USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 550 hydrogens (5 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 37 TYR OH : rot -141:sc= 1.54 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 158:sc= 0.688 (180deg=0) USER MOD Set 1.3: A 55 MET CE :methyl 180:sc=-0.00364 (180deg=0) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.18 X(o=0.09,f=-0.26) USER MOD Set 2.2: A 35 ASN : amide:sc= -0.0893 K(o=0.09,f=-0.51) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.023 (180deg=-0.396) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.0841 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 149:sc= -0.276 (180deg=-0.507) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= 1.09 (180deg=0.52) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0756 X(o=-0.076,f=-0.14) USER MOD Single : A 32 CYS SG : rot -33:sc= 0.0697 USER MOD Single : A 38 LYS NZ :NH3+ 146:sc= 1.01 (180deg=-0.311) USER MOD Single : A 42 ASN : amide:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -4 K(o=-4,f=-12!) USER MOD Single : A 52 TYR OH : rot -22:sc= 1.24 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.154 3.032 4.081 1.00 0.00 N ATOM 2 CA MET A 1 8.153 1.620 3.744 1.00 0.00 C ATOM 3 C MET A 1 7.626 1.528 2.304 1.00 0.00 C ATOM 4 O MET A 1 6.774 2.306 1.889 1.00 0.00 O ATOM 5 CB MET A 1 7.265 0.869 4.759 1.00 0.00 C ATOM 6 CG MET A 1 6.922 -0.579 4.366 1.00 0.00 C ATOM 7 SD MET A 1 5.607 -1.266 5.388 1.00 0.00 S ATOM 8 CE MET A 1 6.399 -1.189 7.000 1.00 0.00 C ATOM 0 H1 MET A 1 9.127 3.396 4.047 1.00 0.00 H new ATOM 0 H2 MET A 1 7.565 3.552 3.399 1.00 0.00 H new ATOM 0 H3 MET A 1 7.770 3.161 5.039 1.00 0.00 H new ATOM 0 HA MET A 1 9.140 1.161 3.795 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.770 0.859 5.725 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.337 1.425 4.890 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.619 -0.608 3.319 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.813 -1.200 4.457 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.837 -1.795 7.711 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.417 -1.570 6.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.423 -0.155 7.344 1.00 0.00 H new ATOM 18 N GLU A 2 8.198 0.550 1.569 1.00 0.00 N ATOM 19 CA GLU A 2 7.779 0.333 0.192 1.00 0.00 C ATOM 20 C GLU A 2 6.674 -0.731 0.204 1.00 0.00 C ATOM 21 O GLU A 2 6.803 -1.813 0.764 1.00 0.00 O ATOM 22 CB GLU A 2 8.977 -0.050 -0.686 1.00 0.00 C ATOM 23 CG GLU A 2 10.086 1.022 -0.668 1.00 0.00 C ATOM 24 CD GLU A 2 9.560 2.423 -1.044 1.00 0.00 C ATOM 25 OE1 GLU A 2 9.449 2.715 -2.233 1.00 0.00 O ATOM 26 OE2 GLU A 2 9.262 3.205 -0.142 1.00 0.00 O ATOM 0 H GLU A 2 8.928 -0.078 1.904 1.00 0.00 H new ATOM 0 HA GLU A 2 7.378 1.247 -0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.387 -0.999 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.639 -0.202 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.534 1.060 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.875 0.735 -1.363 1.00 0.00 H new ATOM 33 N ALA A 3 5.570 -0.290 -0.422 1.00 0.00 N ATOM 34 CA ALA A 3 4.346 -1.052 -0.562 1.00 0.00 C ATOM 35 C ALA A 3 4.290 -1.564 -2.007 1.00 0.00 C ATOM 36 O ALA A 3 4.658 -0.867 -2.945 1.00 0.00 O ATOM 37 CB ALA A 3 3.214 -0.100 -0.164 1.00 0.00 C ATOM 0 H ALA A 3 5.517 0.633 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 3 4.271 -1.935 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.258 -0.616 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.360 0.228 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.218 0.766 -0.825 1.00 0.00 H new ATOM 43 N ILE A 4 3.824 -2.824 -2.119 1.00 0.00 N ATOM 44 CA ILE A 4 3.765 -3.483 -3.416 1.00 0.00 C ATOM 45 C ILE A 4 2.444 -4.240 -3.545 1.00 0.00 C ATOM 46 O ILE A 4 2.164 -5.183 -2.817 1.00 0.00 O ATOM 47 CB ILE A 4 4.962 -4.455 -3.504 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.318 -3.717 -3.555 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.856 -5.462 -4.666 1.00 0.00 C ATOM 50 CD1 ILE A 4 6.516 -2.840 -4.802 1.00 0.00 C ATOM 0 H ILE A 4 3.491 -3.387 -1.336 1.00 0.00 H new ATOM 0 HA ILE A 4 3.818 -2.756 -4.226 1.00 0.00 H new ATOM 0 HB ILE A 4 4.919 -5.030 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.411 -3.092 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.121 -4.453 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.731 -6.112 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.956 -6.065 -4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.806 -4.922 -5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.493 -2.359 -4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.458 -3.461 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.738 -2.078 -4.838 1.00 0.00 H new ATOM 62 N ALA A 5 1.670 -3.762 -4.537 1.00 0.00 N ATOM 63 CA ALA A 5 0.381 -4.367 -4.823 1.00 0.00 C ATOM 64 C ALA A 5 0.569 -5.804 -5.359 1.00 0.00 C ATOM 65 O ALA A 5 1.174 -6.029 -6.399 1.00 0.00 O ATOM 66 CB ALA A 5 -0.312 -3.531 -5.896 1.00 0.00 C ATOM 0 H ALA A 5 1.918 -2.975 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.213 -4.404 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.284 -3.968 -6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.449 -2.513 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.301 -3.514 -6.797 1.00 0.00 H new ATOM 72 N LYS A 6 -0.014 -6.745 -4.598 1.00 0.00 N ATOM 73 CA LYS A 6 0.030 -8.168 -4.934 1.00 0.00 C ATOM 74 C LYS A 6 -1.123 -8.573 -5.843 1.00 0.00 C ATOM 75 O LYS A 6 -1.122 -9.652 -6.419 1.00 0.00 O ATOM 76 CB LYS A 6 -0.124 -8.974 -3.655 1.00 0.00 C ATOM 77 CG LYS A 6 1.160 -8.916 -2.843 1.00 0.00 C ATOM 78 CD LYS A 6 1.422 -10.230 -2.104 1.00 0.00 C ATOM 79 CE LYS A 6 0.797 -10.296 -0.703 1.00 0.00 C ATOM 80 NZ LYS A 6 -0.576 -9.799 -0.657 1.00 0.00 N ATOM 0 H LYS A 6 -0.524 -6.538 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 6 0.977 -8.356 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.954 -8.582 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.365 -10.010 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.999 -8.697 -3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.099 -8.100 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.034 -11.055 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.499 -10.377 -2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.814 -11.328 -0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.409 -9.716 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.105 -10.308 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.570 -8.782 -0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.032 -9.952 -1.579 1.00 0.00 H new ATOM 94 N TYR A 7 -2.102 -7.655 -5.906 1.00 0.00 N ATOM 95 CA TYR A 7 -3.283 -7.864 -6.740 1.00 0.00 C ATOM 96 C TYR A 7 -3.724 -6.537 -7.381 1.00 0.00 C ATOM 97 O TYR A 7 -3.213 -5.463 -7.090 1.00 0.00 O ATOM 98 CB TYR A 7 -4.421 -8.485 -5.913 1.00 0.00 C ATOM 99 CG TYR A 7 -4.012 -9.764 -5.234 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.122 -10.994 -5.872 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.487 -9.725 -3.953 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.706 -12.158 -5.243 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.056 -10.879 -3.312 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.168 -12.116 -3.953 1.00 0.00 C ATOM 105 OH TYR A 7 -2.729 -13.289 -3.346 1.00 0.00 O ATOM 0 H TYR A 7 -2.094 -6.773 -5.394 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.031 -8.560 -7.540 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.751 -7.768 -5.161 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.273 -8.680 -6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.536 -11.044 -6.868 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.411 -8.777 -3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.798 -13.105 -5.754 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.635 -10.821 -2.319 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.382 -13.085 -2.452 1.00 0.00 H new ATOM 115 N ASP A 8 -4.705 -6.726 -8.285 1.00 0.00 N ATOM 116 CA ASP A 8 -5.358 -5.673 -9.049 1.00 0.00 C ATOM 117 C ASP A 8 -6.605 -5.213 -8.263 1.00 0.00 C ATOM 118 O ASP A 8 -7.438 -6.015 -7.859 1.00 0.00 O ATOM 119 CB ASP A 8 -5.692 -6.197 -10.462 1.00 0.00 C ATOM 120 CG ASP A 8 -6.480 -7.529 -10.461 1.00 0.00 C ATOM 121 OD1 ASP A 8 -5.875 -8.573 -10.206 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.682 -7.510 -10.725 1.00 0.00 O ATOM 0 H ASP A 8 -5.069 -7.653 -8.503 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.708 -4.808 -9.183 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.273 -5.442 -10.992 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.764 -6.334 -11.018 1.00 0.00 H new ATOM 127 N PHE A 9 -6.662 -3.876 -8.075 1.00 0.00 N ATOM 128 CA PHE A 9 -7.746 -3.260 -7.310 1.00 0.00 C ATOM 129 C PHE A 9 -8.287 -1.968 -7.943 1.00 0.00 C ATOM 130 O PHE A 9 -7.629 -1.201 -8.634 1.00 0.00 O ATOM 131 CB PHE A 9 -7.231 -2.941 -5.892 1.00 0.00 C ATOM 132 CG PHE A 9 -8.334 -2.696 -4.888 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.261 -3.701 -4.660 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.456 -1.500 -4.178 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.294 -3.525 -3.756 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.487 -1.326 -3.259 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.408 -2.345 -3.045 1.00 0.00 C ATOM 0 H PHE A 9 -5.975 -3.217 -8.441 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.570 -3.974 -7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.612 -3.768 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.590 -2.061 -5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.176 -4.635 -5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.745 -0.704 -4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.015 -4.314 -3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.571 -0.399 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.206 -2.216 -2.329 1.00 0.00 H new ATOM 147 N LYS A 10 -9.570 -1.825 -7.601 1.00 0.00 N ATOM 148 CA LYS A 10 -10.432 -0.719 -7.969 1.00 0.00 C ATOM 149 C LYS A 10 -11.217 -0.301 -6.700 1.00 0.00 C ATOM 150 O LYS A 10 -12.111 -0.989 -6.226 1.00 0.00 O ATOM 151 CB LYS A 10 -11.298 -1.089 -9.184 1.00 0.00 C ATOM 152 CG LYS A 10 -12.469 -2.055 -8.919 1.00 0.00 C ATOM 153 CD LYS A 10 -12.107 -3.326 -8.131 1.00 0.00 C ATOM 154 CE LYS A 10 -11.167 -4.279 -8.879 1.00 0.00 C ATOM 155 NZ LYS A 10 -11.844 -4.984 -9.960 1.00 0.00 N ATOM 0 H LYS A 10 -10.053 -2.519 -7.030 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.868 0.152 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.702 -0.170 -9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.653 -1.533 -9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.245 -1.518 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.898 -2.351 -9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.640 -3.036 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.024 -3.859 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.328 -3.714 -9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.754 -5.004 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.170 -5.617 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.629 -5.544 -9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.216 -4.295 -10.644 1.00 0.00 H new ATOM 169 N ALA A 11 -10.799 0.859 -6.167 1.00 0.00 N ATOM 170 CA ALA A 11 -11.412 1.425 -4.957 1.00 0.00 C ATOM 171 C ALA A 11 -12.938 1.515 -5.029 1.00 0.00 C ATOM 172 O ALA A 11 -13.572 1.552 -6.078 1.00 0.00 O ATOM 173 CB ALA A 11 -10.934 2.848 -4.676 1.00 0.00 C ATOM 0 H ALA A 11 -10.041 1.421 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.107 0.733 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.415 3.222 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.853 2.848 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.192 3.491 -5.517 1.00 0.00 H new ATOM 179 N THR A 12 -13.440 1.570 -3.785 1.00 0.00 N ATOM 180 CA THR A 12 -14.850 1.752 -3.518 1.00 0.00 C ATOM 181 C THR A 12 -15.098 3.281 -3.490 1.00 0.00 C ATOM 182 O THR A 12 -16.176 3.781 -3.782 1.00 0.00 O ATOM 183 CB THR A 12 -15.171 1.082 -2.157 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.543 1.707 -0.993 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.980 -0.463 -2.282 1.00 0.00 C ATOM 0 H THR A 12 -12.868 1.488 -2.945 1.00 0.00 H new ATOM 0 HA THR A 12 -15.494 1.298 -4.271 1.00 0.00 H new ATOM 0 HB THR A 12 -16.222 1.262 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.801 1.221 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.205 -0.936 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.652 -0.852 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.949 -0.681 -2.561 1.00 0.00 H new ATOM 193 N ALA A 13 -13.969 3.951 -3.151 1.00 0.00 N ATOM 194 CA ALA A 13 -13.763 5.383 -3.031 1.00 0.00 C ATOM 195 C ALA A 13 -14.668 6.019 -1.993 1.00 0.00 C ATOM 196 O ALA A 13 -15.660 6.697 -2.234 1.00 0.00 O ATOM 197 CB ALA A 13 -13.759 6.090 -4.368 1.00 0.00 C ATOM 0 H ALA A 13 -13.112 3.440 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.753 5.520 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.601 7.158 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.957 5.690 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.716 5.933 -4.866 1.00 0.00 H new ATOM 203 N ASP A 14 -14.139 5.729 -0.807 1.00 0.00 N ATOM 204 CA ASP A 14 -14.655 6.132 0.473 1.00 0.00 C ATOM 205 C ASP A 14 -13.519 6.862 1.229 1.00 0.00 C ATOM 206 O ASP A 14 -13.584 7.034 2.441 1.00 0.00 O ATOM 207 CB ASP A 14 -15.052 4.783 1.100 1.00 0.00 C ATOM 208 CG ASP A 14 -15.988 4.876 2.310 1.00 0.00 C ATOM 209 OD1 ASP A 14 -17.195 5.034 2.115 1.00 0.00 O ATOM 210 OD2 ASP A 14 -15.510 4.758 3.435 1.00 0.00 O ATOM 0 H ASP A 14 -13.288 5.173 -0.723 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.498 6.823 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.532 4.173 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.145 4.260 1.402 1.00 0.00 H new ATOM 215 N ASP A 15 -12.517 7.268 0.387 1.00 0.00 N ATOM 216 CA ASP A 15 -11.226 7.929 0.672 1.00 0.00 C ATOM 217 C ASP A 15 -10.042 7.078 0.143 1.00 0.00 C ATOM 218 O ASP A 15 -8.872 7.345 0.401 1.00 0.00 O ATOM 219 CB ASP A 15 -11.057 8.282 2.149 1.00 0.00 C ATOM 220 CG ASP A 15 -10.861 7.116 3.148 1.00 0.00 C ATOM 221 OD1 ASP A 15 -10.743 5.962 2.737 1.00 0.00 O ATOM 222 OD2 ASP A 15 -10.828 7.384 4.347 1.00 0.00 O ATOM 0 H ASP A 15 -12.618 7.117 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.227 8.878 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.199 8.949 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.935 8.848 2.461 1.00 0.00 H new ATOM 227 N GLU A 16 -10.452 6.073 -0.653 1.00 0.00 N ATOM 228 CA GLU A 16 -9.559 5.080 -1.251 1.00 0.00 C ATOM 229 C GLU A 16 -9.190 5.410 -2.709 1.00 0.00 C ATOM 230 O GLU A 16 -9.780 6.245 -3.384 1.00 0.00 O ATOM 231 CB GLU A 16 -10.320 3.741 -1.301 1.00 0.00 C ATOM 232 CG GLU A 16 -10.573 3.106 0.067 1.00 0.00 C ATOM 233 CD GLU A 16 -11.508 1.879 -0.010 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.621 1.279 -1.085 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.116 1.533 1.005 1.00 0.00 O ATOM 0 H GLU A 16 -11.432 5.931 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.650 5.055 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.278 3.900 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.756 3.039 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.621 2.806 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.010 3.850 0.733 1.00 0.00 H new ATOM 242 N LEU A 17 -8.136 4.663 -3.113 1.00 0.00 N ATOM 243 CA LEU A 17 -7.603 4.734 -4.484 1.00 0.00 C ATOM 244 C LEU A 17 -7.240 3.345 -5.011 1.00 0.00 C ATOM 245 O LEU A 17 -7.037 2.372 -4.296 1.00 0.00 O ATOM 246 CB LEU A 17 -6.502 5.790 -4.689 1.00 0.00 C ATOM 247 CG LEU A 17 -5.159 5.569 -3.964 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.151 4.735 -4.764 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.505 6.920 -3.718 1.00 0.00 