.00 0.00 H new ATOM 964 N HIS A 69 3.206 10.100 -7.686 1.00 0.00 N ATOM 965 CA HIS A 69 4.553 10.165 -7.131 1.00 0.00 C ATOM 966 C HIS A 69 5.045 8.777 -6.733 1.00 0.00 C ATOM 967 O HIS A 69 4.252 7.851 -6.564 1.00 0.00 O ATOM 968 CB HIS A 69 4.583 11.096 -5.918 1.00 0.00 C ATOM 969 CG HIS A 69 4.710 12.545 -6.278 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.805 13.311 -5.941 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.872 13.366 -6.953 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.634 14.541 -6.390 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.469 14.601 -7.008 1.00 0.00 N ATOM 0 H HIS A 69 2.461 10.115 -6.989 1.00 0.00 H new ATOM 0 HA HIS A 69 5.217 10.560 -7.900 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.671 10.953 -5.338 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.417 10.815 -5.275 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.912 13.099 -7.371 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.329 15.359 -6.272 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.076 15.430 -7.454 1.00 0.00 H new ATOM 982 N VAL A 70 6.359 8.639 -6.585 1.00 0.00 N ATOM 983 CA VAL A 70 6.956 7.364 -6.207 1.00 0.00 C ATOM 984 C VAL A 70 8.030 7.555 -5.142 1.00 0.00 C ATOM 985 O VAL A 70 8.811 8.506 -5.195 1.00 0.00 O ATOM 986 CB VAL A 70 7.577 6.652 -7.424 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.127 5.291 -7.023 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.552 6.515 -8.540 1.00 0.00 C ATOM 0 H VAL A 70 7.030 9.395 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 70 6.154 6.746 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 70 8.405 7.257 -7.794 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.562 4.803 -7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.894 5.419 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.320 4.675 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.007 6.010 -9.392 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.702 5.932 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.211 7.505 -8.844 1.00 0.00 H new ATOM 998 N VAL A 71 8.065 6.644 -4.174 1.00 0.00 N ATOM 999 CA VAL A 71 9.044 6.710 -3.096 1.00 0.00 C ATOM 1000 C VAL A 71 10.187 5.729 -3.331 1.00 0.00 C ATOM 1001 O VAL A 71 9.961 4.563 -3.654 1.00 0.00 O ATOM 1002 CB VAL A 71 8.397 6.411 -1.731 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.435 6.479 -0.621 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.252 7.375 -1.461 1.00 0.00 C ATOM 0 H VAL A 71 7.426 5.851 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 71 9.438 7.726 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 71 7.992 5.399 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.959 6.265 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.218 5.744 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.873 7.477 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.807 7.149 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.630 8.397 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.497 7.271 -2.240 1.00 0.00 H new ATOM 1014 N ASP A 72 11.415 6.209 -3.166 1.00 0.00 N ATOM 1015 CA ASP A 72 12.595 5.374 -3.358 1.00 0.00 C ATOM 1016 C ASP A 72 13.479 5.388 -2.115 1.00 0.00 C ATOM 1017 O ASP A 72 13.520 6.375 -1.382 1.00 0.00 O ATOM 1018 CB ASP A 72 13.392 5.853 -4.572 1.00 0.00 C ATOM 1019 CG ASP A 72 12.758 5.434 -5.884 1.00 0.00 C ATOM 1020 OD1 ASP A 72 11.512 5.410 -5.958 1.00 0.00 O ATOM 1021 OD2 ASP A 72 13.507 5.129 -6.835 1.00 0.00 O ATOM 0 H ASP A 72 11.619 7.172 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 72 12.262 4.351 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.475 6.939 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.405 5.454 -4.518 1.00 0.00 H new ATOM 1026 N GLY A 73 14.184 4.285 -1.884 1.00 0.00 N ATOM 1027 CA GLY A 73 15.057 4.191 -0.728 1.00 0.00 C ATOM 1028 C GLY A 73 14.306 3.829 0.538 1.00 0.00 C ATOM 1029 O GLY A 73 14.421 4.516 1.553 1.00 0.00 O ATOM 0 H GLY A 73 14.166 3.455 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.826 3.442 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.568 5.143 -0.584 1.00 0.00 H new ATOM 1033 N ILE A 74 13.534 2.749 0.478 1.00 0.00 N ATOM 1034 CA ILE A 74 12.761 2.299 1.628 1.00 0.00 C ATOM 1035 C ILE A 74 13.324 0.999 2.194 1.00 0.00 C ATOM 1036 O ILE A 74 13.422 -0.006 1.490 1.00 0.00 O ATOM 1037 CB ILE A 74 11.280 2.087 1.263 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.636 3.416 0.862 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.531 1.460 2.430 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.242 3.265 0.294 1.00 0.00 C ATOM 0 H ILE A 74 13.428 2.170 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 74 12.832 3.083 2.382 1.00 0.00 H new ATOM 0 HB ILE A 74 11.224 1.406 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.595 4.069 1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.269 3.909 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.486 1.317 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.978 0.496 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.592 2.118 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.848 4.247 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.278 2.639 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.594 2.801 1.038 1.00 0.00 H new ATOM 1052 N SER A 75 13.691 1.027 3.471 1.00 0.00 N ATOM 1053 CA SER A 75 14.247 -0.149 4.132 1.00 0.00 C ATOM 1054 C SER A 75 13.286 -1.330 4.037 1.00 0.00 C ATOM 1055 O SER A 75 12.101 -1.207 4.349 1.00 0.00 O ATOM 1056 CB SER A 75 14.549 0.161 5.599 1.00 0.00 C ATOM 1057 OG SER A 75 15.605 1.098 5.716 1.00 0.00 O ATOM 0 H SER A 75 13.614 1.850 4.069 1.00 0.00 H new ATOM 0 HA SER A 75 15.175 -0.416 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.655 0.554 6.082 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.815 -0.758 6.121 1.00 0.00 H new ATOM 0 HG SER A 75 15.777 1.280 6.663 1.00 0.00 H new ATOM 1063 N ARG A 76 13.805 -2.474 3.604 1.00 0.00 N ATOM 1064 CA ARG A 76 12.995 -3.678 3.467 1.00 0.00 C ATOM 1065 C ARG A 76 12.432 -4.112 4.817 1.00 0.00 C ATOM 1066 O ARG A 76 11.363 -4.717 4.889 1.00 0.00 O ATOM 1067 CB ARG A 76 13.824 -4.811 2.860 1.00 0.00 C ATOM 1068 CG ARG A 76 14.995 -5.241 3.729 1.00 0.00 C ATOM 1069 CD ARG A 76 15.682 -6.476 3.167 1.00 0.00 C ATOM 1070 NE ARG A 76 17.103 -6.512 3.502 1.00 0.00 N ATOM 1071 CZ ARG A 76 17.567 -6.843 4.702 1.00 0.00 C ATOM 1072 NH1 ARG A 76 16.727 -7.166 5.675 1.00 0.00 N ATOM 1073 NH2 ARG A 76 18.874 -6.853 4.929 1.00 0.00 N ATOM 0 H ARG A 76 14.784 -2.592 3.342 1.00 0.00 H new ATOM 0 HA ARG A 76 12.162 -3.450 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.177 -5.671 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.201 -4.494 1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.714 -4.425 3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.643 -5.447 4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.195 -7.370 3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.564 -6.495 2.084 1.00 0.00 H new ATOM 0 HE ARG A 76 17.776 -6.270 2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.722 -7.161 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.086 -7.420 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.523 -6.606 4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.230 -7.107 5.851 1.00 0.00 H new ATOM 1087 N GLU A 77 13.160 -3.798 5.884 1.00 0.00 N ATOM 1088 CA GLU A 77 12.733 -4.156 7.232 1.00 0.00 C ATOM 1089 C GLU A 77 11.537 -3.315 7.666 1.00 0.00 C ATOM 1090 O GLU A 77 10.973 -3.524 8.741 1.00 0.00 O ATOM 1091 CB GLU A 77 13.885 -3.973 8.221 1.00 0.00 C ATOM 1092 CG GLU A 77 14.828 -2.839 7.855 1.00 0.00 C ATOM 1093 CD GLU A 