C ATOM 0 H LEU A 17 -7.643 4.007 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.416 5.106 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.299 5.861 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.899 6.755 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.398 5.030 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.232 4.624 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.573 3.751 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.930 5.237 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.554 6.776 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.331 7.419 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.160 7.534 -3.101 1.00 0.00 H new ATOM 261 N SER A 18 -7.191 3.377 -6.349 1.00 0.00 N ATOM 262 CA SER A 18 -6.916 2.230 -7.183 1.00 0.00 C ATOM 263 C SER A 18 -5.405 2.032 -7.394 1.00 0.00 C ATOM 264 O SER A 18 -4.592 2.939 -7.284 1.00 0.00 O ATOM 265 CB SER A 18 -7.563 2.574 -8.556 1.00 0.00 C ATOM 266 OG SER A 18 -9.012 2.901 -8.646 1.00 0.00 O ATOM 0 H SER A 18 -7.348 4.232 -6.883 1.00 0.00 H new ATOM 0 HA SER A 18 -7.303 1.318 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.015 3.422 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.382 1.727 -9.218 1.00 0.00 H new ATOM 0 HG SER A 18 -9.247 3.092 -9.578 1.00 0.00 H new ATOM 272 N PHE A 19 -5.134 0.763 -7.732 1.00 0.00 N ATOM 273 CA PHE A 19 -3.796 0.280 -8.031 1.00 0.00 C ATOM 274 C PHE A 19 -3.977 -1.000 -8.816 1.00 0.00 C ATOM 275 O PHE A 19 -4.958 -1.708 -8.665 1.00 0.00 O ATOM 276 CB PHE A 19 -2.932 -0.010 -6.790 1.00 0.00 C ATOM 277 CG PHE A 19 -3.599 -0.872 -5.749 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.480 -2.256 -5.793 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.321 -0.289 -4.714 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.057 -3.047 -4.812 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.909 -1.075 -3.737 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.771 -2.453 -3.782 1.00 0.00 C ATOM 0 H PHE A 19 -5.852 0.042 -7.804 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.265 1.059 -8.578 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.011 -0.497 -7.110 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.649 0.937 -6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.932 -2.720 -6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.424 0.785 -4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.951 -4.121 -4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.475 -0.614 -2.941 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.220 -3.065 -3.014 1.00 0.00 H new ATOM 292 N LYS A 20 -2.980 -1.232 -9.671 1.00 0.00 N ATOM 293 CA LYS A 20 -2.944 -2.418 -10.503 1.00 0.00 C ATOM 294 C LYS A 20 -1.829 -3.307 -9.958 1.00 0.00 C ATOM 295 O LYS A 20 -0.860 -2.837 -9.374 1.00 0.00 O ATOM 296 CB LYS A 20 -2.783 -2.087 -11.988 1.00 0.00 C ATOM 297 CG LYS A 20 -1.628 -1.133 -12.159 1.00 0.00 C ATOM 298 CD LYS A 20 -1.298 -0.758 -13.605 1.00 0.00 C ATOM 299 CE LYS A 20 -0.173 0.280 -13.664 1.00 0.00 C ATOM 300 NZ LYS A 20 1.108 -0.282 -13.251 1.00 0.00 N ATOM 0 H LYS A 20 -2.186 -0.605 -9.800 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.895 -2.949 -10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.606 -2.998 -12.559 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.699 -1.641 -12.375 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.847 -0.220 -11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.742 -1.576 -11.705 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.003 -1.650 -14.157 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.188 -0.362 -14.093 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.089 0.667 -14.680 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.423 1.124 -13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.880 0.231 -13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.211 -0.191 -12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.148 -1.287 -13.515 1.00 0.00 H new ATOM 314 N ARG A 21 -2.048 -4.612 -10.170 1.00 0.00 N ATOM 315 CA ARG A 21 -1.076 -5.626 -9.774 1.00 0.00 C ATOM 316 C ARG A 21 0.371 -5.228 -10.178 1.00 0.00 C ATOM 317 O ARG A 21 0.750 -5.227 -11.342 1.00 0.00 O ATOM 318 CB ARG A 21 -1.492 -6.935 -10.458 1.00 0.00 C ATOM 319 CG ARG A 21 -0.430 -8.034 -10.354 1.00 0.00 C ATOM 320 CD ARG A 21 -0.365 -8.646 -8.965 1.00 0.00 C ATOM 321 NE ARG A 21 0.769 -9.558 -8.851 1.00 0.00 N ATOM 322 CZ ARG A 21 2.004 -9.175 -8.463 1.00 0.00 C ATOM 323 NH1 ARG A 21 2.280 -7.924 -8.130 1.00 0.00 N ATOM 324 NH2 ARG A 21 2.973 -10.075 -8.405 1.00 0.00 N ATOM 0 H ARG A 21 -2.888 -4.984 -10.612 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.069 -5.735 -8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.420 -7.292 -10.011 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.700 -6.738 -11.510 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.647 -8.815 -11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.545 -7.619 -10.612 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.278 -7.856 -8.219 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.291 -9.182 -8.756 1.00 0.00 H new ATOM 0 HE ARG A 21 0.620 -10.541 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.548 -7.214 -8.162 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.225 -7.670 -7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.783 -11.046 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.910 -9.797 -8.113 1.00 0.00 H new ATOM 338 N GLY A 22 1.123 -4.911 -9.106 1.00 0.00 N ATOM 339 CA GLY A 22 2.522 -4.537 -9.180 1.00 0.00 C ATOM 340 C GLY A 22 2.807 -3.045 -9.009 1.00 0.00 C ATOM 341 O GLY A 22 3.908 -2.624 -9.344 1.00 0.00 O ATOM 0 H GLY A 22 0.755 -4.912 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.069 -5.085 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.917 -4.858 -10.144 1.00 0.00 H new ATOM 345 N ASP A 23 1.827 -2.245 -8.490 1.00 0.00 N ATOM 346 CA ASP A 23 2.163 -0.833 -8.344 1.00 0.00 C ATOM 347 C ASP A 23 3.176 -0.615 -7.208 1.00 0.00 C ATOM 348 O ASP A 23 3.340 -1.418 -6.296 1.00 0.00 O ATOM 349 CB ASP A 23 0.914 0.049 -8.131 1.00 0.00 C ATOM 350 CG ASP A 23 0.199 0.465 -9.433 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.720 0.226 -10.518 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.878 1.049 -9.346 1.00 0.00 O ATOM 0 H ASP A 23 0.893 -2.533 -8.197 1.00 0.00 H new ATOM 0 HA ASP A 23 2.623 -0.525 -9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.208 -0.489 -7.499 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.207 0.948 -7.588 1.00 0.00 H new ATOM 357 N ILE A 24 3.832 0.555 -7.366 1.00 0.00 N ATOM 358 CA ILE A 24 4.831 1.043 -6.429 1.00 0.00 C ATOM 359 C ILE A 24 4.111 2.120 -5.605 1.00 0.00 C ATOM 360 O ILE A 24 3.836 3.221 -6.068 1.00 0.00 O ATOM 361 CB ILE A 24 6.053 1.604 -7.184 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.664 0.535 -8.116 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.107 2.139 -6.200 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.750 1.081 -9.049 1.00 0.00 C ATOM 0 H ILE A 24 3.673 1.180 -8.156 1.00 0.00 H new ATOM 0 HA ILE A 24 5.223 0.256 -5.785 1.00 0.00 H new ATOM 0 HB ILE A 24 5.714 2.436 -7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.087 -0.265 -7.509 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.870 0.092 -8.717 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.959 2.529 -6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.671 2.936 -5.598 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.439 1.331 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.133 0.274 -9.673 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.327 1.861 -9.683 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.564 1.498 -8.455 1.00 0.00 H new ATOM 376 N LEU A 25 3.811 1.692 -4.366 1.00 0.00 N ATOM 377 CA LEU A 25 3.098 2.467 -3.378 1.00 0.00 C ATOM 378 C LEU A 25 4.079 2.916 -2.305 1.00 0.00 C ATOM 379 O LEU A 25 5.153 2.351 -2.128 1.00 0.00 O ATOM 380 CB LEU A 25 2.136 1.483 -2.692 1.00 0.00 C ATOM 381 CG LEU A 25 0.872 1.093 -3.452 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.089 0.858 -4.930 1.00 0.00 C ATOM 383 CD2 LEU A 25 0.240 -0.170 -2.878 1.00 0.00 C ATOM 0 H LEU A 25 4.074 0.765 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 25 2.600 3.324 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.690 0.571 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.835 1.916 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 25 0.214 1.953 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.143 0.585 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.472 1.768 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.808 0.051 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.658 -0.417 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.950 -0.995 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.024 -0.002 -1.834 1.00 0.00 H new ATOM 395 N LYS A 26 3.605 3.945 -1.588 1.00 0.00 N ATOM 396 CA LYS A 26 4.382 4.457 -0.464 1.00 0.00 C ATOM 397 C LYS A 26 3.432 4.632 0.709 1.00 0.00 C ATOM 398 O LYS A 26 2.644 5.562 0.754 1.00 0.00 O ATOM 399 CB LYS A 26 5.177 5.730 -0.782 1.00 0.00 C ATOM 400 CG LYS A 26 6.405 5.455 -1.659 1.00 0.00 C ATOM 401 CD LYS A 26 7.456 6.572 -1.585 1.00 0.00 C ATOM 402 CE LYS A 26 8.152 6.625 -0.217 1.00 0.00 C ATOM 403 NZ LYS A 26 9.302 7.518 -0.191 1.00 0.00 N ATOM 0 H LYS A 26 2.720 4.421 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 26 5.159 3.735 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.526 6.443 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.498 6.196 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.861 4.514 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.086 5.332 -2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.202 6.418 -2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.979 7.531 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.433 6.947 0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.474 5.621 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.727 7.509 0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.005 7.199 -0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.997 8.484 -0.425 1.00 0.00 H new ATOM 417 N VAL A 27 3.623 3.715 1.682 1.00 0.00 N ATOM 418 CA VAL A 27 2.839 3.615 2.870 1.00 0.00 C ATOM 419 C VAL A 27 3.519 4.536 3.879 1.00 0.00 C ATOM 420 O VAL A 27 4.563 4.277 4.466 1.00 0.00 O ATOM 421 CB VAL A 27 2.837 2.137 3.294 1.00 0.00 C ATOM 422 CG1 VAL A 27 1.658 1.382 2.687 1.00 0.00 C ATOM 423 CG2 VAL A 27 4.145 1.362 3.059 1.00 0.00 C ATOM 0 H VAL A 27 4.361 3.012 1.632 1.00 0.00 H new ATOM 0 HA VAL A 27 1.797 3.917 2.761 1.00 0.00 H new ATOM 0 HB VAL A 27 2.734 2.186 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.689 0.341 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.725 1.837 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.717 1.428 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.024 0.333 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.386 1.370 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.953 1.834 3.618 1.00 0.00 H new ATOM 433 N LEU A 28 2.790 5.659 3.952 1.00 0.00 N ATOM 434 CA LEU A 28 3.145 6.808 4.750 1.00 0.00 C ATOM 435 C LEU A 28 2.513 6.777 6.152 1.00 0.00 C ATOM 436 O LEU A 28 3.196 6.985 7.146 1.00 0.00 O ATOM 437 CB LEU A 28 2.672 8.015 3.920 1.00 0.00 C ATOM 438 CG LEU A 28 3.157 9.369 4.466 1.00 0.00 C ATOM 439 CD1 LEU A 28 4.684 9.510 4.361 1.00 0.00 C ATOM 440 CD2 LEU A 28 2.450 10.517 3.734 1.00 0.00 C ATOM 0 H LEU A 28 1.917 5.782 3.439 1.00 0.00 H new ATOM 0 HA LEU A 28 4.216 6.844 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.023 7.900 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.583 8.016 3.885 1.00 0.00 H new ATOM 0 HG LEU A 28 2.901 9.416 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.988 10.479 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.163 8.717 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.985 9.434 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.801 11.471 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.673 10.461 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.373 10.436 3.884 1.00 0.00 H new ATOM 452 N ASN A 29 1.183 6.510 6.169 1.00 0.00 N ATOM 453 CA ASN A 29 0.438 6.495 7.434 1.00 0.00 C ATOM 454 C ASN A 29 -0.554 5.315 7.515 1.00 0.00 C ATOM 455 O ASN A 29 -1.127 4.878 6.526 1.00 0.00 O ATOM 456 CB ASN A 29 -0.374 7.802 7.537 1.00 0.00 C ATOM 457 CG ASN A 29 0.512 9.053 7.446 1.00 0.00 C ATOM 458 OD1 ASN A 29 1.554 9.159 8.075 1.00 0.00 O ATOM 459 ND2 ASN A 29 0.032 10.000 6.623 1.00 0.00 N ATOM 0 H ASN A 29 0.624 6.308 5.340 1.00 0.00 H new ATOM 0 HA ASN A 29 1.160 6.393 8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.117 7.828 6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.919 7.814 8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.546 10.872 6.494 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.846 9.847 6.127 1.00 0.00 H new ATOM 466 N GLU A 30 -0.712 4.862 8.778 1.00 0.00 N ATOM 467 CA GLU A 30 -1.614 3.782 9.173 1.00 0.00 C ATOM 468 C GLU A 30 -2.353 4.361 10.399 1.00 0.00 C ATOM 469 O GLU A 30 -1.918 4.250 11.539 1.00 0.00 O ATOM 470 CB GLU A 30 -0.840 2.480 9.489 1.00 0.00 C ATOM 471 CG GLU A 30 0.217 2.088 8.432 1.00 0.00 C ATOM 472 CD GLU A 30 1.521 2.913 8.484 1.00 0.00 C ATOM 473 OE1 GLU A 30 1.911 3.365 9.562 1.00 0.00 O ATOM 474 OE2 GLU A 30 2.133 3.096 7.433 1.00 0.00 O ATOM 0 H GLU A 30 -0.197 5.255 9.566 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.306 3.487 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.346 2.592 10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.555 1.663 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.465 1.034 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.224 2.194 7.441 1.00 0.00 H new ATOM 481 N GLU A 31 -3.482 5.016 10.063 1.00 0.00 N ATOM 482 CA GLU A 31 -4.316 5.738 10.979 1.00 0.00 C ATOM 483 C GLU A 31 -5.512 4.926 11.494 1.00 0.00 C ATOM 484 O GLU A 31 -6.565 4.811 10.881 1.00 0.00 O ATOM 485 CB GLU A 31 -4.757 6.983 10.205 1.00 0.00 C ATOM 486 CG GLU A 31 -5.698 7.856 11.027 1.00 0.00 C ATOM 487 CD GLU A 31 -5.978 9.208 10.348 1.00 0.00 C ATOM 488 OE1 GLU A 31 -5.031 9.948 10.090 1.00 0.00 O ATOM 489 OE2 GLU A 31 -7.142 9.507 10.087 1.00 0.00 O ATOM 0 H GLU A 31 -3.830 5.043 9.105 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.769 5.985 11.889 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.880 7.563 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.254 6.681 9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.639 7.328 11.182 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.263 8.029 12.012 1.00 0.00 H new ATOM 496 N CYS A 32 -5.215 4.400 12.686 1.00 0.00 N ATOM 497 CA CYS A 32 -6.126 3.640 13.547 1.00 0.00 C ATOM 498 C CYS A 32 -6.550 2.252 13.037 1.00 0.00 C ATOM 499 O CYS A 32 -7.161 1.505 13.789 1.00 0.00 O ATOM 500 CB CYS A 32 -7.358 4.503 13.868 1.00 0.00 C ATOM 501 SG CYS A 32 -8.380 3.863 15.223 1.00 0.00 S ATOM 0 H CYS A 32 -4.287 4.498 13.097 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.550 3.416 14.445 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.026 5.510 14.122 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.973 4.586 12.972 1.00 0.00 H new ATOM 0 HG CYS A 32 -8.345 2.563 15.216 1.00 0.00 H new ATOM 507 N ASP A 33 -6.211 1.929 11.771 1.00 0.00 N ATOM 508 CA ASP A 33 -6.601 0.631 11.218 1.00 0.00 C ATOM 509 C ASP A 33 -5.369 -0.093 10.672 1.00 0.00 C ATOM 510 O ASP A 33 -4.337 0.489 10.359 1.00 0.00 O ATOM 511 CB ASP A 33 -7.643 0.788 10.090 1.00 0.00 C ATOM 512 CG ASP A 33 -8.962 1.445 10.538 1.00 0.00 C ATOM 513 OD1 ASP A 33 -8.937 2.503 11.159 1.00 0.00 O ATOM 514 OD2 ASP A 33 -10.013 0.885 10.245 1.00 0.00 O ATOM 0 H ASP A 33 -5.686 2.531 11.137 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.050 0.048 12.022 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.207 1.384 9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.863 -0.195 