77 15.749 -2.455 8.996 1.00 0.00 C ATOM 1094 OE1 GLU A 77 16.722 -3.196 9.249 1.00 0.00 O ATOM 1095 OE2 GLU A 77 15.497 -1.412 9.636 1.00 0.00 O ATOM 0 H GLU A 77 14.047 -3.297 5.841 1.00 0.00 H new ATOM 0 HA GLU A 77 12.434 -5.204 7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.474 -3.787 9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.453 -4.902 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.427 -3.133 6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.244 -1.969 7.555 1.00 0.00 H new ATOM 1102 N HIS A 78 11.154 -2.361 6.822 1.00 0.00 N ATOM 1103 CA HIS A 78 10.024 -1.487 7.118 1.00 0.00 C ATOM 1104 C HIS A 78 8.816 -1.852 6.261 1.00 0.00 C ATOM 1105 O HIS A 78 8.762 -1.526 5.075 1.00 0.00 O ATOM 1106 CB HIS A 78 10.408 -0.026 6.883 1.00 0.00 C ATOM 1107 CG HIS A 78 11.011 0.636 8.083 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.507 0.486 9.358 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.085 1.452 8.199 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.242 1.184 10.205 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.207 1.779 9.527 1.00 0.00 N ATOM 0 H HIS A 78 11.609 -2.174 5.929 1.00 0.00 H new ATOM 0 HA HIS A 78 9.757 -1.621 8.166 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.116 0.026 6.056 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.521 0.530 6.579 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.694 -0.076 9.608 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.727 1.784 7.396 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.081 1.256 11.271 1.00 0.00 H new ATOM 1120 N SER A 79 7.848 -2.531 6.870 1.00 0.00 N ATOM 1121 CA SER A 79 6.643 -2.945 6.161 1.00 0.00 C ATOM 1122 C SER A 79 5.628 -1.807 6.106 1.00 0.00 C ATOM 1123 O SER A 79 4.445 -2.028 5.847 1.00 0.00 O ATOM 1124 CB SER A 79 6.020 -4.166 6.840 1.00 0.00 C ATOM 1125 OG SER A 79 5.234 -3.784 7.955 1.00 0.00 O ATOM 0 H SER A 79 7.875 -2.806 7.852 1.00 0.00 H new ATOM 0 HA SER A 79 6.924 -3.209 5.141 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.402 -4.708 6.124 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.807 -4.848 7.162 1.00 0.00 H new ATOM 0 HG SER A 79 4.318 -4.111 7.837 1.00 0.00 H new ATOM 1131 N SER A 80 6.100 -0.589 6.353 1.00 0.00 N ATOM 1132 CA SER A 80 5.234 0.584 6.336 1.00 0.00 C ATOM 1133 C SER A 80 6.018 1.833 5.944 1.00 0.00 C ATOM 1134 O SER A 80 7.248 1.849 5.998 1.00 0.00 O ATOM 1135 CB SER A 80 4.585 0.785 7.706 1.00 0.00 C ATOM 1136 OG SER A 80 5.564 0.860 8.728 1.00 0.00 O ATOM 0 H SER A 80 7.077 -0.389 6.567 1.00 0.00 H new ATOM 0 HA SER A 80 4.454 0.418 5.593 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.991 1.699 7.700 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.902 -0.039 7.912 1.00 0.00 H new ATOM 0 HG SER A 80 5.124 0.990 9.594 1.00 0.00 H new ATOM 1142 N TRP A 81 5.298 2.876 5.549 1.00 0.00 N ATOM 1143 CA TRP A 81 5.926 4.130 5.148 1.00 0.00 C ATOM 1144 C TRP A 81 5.007 5.314 5.431 1.00 0.00 C ATOM 1145 O TRP A 81 3.783 5.185 5.394 1.00 0.00 O ATOM 1146 CB TRP A 81 6.285 4.092 3.662 1.00 0.00 C ATOM 1147 CG TRP A 81 7.076 5.282 3.211 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.604 6.376 2.544 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.480 5.496 3.393 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.629 7.257 2.300 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.790 6.741 2.812 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.505 4.758 3.991 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.082 7.261 2.812 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.786 5.276 3.990 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.066 6.518 3.405 1.00 0.00 C ATOM 0 H TRP A 81 4.279 2.879 5.498 1.00 0.00 H new ATOM 0 HA TRP A 81 6.838 4.254 5.732 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.856 3.186 3.457 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.368 4.031 3.076 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.575 6.526 2.251 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.540 8.150 1.816 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.300 3.800 4.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.300 8.217 2.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.586 4.713 4.448 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.078 6.896 3.423 1.00 0.00 H new ATOM 1166 N ASP A 82 5.604 6.466 5.714 1.00 0.00 N ATOM 1167 CA ASP A 82 4.839 7.674 6.003 1.00 0.00 C ATOM 1168 C ASP A 82 4.981 8.690 4.874 1.00 0.00 C ATOM 1169 O ASP A 82 5.965 9.428 4.809 1.00 0.00 O ATOM 1170 CB ASP A 82 5.301 8.292 7.323 1.00 0.00 C ATOM 1171 CG ASP A 82 6.792 8.134 7.547 1.00 0.00 C ATOM 1172 OD1 ASP A 82 7.262 6.979 7.614 1.00 0.00 O ATOM 1173 OD2 ASP A 82 7.488 9.165 7.656 1.00 0.00 O ATOM 0 H ASP A 82 6.616 6.589 5.750 1.00 0.00 H new ATOM 0 HA ASP A 82 3.788 7.397 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.045 9.352 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.761 7.826 8.147 1.00 0.00 H new ATOM 1178 N LEU A 83 3.994 8.721 3.985 1.00 0.00 N ATOM 1179 CA LEU A 83 4.009 9.646 2.857 1.00 0.00 C ATOM 1180 C LEU A 83 3.878 11.088 3.334 1.00 0.00 C ATOM 1181 O LEU A 83 3.158 11.374 4.291 1.00 0.00 O ATOM 1182 CB LEU A 83 2.876 9.313 1.885 1.00 0.00 C ATOM 1183 CG LEU A 83 2.847 7.879 1.353 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.516 7.588 0.677 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.000 7.645 0.388 1.00 0.00 C ATOM 0 H LEU A 83 3.173 8.116 4.023 1.00 0.00 H new ATOM 0 HA LEU A 83 4.964 9.539 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.927 9.514 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.941 9.993 1.036 1.00 0.00 H new ATOM 0 HG LEU A 83 2.960 7.196 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.513 6.564 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.707 7.715 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.372 8.277 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.964 6.620 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.918 8.335 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.946 7.812 0.904 1.00 0.00 H new ATOM 1197 N VAL A 84 4.577 11.995 2.659 1.00 0.00 N ATOM 1198 CA VAL A 84 4.536 13.410 3.012 1.00 0.00 C ATOM 1199 C VAL A 84 4.574 14.288 1.766 1.00 0.00 C ATOM 1200 O VAL A 84 5.433 14.120 0.902 1.00 0.00 O ATOM 1201 CB VAL A 84 5.710 13.793 3.932 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.681 12.964 5.207 1.00 0.00 C ATOM 1203 CG2 VAL A 84 7.035 13.621 3.205 1.00 0.00 C ATOM 0 H VAL A 84 5.178 11.776 1.865 1.00 0.00 H new ATOM 0 HA VAL A 84 3.599 13.577 3.543 1.00 0.00 H new ATOM 0 HB VAL A 84 5.606 14.843 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.518 13.248 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.745 13.142 5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.760 11.906 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.853 13.896 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.150 12.581 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.052 14.262 2.324 1.00 0.00 H new ATOM 1213 N GLY A 85 3.636 15.226 1.681 1.00 0.00 N ATOM 1214 CA GLY A 85 3.580 16.118 0.537 1.00 0.00 C ATOM 1215 C GLY A 85 2.355 15.879 -0.325 1.00 0.00 C ATOM 1216 O GLY A 85 2.459 15.773 -1.547 1.00 0.00 O ATOM 0 H GLY A 85 2.914 15.384 2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.580 17.151 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.477 15.986 -0.067 1.00 0.00 H new ATOM 1220 N LEU A 86 1.193 15.793 0.313 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.057 15.563 -0.403 1.00 0.00 C ATOM 1222 C LEU A 86 -1.067 16.666 -0.102 1.00 0.00 C ATOM 1223 O LEU A 86 -0.836 17.513 0.760 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.642 14.202 -0.024 1.00 0.00 C ATOM 1225 CG LEU A 86 0.365 13.068 0.168 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.269 11.914 0.930 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.897 12.593 -1.176 1.00 0.00 C ATOM 0 H LEU A 86 1.090 15.879 1.324 1.00 0.00 H new ATOM 0 HA LEU A 86 0.157 15.574 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.209 14.317 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.350 13.905 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 86 1.202 13.447 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.463 11.116 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.600 12.262 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.125 11.536 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.612 11.786 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.070 12.232 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.390 13.421 -1.685 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.188 16.646 -0.817 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.233 17.644 -0.625 1.00 0.00 C ATOM 1241 C GLU A 87 -4.057 17.336 0.623 1.00 0.00 C ATOM 1242 O GLU A 87 -4.084 16.200 1.097 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.147 17.701 -1.851 1.00 0.00 C ATOM 1244 CG GLU A 87 -4.892 19.017 -1.994 1.00 0.00 C ATOM 1245 CD GLU A 87 -3.959 20.202 -2.147 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.409 20.385 -3.254 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -3.778 20.946 -1.161 1.00 0.00 O ATOM 0 H GLU A 87 -2.395 15.950 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.753 18.614 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.550 17.532 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.871 16.888 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.552 18.964 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.525 19.168 -1.120 1.00 0.00 H new ATOM 1254 N LYS A 88 -4.726 18.355 1.149 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.551 18.196 2.341 1.00 0.00 C ATOM 1256 C LYS A 88 -7.008 17.946 1.964 1.00 0.00 C ATOM 1257 O LYS A 88 -7.510 18.500 0.986 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.449 19.439 3.228 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.024 19.790 3.620 1.00 0.00 C ATOM 1260 CD LYS A 88 -3.888 21.262 3.969 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.549 22.096 2.743 1.00 0.00 C ATOM 1262 NZ LYS A 88 -4.770 22.498 1.990 1.00 0.00 N ATOM 0 H LYS A 88 -4.713 19.301 0.769 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.183 17.332 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.892 20.286 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.037 19.280 4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.721 19.183 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.349 19.546 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.819 21.620 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.111 21.388 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.002 22.987 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.889 21.527 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.565 23.346 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.060 21.723 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.538 22.706 2.660 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.682 17.110 2.747 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.082 16.789 2.495 1.00 0.00 C ATOM 1278 C TRP A 89 -9.280 16.303 1.064 1.00 0.00 C ATOM 1279 O TRP A 89 -10.132 16.814 0.336 1.00 0.00 O ATOM 1280 CB TRP A 89 -9.962 18.012 2.758 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.337 17.661 3.241 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.689 16.579 3.996 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.543 18.395 3.001 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.042 16.595 4.239 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.588 17.699 3.640 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -12.841 19.572 2.310 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -14.907 18.144 3.606 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.151 20.011 2.277 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.170 19.299 2.922 1.00 0.00 C ATOM 0 H TRP A 89 -7.282 16.643 3.561 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.373 15.988 3.174 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.476 18.648 3.498 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.045 18.595 1.841 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.005 15.822 4.350 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.556 15.898 4.778 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.062 20.129 1.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.695 17.596 4.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.393 20.919 1.745 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.184 19.669 2.878 1.00 0.00 H new ATOM 1300 N THR A 90 -8.489 15.311 0.665 1.00 0.00 N ATOM 1301 CA THR A 90 -8.578 14.757 -0.680 1.00 0.00 C ATOM 1302 C THR A 90 -8.159 13.291 -0.699 1.00 0.00 C ATOM 1303 O THR A 90 -7.195 12.904 -0.040 1.00 0.00 O ATOM 1304 CB THR A 90 -7.700 15.543 -1.671 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.190 16.882 -1.804 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.681 14.867 -3.033 1.00 0.00 C ATOM 0 H THR A 90 -7.780 14.875 1.255 1.00 0.00 H new ATOM 0 HA THR A 90 -9.621 14.838 -0.987 1.00 0.00 H new ATOM 0 HB THR A 90 -6.682 15.566 -1.281 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.625 17.376 -2.435 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.054 15.441 -3.715 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.280 13.859 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.696 14.816 -3.428 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.888 12.482 -1.460 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.590 11.058 -1.564 1.00 0.00 C ATOM 1316 C GLU A 91 -7.329 10.825 -2.391 1.00 0.00 C ATOM 1317 O GLU A 91 -7.045 11.566 -3.332 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.770 10.312 -2.192 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.795 8.828 -1.864 1.00 0.00 C ATOM 1320 CD GLU A 91 -11.167 8.212 -2.059 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -12.009 8.337 -1.146 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.397 7.604 -3.125 1.00 0.00 O ATOM 0 H GLU A 91 -9.689 12.787 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.420 10.674 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.700 10.767 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.733 10.436 -3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.074 8.308 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.479 8.682 -0.831 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.576 9.791 -2.032 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.344 9.462 -2.737 1.00 0.00 C ATOM 1331 C TYR A 92 -5.170 7.951 -2.854 1.00 0.00 C ATOM 1332 O TYR A 92 -5.317 7.220 -1.874 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.140 10.070 -2.016 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.858 11.502 -2.410 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -4.488 12.559 -1.763 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -2.963 11.800 -3.430 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -4.234 13.869 -2.120 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -2.702 13.107 -3.793 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.340 14.138 -3.136 1.00 0.00 C ATOM 1340 OH TYR A 92 -3.084 15.441 -3.495 1.00 0.00 O ATOM 0 H TYR A 92 -6.798 9.167 -1.257 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.408 