9.674 1.00 0.00 H new ATOM 519 N GLN A 34 -5.580 -1.422 10.592 1.00 0.00 N ATOM 520 CA GLN A 34 -4.626 -2.376 10.101 1.00 0.00 C ATOM 521 C GLN A 34 -4.759 -2.404 8.570 1.00 0.00 C ATOM 522 O GLN A 34 -3.969 -1.826 7.836 1.00 0.00 O ATOM 523 CB GLN A 34 -4.987 -3.685 10.829 1.00 0.00 C ATOM 524 CG GLN A 34 -4.265 -4.904 10.278 1.00 0.00 C ATOM 525 CD GLN A 34 -4.549 -6.139 11.135 1.00 0.00 C ATOM 526 OE1 GLN A 34 -3.814 -6.477 12.052 1.00 0.00 O ATOM 527 NE2 GLN A 34 -5.667 -6.782 10.769 1.00 0.00 N ATOM 0 H GLN A 34 -6.457 -1.853 10.883 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.575 -2.159 10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.750 -3.580 11.888 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.063 -3.846 10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.583 -5.087 9.252 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.192 -4.715 10.250 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.225 -6.432 9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.960 -7.621 11.270 1.00 0.00 H new ATOM 536 N ASN A 35 -5.853 -3.087 8.193 1.00 0.00 N ATOM 537 CA ASN A 35 -6.462 -3.408 6.928 1.00 0.00 C ATOM 538 C ASN A 35 -6.455 -2.272 5.922 1.00 0.00 C ATOM 539 O ASN A 35 -6.625 -2.535 4.750 1.00 0.00 O ATOM 540 CB ASN A 35 -7.943 -3.683 7.237 1.00 0.00 C ATOM 541 CG ASN A 35 -8.206 -4.904 8.123 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.379 -5.793 8.269 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.418 -4.865 8.709 1.00 0.00 N ATOM 0 H ASN A 35 -6.424 -3.496 8.933 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.902 -4.236 6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.366 -2.803 7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.476 -3.815 6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.708 -5.619 9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.046 -4.082 8.530 1.00 0.00 H new ATOM 550 N TRP A 36 -6.301 -1.019 6.388 1.00 0.00 N ATOM 551 CA TRP A 36 -6.305 0.075 5.423 1.00 0.00 C ATOM 552 C TRP A 36 -5.176 1.059 5.747 1.00 0.00 C ATOM 553 O TRP A 36 -5.111 1.693 6.793 1.00 0.00 O ATOM 554 CB TRP A 36 -7.653 0.800 5.419 1.00 0.00 C ATOM 555 CG TRP A 36 -8.739 -0.176 5.025 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.397 -1.077 5.868 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.227 -0.432 3.695 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.225 -1.854 5.132 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.148 -1.495 3.795 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.961 0.128 2.476 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.765 -1.963 2.671 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.591 -0.347 1.330 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.498 -1.397 1.426 1.00 0.00 C ATOM 0 H TRP A 36 -6.180 -0.756 7.366 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.144 -0.343 4.429 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.860 1.214 6.406 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.628 1.637 4.721 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.265 -1.142 6.938 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.818 -2.595 5.506 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.257 0.944 2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.467 -2.780 2.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.377 0.098 0.370 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -10.992 -1.771 0.542 1.00 0.00 H new ATOM 574 N TYR A 37 -4.318 1.109 4.723 1.00 0.00 N ATOM 575 CA TYR A 37 -3.128 1.952 4.680 1.00 0.00 C ATOM 576 C TYR A 37 -3.364 3.142 3.764 1.00 0.00 C ATOM 577 O TYR A 37 -3.895 2.996 2.679 1.00 0.00 O ATOM 578 CB TYR A 37 -1.990 1.217 3.958 1.00 0.00 C ATOM 579 CG TYR A 37 -1.350 0.090 4.703 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.348 0.035 6.089 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.698 -0.900 3.979 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.676 -0.973 6.749 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.022 -1.919 4.623 1.00 0.00 C ATOM 584 CZ TYR A 37 0.013 -1.952 6.021 1.00 0.00 C ATOM 585 OH TYR A 37 0.717 -2.948 6.679 1.00 0.00 O ATOM 0 H TYR A 37 -4.439 0.547 3.880 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.901 2.223 5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.378 0.828 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.217 1.944 3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.877 0.787 6.656 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.720 -0.873 2.900 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.681 -1.008 7.828 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.477 -2.686 4.050 1.00 0.00 H new ATOM 0 HH TYR A 37 1.555 -3.126 6.203 1.00 0.00 H new ATOM 595 N LYS A 38 -2.849 4.292 4.227 1.00 0.00 N ATOM 596 CA LYS A 38 -2.940 5.518 3.455 1.00 0.00 C ATOM 597 C LYS A 38 -1.567 5.662 2.784 1.00 0.00 C ATOM 598 O LYS A 38 -0.629 6.242 3.324 1.00 0.00 O ATOM 599 CB LYS A 38 -3.247 6.696 4.378 1.00 0.00 C ATOM 600 CG LYS A 38 -3.524 7.979 3.602 1.00 0.00 C ATOM 601 CD LYS A 38 -4.009 9.074 4.548 1.00 0.00 C ATOM 602 CE LYS A 38 -4.587 10.259 3.792 1.00 0.00 C ATOM 603 NZ LYS A 38 -3.553 11.011 3.093 1.00 0.00 N ATOM 0 H LYS A 38 -2.372 4.388 5.124 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.740 5.496 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.111 6.454 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.406 6.856 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.619 8.305 3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.275 7.793 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.766 8.666 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.180 9.410 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.328 9.906 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.106 10.917 4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.939 11.389 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.230 11.797 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.750 10.384 2.883 1.00 0.00 H new ATOM 617 N ALA A 39 -1.524 5.059 1.575 1.00 0.00 N ATOM 618 CA ALA A 39 -0.286 5.047 0.804 1.00 0.00 C ATOM 619 C ALA A 39 -0.357 6.093 -0.304 1.00 0.00 C ATOM 620 O ALA A 39 -1.307 6.862 -0.375 1.00 0.00 O ATOM 621 CB ALA A 39 -0.078 3.633 0.243 1.00 0.00 C ATOM 0 H ALA A 39 -2.314 4.590 1.132 1.00 0.00 H new ATOM 0 HA ALA A 39 0.566 5.301 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.844 3.604 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.011 2.921 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.919 3.369 -0.398 1.00 0.00 H new ATOM 627 N GLU A 40 0.686 6.058 -1.166 1.00 0.00 N ATOM 628 CA GLU A 40 0.759 7.034 -2.248 1.00 0.00 C ATOM 629 C GLU A 40 1.012 6.346 -3.602 1.00 0.00 C ATOM 630 O GLU A 40 1.912 5.533 -3.765 1.00 0.00 O ATOM 631 CB GLU A 40 1.904 7.996 -1.899 1.00 0.00 C ATOM 632 CG GLU A 40 2.115 9.133 -2.916 1.00 0.00 C ATOM 633 CD GLU A 40 3.330 9.985 -2.505 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.170 10.863 -1.658 1.00 0.00 O ATOM 635 OE2 GLU A 40 4.422 9.752 -3.028 1.00 0.00 O ATOM 0 H GLU A 40 1.454 5.388 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.184 7.571 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.709 8.433 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.829 7.425 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.271 8.718 -3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.223 9.757 -2.967 1.00 0.00 H new ATOM 642 N LEU A 41 0.169 6.786 -4.552 1.00 0.00 N ATOM 643 CA LEU A 41 0.160 6.365 -5.949 1.00 0.00 C ATOM 644 C LEU A 41 -0.539 7.315 -6.869 1.00 0.00 C ATOM 645 O LEU A 41 -1.605 7.853 -6.604 1.00 0.00 O ATOM 646 CB LEU A 41 -0.645 5.083 -6.228 1.00 0.00 C ATOM 647 CG LEU A 41 0.059 3.771 -6.153 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.047 2.730 -5.981 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.777 3.566 -7.497 1.00 0.00 C ATOM 0 H LEU A 41 -0.554 7.476 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 