9.882 -3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.310 10.025 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.258 9.464 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.188 12.352 -0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.462 10.996 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.732 14.678 -1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.002 13.320 -4.587 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.431 15.457 -4.225 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.856 7.489 -4.060 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.663 6.065 -4.307 1.00 0.00 C ATOM 1352 C ARG A 93 -3.203 5.672 -4.103 1.00 0.00 C ATOM 1353 O ARG A 93 -2.335 6.026 -4.901 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.104 5.708 -5.728 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.613 5.714 -5.916 1.00 0.00 C ATOM 1356 CD ARG A 93 -6.996 5.387 -7.351 1.00 0.00 C ATOM 1357 NE ARG A 93 -6.311 6.250 -8.310 1.00 0.00 N ATOM 1358 CZ ARG A 93 -6.290 6.022 -9.619 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -6.912 4.965 -10.121 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -5.645 6.853 -10.427 1.00 0.00 N ATOM 0 H ARG A 93 -4.730 8.080 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.274 5.512 -3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.656 6.415 -6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.718 4.721 -5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.068 4.988 -5.242 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.011 6.692 -5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.754 4.346 -7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.074 5.494 -7.472 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.822 7.072 -7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.409 4.324 -9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.894 4.793 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.165 7.667 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.629 6.678 -11.432 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.939 4.937 -3.027 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.584 4.494 -2.717 1.00 0.00 C ATOM 1376 C VAL A 94 -1.352 3.063 -3.189 1.00 0.00 C ATOM 1377 O VAL A 94 -2.203 2.192 -3.004 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.298 4.577 -1.206 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.089 4.038 -0.894 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.446 6.010 -0.714 1.00 0.00 C ATOM 0 H VAL A 94 -3.645 4.636 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.904 5.163 -3.245 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.027 3.960 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.273 4.105 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.154 2.996 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.836 4.626 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.240 6.050 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.741 6.651 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.463 6.356 -0.901 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.197 2.828 -3.799 1.00 0.00 N ATOM 1391 CA TRP A 95 0.148 1.501 -4.298 1.00 0.00 C ATOM 1392 C TRP A 95 1.497 1.047 -3.752 1.00 0.00 C ATOM 1393 O TRP A 95 2.539 1.597 -4.110 1.00 0.00 O ATOM 1394 CB TRP A 95 0.176 1.500 -5.827 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.150 1.823 -6.446 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.176 0.954 -6.688 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.592 3.106 -6.903 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.229 1.620 -7.268 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.896 2.941 -7.409 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.015 4.378 -6.931 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.629 4.000 -7.938 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.743 5.429 -7.457 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.039 5.235 -7.954 1.00 0.00 C ATOM 0 H TRP A 95 0.517 3.538 -3.960 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.615 0.802 -3.955 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.915 2.224 -6.170 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.503 0.521 -6.177 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.162 -0.101 -6.457 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.115 1.199 -7.548 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.018 4.538 -6.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.628 3.852 -8.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.306 6.416 -7.485 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.583 6.076 -8.357 1.00 0.00 H new ATOM 1414 N VAL A 96 1.471 0.041 -2.883 1.00 0.00 N ATOM 1415 CA VAL A 96 2.694 -0.487 -2.288 1.00 0.00 C ATOM 1416 C VAL A 96 2.970 -1.906 -2.770 1.00 0.00 C ATOM 1417 O VAL A 96 2.097 -2.773 -2.712 1.00 0.00 O ATOM 1418 CB VAL A 96 2.616 -0.484 -0.750 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.398 -1.261 -0.275 1.00 0.00 C ATOM 1420 CG2 VAL A 96 3.891 -1.058 -0.152 1.00 0.00 C ATOM 0 H VAL A 96 0.617 -0.425 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 96 3.508 0.165 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 96 2.514 0.547 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.360 -1.248 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.494 -0.801 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.465 -2.292 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.819 -1.048 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.026 -2.083 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.743 -0.455 -0.465 1.00 0.00 H new ATOM 1430 N ARG A 97 4.190 -2.137 -3.244 1.00 0.00 N ATOM 1431 CA ARG A 97 4.581 -3.453 -3.737 1.00 0.00 C ATOM 1432 C ARG A 97 5.970 -3.831 -3.231 1.00 0.00 C ATOM 1433 O ARG A 97 6.674 -3.009 -2.645 1.00 0.00 O ATOM 1434 CB ARG A 97 4.560 -3.475 -5.266 1.00 0.00 C ATOM 1435 CG ARG A 97 5.438 -2.410 -5.903 1.00 0.00 C ATOM 1436 CD ARG A 97 4.944 -2.040 -7.293 1.00 0.00 C ATOM 1437 NE ARG A 97 5.991 -1.414 -8.097 1.00 0.00 N ATOM 1438 CZ ARG A 97 5.746 -0.609 -9.124 1.00 0.00 C ATOM 1439 NH1 ARG A 97 4.497 -0.332 -9.471 1.00 0.00 N ATOM 1440 NH2 ARG A 97 6.753 -0.078 -9.807 1.00 0.00 N ATOM 0 H ARG A 97 4.924 -1.431 -3.297 1.00 0.00 H new ATOM 0 HA ARG A 97 3.864 -4.183 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.886 -4.456 -5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.534 -3.341 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.451 -1.522 -5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.464 -2.772 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.584 -2.935 -7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.097 -1.360 -7.208 1.00 0.00 H new ATOM 0 HE ARG A 97 6.963 -1.606 -7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.721 -0.738 -8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.312 0.287 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.715 -0.288 -9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.564 0.540 -10.596 1.00 0.00 H new ATOM 1454 N ALA A 98 6.358 -5.081 -3.462 1.00 0.00 N ATOM 1455 CA ALA A 98 7.663 -5.568 -3.031 1.00 0.00 C ATOM 1456 C ALA A 98 8.574 -5.825 -4.227 1.00 0.00 C ATOM 1457 O ALA A 98 8.137 -6.347 -5.252 1.00 0.00 O ATOM 1458 CB ALA A 98 7.507 -6.834 -2.202 1.00 0.00 C ATOM 0 H ALA A 98 5.787 -5.775 -3.945 1.00 0.00 H new ATOM 0 HA ALA A 98 8.125 -4.798 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.489 -7.186 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.899 -6.621 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.021 -7.604 -2.801 1.00 0.00 H new ATOM 1464 N HIS A 99 9.844 -5.455 -4.088 1.00 0.00 N ATOM 1465 CA HIS A 99 10.817 -5.646 -5.157 1.00 0.00 C ATOM 1466 C HIS A 99 11.849 -6.700 -4.770 1.00 0.00 C ATOM 1467 O HIS A 99 12.319 -6.737 -3.632 1.00 0.00 O ATOM 1468 CB HIS A 99 11.516 -4.325 -5.481 1.00 0.00 C ATOM 1469 CG HIS A 99 10.627 -3.326 -6.155 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.472 -2.838 -5.580 1.00 0.00 N ATOM 1471 CD2 HIS A 99 10.730 -2.721 -7.361 1.00 0.00 C ATOM 1472 CE1 HIS A 99 8.902 -1.978 -6.405 1.00 0.00 C ATOM 1473 NE2 HIS A 99 9.646 -1.889 -7.493 1.00 0.00 N ATOM 0 H HIS A 99 10.222 -5.022 -3.246 1.00 0.00 H new ATOM 0 HA HIS A 99 10.284 -5.993 -6.042 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.901 -3.892 -4.558 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.375 -4.526 -6.122 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.518 -2.866 -8.085 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.984 -1.439 -6.221 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.447 -1.298 -8.300 1.00 0.00 H new ATOM 1482 N THR A 100 12.199 -7.558 -5.724 1.00 0.00 N ATOM 1483 CA THR A 100 13.174 -8.614 -5.482 1.00 0.00 C ATOM 1484 C THR A 100 14.485 -8.328 -6.205 1.00 0.00 C ATOM 1485 O THR A 100 14.533 -7.509 -7.124 1.00 0.00 O ATOM 1486 CB THR A 100 12.640 -9.986 -5.935 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.972 -9.860 -7.196 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.681 -10.561 -4.903 1.00 0.00 C ATOM 0 H THR A 100 11.821 -7.542 -6.671 1.00 0.00 H new ATOM 0 HA THR A 100 13.353 -8.639 -4.407 1.00 0.00 H new ATOM 0 HB THR A 100 13.487 -10.664 -6.039 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.744 -10.750 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.317 -11.530 -5.245 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.200 -10.683 -3.952 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.838 -9.882 -4.772 1.00 0.00 H new ATOM 1496 N ASP A 101 15.547 -9.007 -5.786 1.00 0.00 N ATOM 1497 CA ASP A 101 16.859 -8.827 -6.396 1.00 0.00 C ATOM 1498 C ASP A 101 16.789 -9.031 -7.906 1.00 0.00 C ATOM 1499 O ASP A 101 17.521 -8.394 -8.664 1.00 0.00 O ATOM 1500 CB ASP A 101 17.867 -9.801 -5.784 1.00 0.00 C ATOM 1501 CG ASP A 101 19.299 -9.327 -5.942 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.614 -8.735 -6.994 1.00 0.00 O ATOM 1503 OD2 ASP A 101 20.104 -9.550 -5.013 1.00 0.00 O ATOM 0 H ASP A 101 15.525 -9.687 -5.026 1.00 0.00 H new ATOM 0 HA ASP A 101 17.186 -7.806 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.645 -9.931 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.756 -10.778 -6.255 1.00 0.00 H new ATOM 1508 N VAL A 102 15.905 -9.925 -8.338 1.00 0.00 N ATOM 1509 CA VAL A 102 15.739 -10.213 -9.757 1.00 0.00 C ATOM 1510 C VAL A 102 15.037 -9.065 -10.473 1.00 0.00 C ATOM 1511 O VAL A 102 15.193 -8.884 -11.680 1.00 0.00 O ATOM 1512 CB VAL A 102 14.936 -11.509 -9.977 1.00 0.00 C ATOM 1513 CG1 VAL A 102 15.852 -12.721 -9.927 1.00 0.00 C ATOM 1514 CG2 VAL A 102 13.825 -11.627 -8.944 1.00 0.00 C ATOM 0 H VAL A 102 15.292 -10.462 -7.725 1.00 0.00 H new ATOM 0 HA VAL A 102 16.739 -10.339 -10.173 1.00 0.00 H new ATOM 0 HB VAL A 102 14.480 -11.470 -10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 102 15.266 -13.627 -10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 102 16.608 -12.638 -10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 102 16.339 -12.769 -8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 102 13.267 -12.548 -9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.258 -11.644 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.153 -10.774 -9.034 1.00 0.00 H new ATOM 1524 N GLY A 103 14.263 -8.290 -9.719 1.00 0.00 N ATOM 1525 CA GLY A 103 13.549 -7.167 -10.298 1.00 0.00 C ATOM 1526 C GLY A 103 12.294 -6.816 -9.523 1.00 0.00 C ATOM 1527 O GLY A 103 11.997 -7.403 -8.482 1.00 0.00 O ATOM 0 H GLY A 103 14.118 -8.420 -8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.208 -6.299 -10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.282 -7.402 -11.328 1.00 0.00 H new ATOM 1531 N PRO A 104 11.533 -5.836 -10.033 1.00 0.00 N ATOM 1532 CA PRO A 104 10.292 -5.385 -9.397 1.00 0.00 C ATOM 1533 C PRO A 104 9.182 -6.427 -9.488 1.00 0.00 C ATOM 1534 O PRO A 104 9.422 -7.571 -9.872 1.00 0.00 O ATOM 1535 CB PRO A 104 9.918 -4.135 -10.197 1.00 0.00 C ATOM 1536 CG PRO A 104 10.556 -4.332 -11.528 1.00 0.00 C ATOM 1537 CD PRO A 104 11.826 -5.094 -11.271 1.00 0.00 C ATOM 0 HA PRO A 104 10.424 -5.202 -8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.837 -4.032 -10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.285 -3.230 -9.712 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.898 -4.885 -12.198 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.765 -3.375 -12.006 1.00 0.00 H new ATOM 0 HD2 PRO A 104 12.065 -5.766 -12.095 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.678 -4.425 -11.147 1.00 0.00 H new ATOM 1545 N GLY A 105 7.967 -6.023 -9.131 1.00 0.00 N ATOM 1546 CA GLY A 105 6.838 -6.934 -9.180 1.00 0.00 C ATOM 1547 C GLY A 105 5.519 -6.213 -9.368 1.00 0.00 C ATOM 1548 O GLY A 105 5.476 -5.013 -9.637 1.00 0.00 O ATOM 0 H GLY A 105 7.744 -5.081 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.981 -7.642 -9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.803 -7.514 -8.258 1.00 0.00 H new ATOM 1552 N PRO A 106 4.409 -6.954 -9.227 1.00 0.00 N ATOM 1553 CA PRO A 106 3.062 -6.399 -9.380 1.00 0.00 C ATOM 1554 C PRO A 106 2.692 -5.452 -8.243 1.00 0.00 C ATOM 1555 O PRO A 106 3.415 -5.344 -7.253 1.00 0.00 O ATOM 1556 CB PRO A 106 2.163 -7.637 -9.358 1.00 0.00 C ATOM 1557 CG PRO A 106 2.939 -8.655 -8.594 1.00 0.00 C ATOM 1558 CD PRO A 106 4.386 -8.391 -8.906 1.00 0.00 C ATOM 0 HA PRO A 106 2.968 -5.803 -10.288 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.208 -7.424 -8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.942 -7.984 -10.367 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.748 -8.569 -7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.654 -9.665 -8.889 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.029 -8.623 -8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.733 -8.996 -9.744 1.00 0.00 H new ATOM 1566 N GLU A 107 1.562 -4.768 -8.392 1.00 0.00 N ATOM 1567 CA GLU A 107 1.098 -3.830 -7.377 1.00 0.00 C ATOM 1568 C GLU A 107 0.090 -4.494 -6.443 1.00 0.00 C ATOM 1569 O GLU A 107 -0.320 -5.633 -6.664 1.00 0.00 O ATOM 1570 CB GLU A 107 0.466 -2.602 -8.036 1.00 0.00 C ATOM 1571 CG GLU A 107 -0.969 -2.821 -8.483 1.00 0.00 C ATOM 1572 CD GLU A 107 -1.142 -4.095 -9.287 1.00 0.00 C ATOM 1573 OE1 GLU A 107 -0.528 -4.200 -10.370 1.00 0.00 O ATOM 1574 OE2 GLU A 107 -1.890 -4.986 -8.834 1.00 0.00 O ATOM 0 H GLU A 107 0.951 -4.846 -9.205 1.00 0.00 H new ATOM 0 HA GLU A 107 1.960 -3.515 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.496 -1.768 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.066 -2.314 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.617 -2.858 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.292 -1.970 -9.083 1.00 0.00 H new ATOM 1581 N SER A 108 -0.304 -3.773 -5.398 1.00 0.00 N ATOM 1582 CA SER A 108 -1.261 -4.292 -4.428 1.00 0.00 C ATOM 1583 C SER A 108 -2.587 -3.544 -4.518 1.00 0.00 C ATOM 1584 O SER A 108 -2.769 -2.681 -5.377 1.00 0.00 O ATOM 1585 CB SER A 108 -0.694 -4.180 -3.011 1.00 0.00 C ATOM 1586 OG SER A 108 -0.943 -2.897 -2.463 1.00 0.00 O ATOM 0 H SER A 108 0.025 -2.828 -5.202 1.00 0.00 H new ATOM 0 HA SER A 108 -1.441 -5.342 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.142 -4.944 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.379 -4.369 -3.029 1.00 0.00 H new ATOM 0 HG SER A 108 -0.093 -2.425 -2.335 1.00 