41 1.231 6.266 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.477 5.054 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.075 5.172 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 41 0.786 3.706 -5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.604 1.736 -5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.603 2.938 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.723 2.773 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.307 2.614 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.044 3.563 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.489 4.376 -7.656 1.00 0.00 H new ATOM 661 N ASN A 42 0.134 7.373 -8.035 1.00 0.00 N ATOM 662 CA ASN A 42 -0.405 8.110 -9.156 1.00 0.00 C ATOM 663 C ASN A 42 -0.665 9.597 -8.828 1.00 0.00 C ATOM 664 O ASN A 42 -1.558 10.235 -9.372 1.00 0.00 O ATOM 665 CB ASN A 42 -1.653 7.271 -9.525 1.00 0.00 C ATOM 666 CG ASN A 42 -1.827 7.065 -11.022 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.216 7.942 -11.783 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.494 5.808 -11.360 1.00 0.00 N ATOM 0 H ASN A 42 1.033 6.923 -8.208 1.00 0.00 H new ATOM 0 HA ASN A 42 0.274 8.211 -10.002 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.583 6.298 -9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.541 7.763 -9.129 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.555 5.508 -12.333 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.180 5.153 -10.643 1.00 0.00 H new ATOM 675 N GLY A 43 0.176 10.084 -7.887 1.00 0.00 N ATOM 676 CA GLY A 43 0.109 11.463 -7.410 1.00 0.00 C ATOM 677 C GLY A 43 -1.104 11.743 -6.506 1.00 0.00 C ATOM 678 O GLY A 43 -1.490 12.890 -6.313 1.00 0.00 O ATOM 0 H GLY A 43 0.910 9.529 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.022 11.694 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.075 12.134 -8.268 1.00 0.00 H new ATOM 682 N LYS A 44 -1.692 10.642 -5.985 1.00 0.00 N ATOM 683 CA LYS A 44 -2.854 10.704 -5.119 1.00 0.00 C ATOM 684 C LYS A 44 -2.634 9.728 -3.956 1.00 0.00 C ATOM 685 O LYS A 44 -2.173 8.612 -4.150 1.00 0.00 O ATOM 686 CB LYS A 44 -4.084 10.266 -5.938 1.00 0.00 C ATOM 687 CG LYS A 44 -4.352 11.170 -7.149 1.00 0.00 C ATOM 688 CD LYS A 44 -5.566 10.717 -7.969 1.00 0.00 C ATOM 689 CE LYS A 44 -5.781 11.601 -9.202 1.00 0.00 C ATOM 690 NZ LYS A 44 -6.892 11.145 -10.030 1.00 0.00 N ATOM 0 H LYS A 44 -1.362 9.694 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.007 11.711 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.939 9.242 -6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.962 10.264 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.512 12.192 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.470 11.183 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.427 9.683 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.458 10.743 -7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.968 12.626 -8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.869 11.614 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.995 11.776 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.705 10.177 -10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.769 11.157 -9.471 1.00 0.00 H new ATOM 704 N ASP A 45 -2.952 10.216 -2.742 1.00 0.00 N ATOM 705 CA ASP A 45 -2.856 9.389 -1.549 1.00 0.00 C ATOM 706 C ASP A 45 -4.284 8.884 -1.251 1.00 0.00 C ATOM 707 O ASP A 45 -5.273 9.542 -1.548 1.00 0.00 O ATOM 708 CB ASP A 45 -2.216 10.157 -0.385 1.00 0.00 C ATOM 709 CG ASP A 45 -2.959 11.461 -0.034 1.00 0.00 C ATOM 710 OD1 ASP A 45 -4.101 11.395 0.422 1.00 0.00 O ATOM 711 OD2 ASP A 45 -2.383 12.531 -0.209 1.00 0.00 O ATOM 0 H ASP A 45 -3.273 11.169 -2.574 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.196 8.535 -1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.189 9.514 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.183 10.393 -0.639 1.00 0.00 H new ATOM 716 N GLY A 46 -4.328 7.674 -0.680 1.00 0.00 N ATOM 717 CA GLY A 46 -5.626 7.072 -0.389 1.00 0.00 C ATOM 718 C GLY A 46 -5.465 5.751 0.336 1.00 0.00 C ATOM 719 O GLY A 46 -4.385 5.174 0.388 1.00 0.00 O ATOM 0 H GLY A 46 -3.515 7.115 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.219 7.755 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.174 6.916 -1.318 1.00 0.00 H new ATOM 723 N PHE A 47 -6.618 5.303 0.865 1.00 0.00 N ATOM 724 CA PHE A 47 -6.638 4.051 1.607 1.00 0.00 C ATOM 725 C PHE A 47 -6.662 2.853 0.639 1.00 0.00 C ATOM 726 O PHE A 47 -7.299 2.872 -0.408 1.00 0.00 O ATOM 727 CB PHE A 47 -7.794 4.061 2.605 1.00 0.00 C ATOM 728 CG PHE A 47 -7.481 5.022 3.724 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.726 6.380 3.572 1.00 0.00 C ATOM 730 CD2 PHE A 47 -6.921 4.572 4.916 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.428 7.274 4.586 1.00 0.00 C ATOM 732 CE2 PHE A 47 -6.623 5.462 5.938 1.00 0.00 C ATOM 733 CZ PHE A 47 -6.878 6.817 5.776 1.00 0.00 C ATOM 0 H PHE A 47 -7.517 5.779 0.791 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.724 3.944 2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.717 4.355 2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.953 3.059 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.155 6.744 2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.716 3.520 5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.623 8.328 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.192 5.100 6.860 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.650 7.512 6.571 1.00 0.00 H new ATOM 743 N ILE A 48 -5.887 1.828 1.054 1.00 0.00 N ATOM 744 CA ILE A 48 -5.740 0.594 0.286 1.00 0.00 C ATOM 745 C ILE A 48 -5.751 -0.596 1.271 1.00 0.00 C ATOM 746 O ILE A 48 -5.231 -0.478 2.371 1.00 0.00 O ATOM 747 CB ILE A 48 -4.438 0.636 -0.543 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.169 0.766 0.326 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.487 1.749 -1.603 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.882 0.537 -0.461 1.00 0.00 C ATOM 0 H ILE A 48 -5.354 1.841 1.924 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.565 0.480 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.373 -0.327 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.142 1.759 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.221 0.048 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.556 1.753 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.323 1.571 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.617 2.714 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.025 0.642 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.890 -0.466 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.810 1.272 -1.263 1.00 0.00 H new ATOM 762 N PRO A 49 -6.345 -1.751 0.855 1.00 0.00 N ATOM 763 CA PRO A 49 -6.421 -2.933 1.712 1.00 0.00 C ATOM 764 C PRO A 49 -5.056 -3.597 2.027 1.00 0.00 C ATOM 765 O PRO A 49 -4.238 -3.711 1.119 1.00 0.00 O ATOM 766 CB PRO A 49 -7.310 -3.926 0.947 1.00 0.00 C ATOM 767 CG PRO A 49 -7.693 -3.286 -0.382 1.00 0.00 C ATOM 768 CD PRO A 49 -6.988 -1.936 -0.449 1.00 0.00 C ATOM 0 HA PRO A 49 -6.812 -2.639 2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.779 -4.863 0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.202 -4.164 1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.391 -3.920 -1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.773 -3.160 -0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.252 -1.920 -1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.698 -1.134 -0.651 1.00 0.00 H new ATOM 776 N LYS A 50 -4.837 -4.080 3.297 1.00 0.00 N ATOM 777 CA LYS A 50 -3.516 -4.715 3.498 1.00 0.00 C ATOM 778 C LYS A 50 -3.397 -6.063 2.766 1.00 0.00 C ATOM 779 O LYS A 50 -2.339 -6.418 2.270 1.00 0.00 O ATOM 780 CB LYS A 50 -3.307 -5.070 4.976 1.00 0.00 C ATOM 781 CG LYS A 50 -2.900 -3.865 5.802 1.00 0.00 C ATOM 782 CD LYS A 50 -2.294 -4.228 7.168 1.00 0.00 C ATOM 783 CE LYS A 50 -1.146 -5.243 7.083 1.00 0.00 C ATOM 784 NZ LYS A 50 -0.197 -5.122 8.183 1.00 0.00 N ATOM 0 H LYS A 50 -5.474 -4.047 