0.00 H new ATOM 1592 N SER A 109 -3.512 -3.882 -3.624 1.00 0.00 N ATOM 1593 CA SER A 109 -4.824 -3.246 -3.604 1.00 0.00 C ATOM 1594 C SER A 109 -4.725 -1.813 -3.089 1.00 0.00 C ATOM 1595 O SER A 109 -4.287 -1.559 -1.966 1.00 0.00 O ATOM 1596 CB SER A 109 -5.790 -4.049 -2.731 1.00 0.00 C ATOM 1597 OG SER A 109 -6.536 -4.968 -3.509 1.00 0.00 O ATOM 0 H SER A 109 -3.377 -4.592 -2.905 1.00 0.00 H new ATOM 0 HA SER A 109 -5.204 -3.221 -4.625 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.232 -4.586 -1.964 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.469 -3.370 -2.214 1.00 0.00 H new ATOM 0 HG SER A 109 -7.145 -5.470 -2.928 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.141 -0.853 -3.928 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.111 0.570 -3.579 1.00 0.00 C ATOM 1605 C PRO A 110 -6.135 0.927 -2.507 1.00 0.00 C ATOM 1606 O PRO A 110 -7.326 0.656 -2.658 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.454 1.266 -4.899 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.236 0.257 -5.667 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.675 -1.084 -5.281 1.00 0.00 C ATOM 0 HA PRO A 110 -4.149 0.867 -3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.036 2.172 -4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.553 1.561 -5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.297 0.320 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.142 0.425 -6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.444 -1.857 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.896 -1.407 -5.971 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.663 1.537 -1.424 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.538 1.932 -0.327 1.00 0.00 C ATOM 1619 C VAL A 111 -6.909 3.408 -0.425 1.00 0.00 C ATOM 1620 O VAL A 111 -6.037 4.276 -0.472 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.879 1.669 1.040 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.783 2.139 2.168 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.543 0.193 1.194 1.00 0.00 C ATOM 0 H VAL A 111 -4.680 1.768 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.441 1.327 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.950 2.237 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.300 1.945 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.968 3.208 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.730 1.601 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.078 0.025 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.456 -0.398 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.854 -0.107 0.405 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.208 3.684 -0.454 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.696 5.056 -0.545 1.00 0.00 C ATOM 1635 C LEU A 112 -8.723 5.717 0.830 1.00 0.00 C ATOM 1636 O LEU A 112 -9.463 5.294 1.719 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.095 5.081 -1.163 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.272 4.281 -2.454 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.690 4.430 -2.984 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.260 4.725 -3.500 1.00 0.00 C ATOM 0 H LEU A 112 -8.942 2.977 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.013 5.616 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.803 4.704 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.364 6.118 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.097 3.228 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.797 3.854 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.397 4.062 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.893 5.481 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.401 4.145 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.402 5.784 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.251 4.565 -3.121 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.914 6.758 0.997 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.848 7.480 2.262 1.00 0.00 C ATOM 1654 C VAL A 113 -8.113 8.967 2.061 1.00 0.00 C ATOM 1655 O VAL A 113 -7.540 9.595 1.170 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.476 7.301 2.939 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.287 5.861 3.392 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.358 7.724 1.997 1.00 0.00 C ATOM 0 H VAL A 113 -7.295 7.120 0.272 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.621 7.061 2.906 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.439 7.941 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.312 5.754 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.069 5.598 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.344 5.198 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.396 7.591 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.391 7.112 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.486 8.773 1.728 1.00 0.00 H new ATOM 1668 N ARG A 114 -8.985 9.525 2.894 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.327 10.940 2.807 1.00 0.00 C ATOM 1670 C ARG A 114 -8.620 11.738 3.898 1.00 0.00 C ATOM 1671 O ARG A 114 -8.989 11.671 5.071 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.841 11.128 2.923 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.266 12.582 3.050 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.754 12.704 3.337 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.563 12.479 2.141 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.818 12.895 2.014 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -15.405 13.554 3.003 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -15.488 12.653 0.895 1.00 0.00 N ATOM 0 H ARG A 114 -9.468 9.019 3.637 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.995 11.310 1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.321 10.693 2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.202 10.576 3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.700 13.059 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.027 13.114 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -13.035 11.984 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.966 13.696 3.737 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.141 11.975 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.893 13.743 3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -16.369 13.872 2.902 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.039 12.147 0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -16.452 12.973 0.798 1.00 0.00 H new ATOM 1692 N THR A 115 -7.600 12.495 3.504 1.00 0.00 N ATOM 1693 CA THR A 115 -6.840 13.304 4.447 1.00 0.00 C ATOM 1694 C THR A 115 -7.763 14.169 5.298 1.00 0.00 C ATOM 1695 O THR A 115 -8.910 14.420 4.928 1.00 0.00 O ATOM 1696 CB THR A 115 -5.829 14.213 3.721 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.348 14.600 2.444 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.497 13.502 3.538 1.00 0.00 C ATOM 0 H THR A 115 -7.282 12.564 2.537 1.00 0.00 H new ATOM 0 HA THR A 115 -6.298 12.612 5.091 1.00 0.00 H new ATOM 0 HB THR A 115 -5.668 15.101 4.332 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.631 14.571 1.777 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.799 14.163 3.023 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.091 13.234 4.513 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.645 12.599 2.946 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.255 14.623 6.439 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.034 15.461 7.343 1.00 0.00 C ATOM 1708 C ASP A 116 -8.423 16.773 6.667 1.00 0.00 C ATOM 1709 O ASP A 116 -7.717 17.260 5.785 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.242 15.746 8.619 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.445 