4.093 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.792 -3.992 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.227 -5.492 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.540 -5.840 5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.176 -3.277 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.773 -3.231 5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.929 -3.319 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.078 -4.633 7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.560 -6.251 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.618 -5.109 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.319 -6.018 8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.477 -4.357 7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.710 -4.905 9.061 1.00 0.00 H new ATOM 798 N ASN A 51 -4.529 -6.778 2.734 1.00 0.00 N ATOM 799 CA ASN A 51 -4.621 -8.089 2.072 1.00 0.00 C ATOM 800 C ASN A 51 -4.274 -8.054 0.558 1.00 0.00 C ATOM 801 O ASN A 51 -3.876 -9.066 -0.007 1.00 0.00 O ATOM 802 CB ASN A 51 -5.970 -8.751 2.356 1.00 0.00 C ATOM 803 CG ASN A 51 -7.080 -7.846 1.872 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.090 -6.658 2.148 1.00 0.00 O ATOM 805 ND2 ASN A 51 -8.018 -8.442 1.145 1.00 0.00 N ATOM 0 H ASN A 51 -5.401 -6.469 3.162 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.845 -8.714 2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.027 -9.717 1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.078 -8.940 3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.803 -7.901 0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.953 -9.441 0.948 1.00 0.00 H new ATOM 812 N TYR A 52 -4.365 -6.843 -0.044 1.00 0.00 N ATOM 813 CA TYR A 52 -4.051 -6.723 -1.470 1.00 0.00 C ATOM 814 C TYR A 52 -2.573 -6.343 -1.757 1.00 0.00 C ATOM 815 O TYR A 52 -2.202 -6.234 -2.919 1.00 0.00 O ATOM 816 CB TYR A 52 -4.965 -5.649 -2.089 1.00 0.00 C ATOM 817 CG TYR A 52 -6.256 -6.218 -2.616 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.214 -6.764 -1.773 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.492 -6.230 -3.982 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.365 -7.344 -2.286 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.634 -6.814 -4.515 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.587 -7.394 -3.671 1.00 0.00 C ATOM 823 OH TYR A 52 -9.701 -8.058 -4.187 1.00 0.00 O ATOM 0 H TYR A 52 -4.641 -5.977 0.419 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.216 -7.706 -1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.187 -4.890 -1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.435 -5.150 -2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.061 -6.737 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.772 -5.775 -4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.098 -7.762 -1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.787 -6.820 -5.584 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.024 -8.712 -3.533 1.00 0.00 H new ATOM 833 N ILE A 53 -1.760 -6.160 -0.688 1.00 0.00 N ATOM 834 CA ILE A 53 -0.338 -5.795 -0.837 1.00 0.00 C ATOM 835 C ILE A 53 0.573 -6.687 0.052 1.00 0.00 C ATOM 836 O ILE A 53 0.127 -7.488 0.865 1.00 0.00 O ATOM 837 CB ILE A 53 -0.135 -4.257 -0.648 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.056 -3.848 0.250 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.408 -3.529 -0.195 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.165 -2.371 0.492 1.00 0.00 C ATOM 0 H ILE A 53 -2.067 -6.260 0.280 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.019 -6.005 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 53 0.118 -3.929 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.964 -4.356 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.980 -4.199 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.198 -2.465 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.191 -3.668 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.740 -3.936 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.025 -2.169 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.290 -1.855 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.259 -2.015 0.982 1.00 0.00 H new ATOM 852 N GLU A 54 1.883 -6.455 -0.200 1.00 0.00 N ATOM 853 CA GLU A 54 3.051 -7.032 0.445 1.00 0.00 C ATOM 854 C GLU A 54 3.974 -5.860 0.848 1.00 0.00 C ATOM 855 O GLU A 54 4.331 -5.019 0.030 1.00 0.00 O ATOM 856 CB GLU A 54 3.804 -7.906 -0.563 1.00 0.00 C ATOM 857 CG GLU A 54 5.067 -8.567 0.020 1.00 0.00 C ATOM 858 CD GLU A 54 5.835 -9.329 -1.069 1.00 0.00 C ATOM 859 OE1 GLU A 54 5.264 -10.245 -1.657 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.992 -8.994 -1.322 1.00 0.00 O ATOM 0 H GLU A 54 2.157 -5.797 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 54 2.758 -7.632 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.134 -8.683 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.086 -7.296 -1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.711 -7.806 0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.788 -9.251 0.821 1.00 0.00 H new ATOM 867 N MET A 55 4.340 -5.866 2.144 1.00 0.00 N ATOM 868 CA MET A 55 5.224 -4.839 2.693 1.00 0.00 C ATOM 869 C MET A 55 6.696 -5.261 2.508 1.00 0.00 C ATOM 870 O MET A 55 7.014 -6.413 2.242 1.00 0.00 O ATOM 871 CB MET A 55 4.925 -4.685 4.190 1.00 0.00 C ATOM 872 CG MET A 55 3.537 -4.109 4.474 1.00 0.00 C ATOM 873 SD MET A 55 3.230 -4.124 6.249 1.00 0.00 S ATOM 874 CE MET A 55 2.549 -5.790 6.384 1.00 0.00 C ATOM 0 H MET A 55 4.036 -6.567 2.819 1.00 0.00 H new ATOM 0 HA MET A 55 5.057 -3.895 2.175 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.012 -5.658 4.673 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.678 -4.038 4.639 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.469 -3.091 4.091 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.776 -4.695 3.958 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.292 -5.995 7.423 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.654 -5.868 5.766 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.289 -6.514 6.044 1.00 0.00 H new ATOM 884 N LYS A 56 7.555 -4.237 2.709 1.00 0.00 N ATOM 885 CA LYS A 56 9.006 -4.362 2.578 1.00 0.00 C ATOM 886 C LYS A 56 9.678 -3.288 3.471 1.00 0.00 C ATOM 887 O LYS A 56 9.954 -2.183 3.020 1.00 0.00 O ATOM 888 CB LYS A 56 9.405 -4.103 1.109 1.00 0.00 C ATOM 889 CG LYS A 56 8.984 -5.198 0.111 1.00 0.00 C ATOM 890 CD LYS A 56 9.609 -6.573 0.390 1.00 0.00 C ATOM 891 CE LYS A 56 11.137 -6.532 0.486 1.00 0.00 C ATOM 892 NZ LYS A 56 11.718 -7.867 0.570 1.00 0.00 N ATOM 0 H LYS A 56 7.249 -3.299 2.968 1.00 0.00 H new ATOM 0 HA LYS A 56 9.323 -5.360 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.966 -3.157 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.487 -3.985 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.898 -5.294 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.259 -4.883 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.203 -6.967 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.319 -7.264 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.541 -6.016 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.429 -5.954 1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.753 -7.792 0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.354 -8.352 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.462 -8.411 -0.278 1.00 0.00 H new ATOM 906 N PRO A 57 9.931 -3.645 4.766 1.00 0.00 N ATOM 907 CA PRO A 57 10.555 -2.712 5.705 1.00 0.00 C ATOM 908 C PRO A 57 12.053 -2.478 5.413 1.00 0.00 C ATOM 909 O PRO A 57 12.655 -3.077 4.530 1.00 0.00 O ATOM 910 CB PRO A 57 10.320 -3.354 7.081 1.00 0.00 C ATOM 911 CG PRO A 57 10.165 -4.848 6.797 1.00 0.00 C ATOM 912 CD PRO A 57 9.593 -4.933 5.378 1.00 0.00 C ATOM 0 HA PRO A 57 10.123 -1.714 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.157 -3.164 7.753 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.428 -2.948 7.559 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.123 -5.363 6.866 