14.680 9.677 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -6.901 13.568 9.511 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -8.149 14.956 10.671 1.00 0.00 O ATOM 0 H ASP A 116 -6.307 14.425 6.760 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.945 14.922 7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.182 15.816 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.542 16.714 9.021 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.551 17.338 7.087 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.033 18.591 6.520 1.00 0.00 C ATOM 1720 C GLU A 117 -9.476 19.786 7.289 1.00 0.00 C ATOM 1721 O GLU A 117 -9.212 19.698 8.488 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.563 18.629 6.537 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.144 19.185 7.826 1.00 0.00 C ATOM 1724 CD GLU A 117 -11.924 18.264 9.010 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -10.750 18.014 9.357 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -12.925 17.792 9.590 1.00 0.00 O ATOM 0 H GLU A 117 -10.147 16.948 7.817 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.686 18.650 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.912 19.234 5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.945 17.620 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.692 20.154 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.213 19.354 7.695 1.00 0.00 H new ATOM 1733 N ASP A 118 -9.299 20.901 6.589 1.00 0.00 N ATOM 1734 CA ASP A 118 -8.773 22.115 7.205 1.00 0.00 C ATOM 1735 C ASP A 118 -9.893 22.928 7.846 1.00 0.00 C ATOM 1736 O ASP A 118 -9.743 23.445 8.953 1.00 0.00 O ATOM 1737 CB ASP A 118 -8.040 22.963 6.164 1.00 0.00 C ATOM 1738 CG ASP A 118 -7.204 24.059 6.796 1.00 0.00 C ATOM 1739 OD1 ASP A 118 -6.765 23.879 7.951 1.00 0.00 O ATOM 1740 OD2 ASP A 118 -6.988 25.096 6.134 1.00 0.00 O ATOM 0 H ASP A 118 -9.512 20.990 5.595 1.00 0.00 H new ATOM 0 HA ASP A 118 -8.070 21.823 7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -7.397 22.320 5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -8.767 23.410 5.486 1.00 0.00 H new ATOM 1745 N VAL A 119 -11.015 23.038 7.142 1.00 0.00 N ATOM 1746 CA VAL A 119 -12.161 23.789 7.642 1.00 0.00 C ATOM 1747 C VAL A 119 -12.858 23.039 8.772 1.00 0.00 C ATOM 1748 O VAL A 119 -12.947 21.811 8.774 1.00 0.00 O ATOM 1749 CB VAL A 119 -13.180 24.070 6.522 1.00 0.00 C ATOM 1750 CG1 VAL A 119 -12.506 24.769 5.351 1.00 0.00 C ATOM 1751 CG2 VAL A 119 -13.845 22.779 6.071 1.00 0.00 C ATOM 0 H VAL A 119 -11.155 22.617 6.224 1.00 0.00 H new ATOM 0 HA VAL A 119 -11.778 24.737 8.020 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.952 24.732 6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.241 24.960 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.081 25.714 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -11.713 24.134 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.562 22.996 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -13.087 22.091 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.363 22.323 6.914 1.00 0.00 H new ATOM 1761 N PRO A 120 -13.366 23.794 9.757 1.00 0.00 N ATOM 1762 CA PRO A 120 -14.065 23.222 10.912 1.00 0.00 C ATOM 1763 C PRO A 120 -15.419 22.631 10.534 1.00 0.00 C ATOM 1764 O PRO A 120 -16.171 22.177 11.397 1.00 0.00 O ATOM 1765 CB PRO A 120 -14.248 24.421 11.846 1.00 0.00 C ATOM 1766 CG PRO A 120 -14.233 25.608 10.945 1.00 0.00 C ATOM 1767 CD PRO A 120 -13.296 25.263 9.821 1.00 0.00 C ATOM 0 HA PRO A 120 -13.508 22.398 11.358 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -15.186 24.354 12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -13.448 24.474 12.584 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -15.232 25.824 10.567 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -13.894 26.497 11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -13.608 25.721 8.883 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -12.282 25.609 10.023 1.00 0.00 H new ATOM 1775 N SER A 121 -15.723 22.638 9.240 1.00 0.00 N ATOM 1776 CA SER A 121 -16.988 22.105 8.749 1.00 0.00 C ATOM 1777 C SER A 121 -16.922 20.587 8.612 1.00 0.00 C ATOM 1778 O SER A 121 -15.890 20.031 8.239 1.00 0.00 O ATOM 1779 CB SER A 121 -17.342 22.735 7.401 1.00 0.00 C ATOM 1780 OG SER A 121 -18.746 22.803 7.223 1.00 0.00 O ATOM 0 H SER A 121 -15.110 23.007 8.513 1.00 0.00 H new ATOM 0 HA SER A 121 -17.764 22.353 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 121 -16.916 23.736 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 121 -16.898 22.151 6.595 1.00 0.00 H new ATOM 0 HG SER A 121 -18.946 23.211 6.355 1.00 0.00 H new ATOM 1786 N GLY A 122 -18.032 19.922 8.919 1.00 0.00 N ATOM 1787 CA GLY A 122 -18.079 18.474 8.824 1.00 0.00 C ATOM 1788 C GLY A 122 -18.887 17.847 9.943 1.00 0.00 C ATOM 1789 O GLY A 122 -18.861 18.300 11.087 1.00 0.00 O ATOM 0 H GLY A 122 -18.899 20.360 9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -18.511 18.189 7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -17.064 18.078 8.847 1.00 0.00 H new ATOM 1793 N PRO A 123 -19.629 16.778 9.614 1.00 0.00 N ATOM 1794 CA PRO A 123 -20.463 16.065 10.586 1.00 0.00 C ATOM 1795 C PRO A 123 -19.634 15.298 11.610 1.00 0.00 C ATOM 1796 O PRO A 123 -18.605 14.702 11.291 1.00 0.00 O ATOM 1797 CB PRO A 123 -21.270 15.096 9.717 1.00 0.00 C ATOM 1798 CG PRO A 123 -20.430 14.885 8.506 1.00 0.00 C ATOM 1799 CD PRO A 123 -19.708 16.183 8.270 1.00 0.00 C ATOM 0 HA PRO A 123 -21.078 16.747 11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -21.456 14.157 10.239 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -22.243 15.514 9.456 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -19.724 14.068 8.658 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -21.045 14.619 7.646 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -18.718 16.021 7.844 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -20.252 16.825 7.577 1.00 0.00 H new ATOM 1807 N PRO A 124 -20.090 15.311 12.871 1.00 0.00 N ATOM 1808 CA PRO A 124 -19.405 14.620 13.968 1.00 0.00 C ATOM 1809 C PRO A 124 -19.499 13.103 13.846 1.00 0.00 C ATOM 1810 O PRO A 124 -19.201 12.375 14.793 1.00 0.00 O ATOM 1811 CB PRO A 124 -20.153 15.104 15.213 1.00 0.00 C ATOM 1812 CG PRO A 124 -21.507 15.479 14.720 1.00 0.00 C ATOM 1813 CD PRO A 124 -21.310 16.001 13.324 1.00 0.00 C ATOM 0 HA PRO A 124 -18.337 14.838 13.984 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -20.210 14.321 15.970 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -19.649 15.955 15.672 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -22.176 14.618 14.724 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -21.959 16.237 15.360 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -22.163 15.771 12.685 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -21.187 17.084 13.314 1.00 0.00 H new ATOM 1821 N ARG A 125 -19.915 12.633 12.674 1.00 0.00 N ATOM 1822 CA ARG A 125 -20.049 11.202 12.429 1.00 0.00 C ATOM 1823 C ARG A 125 -18.691 10.571 12.136 1.00 0.00 C ATOM 1824 O ARG A 125 -17.807 11.211 11.564 1.00 0.00 O ATOM 1825 CB ARG A 125 -21.003 10.950 11.261 1.00 0.00 C ATOM 1826 CG ARG A 125 -22.472 11.046 11.642 1.00 0.00 C ATOM 1827 CD ARG A 125 -23.359 11.177 10.413 1.00 0.00 C ATOM 1828 NE ARG A 125 -24.723 11.563 10.762 1.00 0.00 N ATOM 1829 CZ ARG A 125 -25.671 11.803 9.863 1.00 0.00 C ATOM 1830 NH1 ARG A 125 -25.405 11.696 8.569 1.00 0.00 N ATOM 1831 NH2 ARG A 125 -26.890 12.150 10.259 1.00 0.00 N ATOM 0 H ARG A 125 -20.165 13.222 11.880 1.00 0.00 H new ATOM 0 HA ARG A 125 -20.458 10.742 13.329 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -20.794 11.670 10.470 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -20.807 9.960 10.850 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -22.761 10.160 12.208 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -22.624 11.905 12.295 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -22.934 11.919 9.737 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -23.377 10.229 9.876 1.00 0.00 H new ATOM 0 HE ARG A 125 -24.961 11.653 11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -24.470 11.429 8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -26.135 11.881 7.881 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -27.099 12.232 11.254 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -27.618 12.334 9.568 1.00 0.00 H new ATOM 1845 N LYS A 126 -18.531 9.313 12.531 1.00 0.00 N ATOM 1846 CA LYS A 126 -17.282 8.594 12.311 1.00 0.00 C ATOM 1847 C LYS A 126 -17.483 7.091 12.474 1.00 0.00 C ATOM 1848 O LYS A 126 -18.437 6.648 13.114 1.00 0.00 O ATOM 1849 CB LYS A 126 -16.208 9.085 13.285 1.00 0.00 C ATOM 1850 CG LYS A 126 -14.802 8.650 12.910 1.00 0.00 C ATOM 1851 CD LYS A 126 -13.752 9.535 13.562 1.00 0.00 C ATOM 1852 CE LYS A 126 -13.553 9.176 15.026 1.00 0.00 C ATOM 1853 NZ LYS A 126 -12.886 7.854 15.188 1.00 0.00 N ATOM 0 H LYS A 126 -19.252 8.769 13.006 1.00 0.00 H new ATOM 0 HA LYS A 126 -16.954 8.790 11.290 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.242 10.173 13.332 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.439 8.716 14.284 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -14.647 7.615 13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -14.686 8.684 11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -12.807 9.433 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -14.053 10.579 13.480 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -12.954 9.947 15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -14.519 9.159 15.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -12.496 7.777 16.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -13.579 7.094 15.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -12.116 7.766 14.494 1.00 0.00 H new ATOM 1867 N VAL A 127 -16.577 6.311 11.893 1.00 0.00 N ATOM 1868 CA VAL A 127 -16.653 4.857 11.977 1.00 0.00 C ATOM 1869 C VAL A 127 -15.702 4.317 13.039 1.00 0.00 C ATOM 1870 O VAL A 127 -14.677 4.929 13.336 1.00 0.00 O ATOM 1871 CB VAL A 127 -16.323 4.199 10.624 1.00 0.00 C ATOM 1872 CG1 VAL A 127 -14.848 4.370 10.293 1.00 0.00 C ATOM 1873 CG2 VAL A 127 -16.707 2.727 10.641 1.00 0.00 C ATOM 0 H VAL A 127 -15.782 6.662 11.359 1.00 0.00 H new ATOM 0 HA VAL A 127 -17.678 4.609 12.253 1.00 0.00 H new ATOM 0 HB VAL A 127 -16.905 4.694 9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -14.633 3.899 9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -14.608 5.432 10.237 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -14.244 3.902 11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -16.467 2.277 9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -16.153 2.216 11.428 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -17.776 2.632 10.830 1.00 0.00 H new ATOM 1883 N GLU A 128 -16.049 3.166 13.606 1.00 0.00 N ATOM 1884 CA GLU A 128 -15.225 2.543 14.636 1.00 0.00 C ATOM 1885 C GLU A 128 -15.082 1.045 14.386 1.00 0.00 C ATOM 1886 O GLU A 128 -15.963 0.416 13.800 1.00 0.00 O ATOM 1887 CB GLU A 128 -15.830 2.786 16.020 1.00 0.00 C ATOM 1888 CG GLU A 128 -14.825 2.660 17.153 1.00 0.00 C ATOM 1889 CD GLU A 128 -15.489 2.453 18.501 1.00 0.00 C ATOM 1890 OE1 GLU A 128 -16.463 3.175 18.801 1.00 0.00 O ATOM 1891 OE2 GLU A 128 -15.035 1.567 19.255 1.00 0.00 O ATOM 0 H GLU A 128 -16.894 2.646 13.370 1.00 0.00 H new ATOM 0 HA GLU A 128 -14.234 2.996 14.596 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -16.270 3.783 16.045 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -16.640 2.075 16.183 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -14.156 1.824 16.949 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -14.209 3.559 17.189 1.00 0.00 H new ATOM 1898 N SER A 129 -13.966 0.480 14.834 1.00 0.00 N ATOM 1899 CA SER A 129 -13.704 -0.944 14.656 1.00 0.00 C ATOM 1900 C SER A 129 -12.969 -1.517 15.864 1.00 0.00 C ATOM 1901 O SER A 129 -12.379 -0.779 16.653 1.00 0.00 O ATOM 1902 CB SER A 129 -12.883 -1.178 13.387 1.00 0.00 C ATOM 1903 OG SER A 129 -12.558 -2.549 13.236 1.00 0.00 O ATOM 0 H SER A 129 -13.228 0.986 15.323 1.00 0.00 H new ATOM 0 HA SER A 129 -14.662 -1.455 14.560 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.445 -0.836 12.518 1.00 0.00 H new ATOM 0 HB3 SER A 129 -11.968 -0.586 13.427 1.00 0.00 H new ATOM 0 HG SER A 129 -12.035 -2.673 12.417 1.00 0.00 H new ATOM 1909 N GLY A 130 -13.009 -2.839 16.001 1.00 0.00 N ATOM 1910 CA GLY A 130 -12.343 -3.489 17.115 1.00 0.00 C ATOM 1911 C GLY A 130 -10.834 -3.387 17.028 1.00 0.00 C ATOM 1912 O GLY A 130 -10.239 -3.557 15.963 1.00 0.00 O ATOM 0 H GLY A 130 -13.490 -3.471 15.361 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -12.681 -3.040 18.049 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -12.632 -4.540 17.144 1.00 0.00 H new ATOM 1916 N PRO A 131 -10.189 -3.102 18.169 1.00 0.00 N ATOM 1917 CA PRO A 131 -8.731 -2.969 18.242 1.00 0.00 C ATOM 1918 C PRO A 131 -8.018 -4.305 18.059 1.00 0.00 C ATOM 1919 O PRO A 131 -8.582 -5.363 18.335 1.00 0.00 O ATOM 1920 CB PRO A 131 -8.495 -2.427 19.654 1.00 0.00 C ATOM 1921 CG PRO A 131 -9.678 -2.880 20.437 1.00 0.00 C ATOM 1922 CD PRO A 131 -10.834 -2.887 19.475 1.00 0.00 C ATOM 0 HA PRO A 131 -8.340 -2.327 17.453 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -7.568 -2.815 20.077 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -8.414 -1.340 19.652 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -9.512 -3.873 20.855 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -9.871 -2.210 21.275 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -11.545 -3.680 19.707 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -11.385 -1.947 19.501 1.00 0.00 H new ATOM 1930 N SER A 132 -6.775 -4.247 17.592 1.00 0.00 N ATOM 1931 CA SER A 132 -5.985 -5.452 17.369 1.00 0.00 C ATOM 1932 C SER A 132 -5.157 -5.796 18.603 1.00 0.00 C ATOM 1933 O SER A 132 -4.802 -4.918 19.390 1.00 0.00 O ATOM 1934 CB SER A 132 -5.067 -5.269 16.159 1.00 0.00 C ATOM 1935 OG SER A 132 -4.043 -4.330 16.433 1.00 0.00 O ATOM 0 H SER A 132 -6.293 -3.378 17.361 1.00 0.00 H new ATOM 0 HA SER A 132 -6.672 -6.275 17.174 1.00 0.00 H new ATOM 0 HB2 SER A 132 -4.623 -6.227 15.887 1.00 0.00 H new ATOM 0 HB3 SER A 132 -5.652 -4.934 15.302 1.00 0.00 H new ATOM 0 HG SER A 132 -3.469 -4.232 15.645 1.00 0.00 H new ATOM 1941 N SER A 133 -4.852 -7.079 18.764 1.00 0.00 N ATOM 1942 CA SER A 133 -4.068 -7.541 19.904 1.00 0.00 C ATOM 1943 C SER A 133 -2.590 -7.215 19.715 1.00 0.00 C ATOM 1944 O SER A 133 -1.983 -6.531 20.539 1.00 0.00 O ATOM 1945 CB SER A 133 -4.249 -9.048 20.097 1.00 0.00 C ATOM 1946 OG SER A 133 -5.622 -9.395 20.146 1.00 0.00 O ATOM 0 H SER A 133 -5.135 -7.817 18.120 1.00 0.00 H new ATOM 0 HA SER A 133 -4.426 -7.022 20.793 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.764 -9.583 19.280 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.758 -9.361 21.019 1.00 0.00 H new ATOM 0 HG SER A 133 -5.711 -10.363 20.268 1.00 0.00 H new ATOM 1952 N GLY A 134 -2.016 -7.709 18.622 1.00 0.00 N ATOM 1953 CA GLY A 134 -0.614 -7.460 18.344 1.00 0.00 C ATOM 1954 C GLY A 134 0.241 -8.700 18.517 1.00 0.00 C ATOM 1955 O GLY A 134 1.292 -8.653 19.156 1.00 0.00 O ATOM 0 H GLY A 134 -2.497 -8.277 17.925 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -0.509 -7.090 17.324 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -0.249 -6.676 19.007 1.00 0.00 H new TER 1959 GLY A 134