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.497 -5.318 7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.031 -5.763 4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.515 -5.094 5.394 1.00 0.00 H new TER 920 PRO A 57 HETATM 921 C ACE B 0 -7.598 -14.281 -10.100 1.00 0.00 C HETATM 922 O ACE B 0 -8.358 -13.635 -10.812 1.00 0.00 O HETATM 923 CH3 ACE B 0 -6.184 -14.645 -10.549 1.00 0.00 C HETATM 0 H1 ACE B 0 -5.461 -14.220 -9.854 1.00 0.00 H new HETATM 0 H2 ACE B 0 -6.076 -15.729 -10.567 1.00 0.00 H new HETATM 0 H3 ACE B 0 -6.005 -14.246 -11.548 1.00 0.00 H new ATOM 927 N VAL B 1 -7.864 -14.704 -8.847 1.00 0.00 N ATOM 928 CA VAL B 1 -9.067 -14.312 -8.115 1.00 0.00 C ATOM 929 C VAL B 1 -8.610 -13.690 -6.775 1.00 0.00 C ATOM 930 O VAL B 1 -8.509 -14.382 -5.769 1.00 0.00 O ATOM 931 CB VAL B 1 -9.976 -15.539 -7.895 1.00 0.00 C ATOM 932 CG1 VAL B 1 -11.282 -15.158 -7.178 1.00 0.00 C ATOM 933 CG2 VAL B 1 -10.295 -16.233 -9.228 1.00 0.00 C ATOM 0 H VAL B 1 -7.247 -15.325 -8.323 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.651 -13.582 -8.676 1.00 0.00 H new ATOM 0 HB VAL B 1 -9.428 -16.232 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -11.895 -16.049 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -11.050 -14.725 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -11.828 -14.430 -7.779 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -10.937 -17.095 -9.045 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -10.806 -15.533 -9.889 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -9.368 -16.564 -9.697 1.00 0.00 H new ATOM 943 N PRO B 2 -8.330 -12.354 -6.796 1.00 0.00 N ATOM 944 CA PRO B 2 -7.875 -11.639 -5.604 1.00 0.00 C ATOM 945 C PRO B 2 -8.791 -11.758 -4.345 1.00 0.00 C ATOM 946 O PRO B 2 -9.995 -11.956 -4.453 1.00 0.00 O ATOM 947 CB PRO B 2 -7.782 -10.185 -6.077 1.00 0.00 C ATOM 948 CG PRO B 2 -7.563 -10.254 -7.580 1.00 0.00 C ATOM 949 CD PRO B 2 -8.346 -11.501 -7.990 1.00 0.00 C ATOM 0 HA PRO B 2 -6.938 -12.069 -5.249 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.694 -9.637 -5.839 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.960 -9.665 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -7.935 -9.361 -8.083 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.506 -10.342 -7.829 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.365 -11.251 -8.285 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.881 -12.000 -8.840 1.00 0.00 H new ATOM 957 N PRO B 3 -8.144 -11.630 -3.146 1.00 0.00 N ATOM 958 CA PRO B 3 -8.788 -11.691 -1.830 1.00 0.00 C ATOM 959 C PRO B 3 -10.065 -10.847 -1.584 1.00 0.00 C ATOM 960 O PRO B 3 -10.323 -9.861 -2.259 1.00 0.00 O ATOM 961 CB PRO B 3 -7.693 -11.109 -0.910 1.00 0.00 C ATOM 962 CG PRO B 3 -6.376 -11.519 -1.545 1.00 0.00 C ATOM 963 CD PRO B 3 -6.685 -11.552 -3.040 1.00 0.00 C ATOM 0 HA PRO B 3 -9.133 -12.714 -1.678 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.775 -10.024 -0.839 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.780 -11.502 0.103 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.583 -10.807 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.044 -12.492 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.304 -10.660 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.212 -12.410 -3.518 1.00 0.00 H new ATOM 971 N PRO B 4 -10.852 -11.273 -0.551 1.00 0.00 N ATOM 972 CA PRO B 4 -12.044 -10.541 -0.108 1.00 0.00 C ATOM 973 C PRO B 4 -11.525 -9.385 0.744 1.00 0.00 C ATOM 974 O PRO B 4 -10.784 -9.552 1.704 1.00 0.00 O ATOM 975 CB PRO B 4 -12.810 -11.546 0.757 1.00 0.00 C ATOM 976 CG PRO B 4 -11.731 -12.501 1.283 1.00 0.00 C ATOM 977 CD PRO B 4 -10.634 -12.501 0.213 1.00 0.00 C ATOM 0 HA PRO B 4 -12.678 -10.154 -0.906 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.333 -11.049 1.574 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.562 -12.079 0.175 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.343 -12.164 2.244 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.133 -13.503 1.435 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.642 -12.514 0.665 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.705 -13.381 -0.426 1.00 0.00 H new ATOM 985 N VAL B 5 -11.947 -8.208 0.279 1.00 0.00 N ATOM 986 CA VAL B 5 -11.513 -6.969 0.881 1.00 0.00 C ATOM 987 C VAL B 5 -12.090 -6.762 2.301 1.00 0.00 C ATOM 988 O VAL B 5 -13.262 -7.033 2.537 1.00 0.00 O ATOM 989 CB VAL B 5 -11.817 -5.820 -0.053 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.823 -4.673 0.162 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.729 -6.161 -1.526 1.00 0.00 C ATOM 0 H VAL B 5 -12.585 -8.098 -0.509 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.433 -7.014 1.025 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.845 -5.552 0.190 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.058 -3.855 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.892 -4.319 1.191 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.811 -5.028 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.963 -5.277 -2.119 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.720 -6.499 -1.761 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.441 -6.953 -1.759 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.230 -6.276 3.244 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.659 -6.017 4.616 1.00 0.00 C ATOM 1003 C PRO B 6 -12.726 -4.909 4.715 1.00 0.00 C ATOM 1004 O PRO B 6 -12.914 -4.123 3.797 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.388 -5.470 5.304 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.208 -5.868 4.426 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.810 -5.999 3.034 1.00 0.00 C ATOM 0 HA PRO B 6 -12.087 -6.921 5.050 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.442 -4.387 5.412 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.282 -5.885 6.306 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.421 -5.115 4.451 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.762 -6.806 4.758 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.670 -5.084 2.459 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.332 -6.803 2.474 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.425 -4.872 5.872 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.388 -3.810 6.126 1.00 0.00 C ATOM 1017 C PRO B 7 -13.603 -2.566 6.605 1.00 0.00 C ATOM 1018 O PRO B 7 -12.956 -2.600 7.646 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.241 -4.365 7.274 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.337 -5.379 7.987 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.406 -5.912 6.899 1.00 0.00 C ATOM 0 HA PRO B 7 -14.988 -3.529 5.261 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.555 -3.571 7.952 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.147 -4.840 6.898 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.774 -4.908 8.792 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.922 -6.183 8.435 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.399 -6.076 7.282 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.757 -6.866 6.506 1.00 0.00 H new ATOM 1029 N ARG B 8 -13.667 -1.485 5.789 1.00 0.00 N ATOM 1030 CA ARG B 8 -12.972 -0.253 6.174 1.00 0.00 C ATOM 1031 C ARG B 8 -13.682 0.362 7.387 1.00 0.00 C ATOM 1032 O ARG B 8 -14.851 0.106 7.645 1.00 0.00 O ATOM 1033 CB ARG B 8 -12.782 0.741 5.008 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.959 0.911 4.037 1.00 0.00 C ATOM 1035 CD ARG B 8 -15.253 1.370 4.726 1.00 0.00 C ATOM 1036 NE ARG B 8 -16.273 1.705 3.740 1.00 0.00 N ATOM 1037 CZ ARG B 8 -17.529 2.050 4.097 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.897 2.079 5.374 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -18.410 2.369 3.160 1.00 0.00 N ATOM 0 H ARG B 8 -14.170 -1.447 4.903 1.00 0.00 H new ATOM 0 HA ARG B 8 -11.952 -0.509 6.459 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.548 1.718 5.431 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.911 0.426 4.433 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.687 1.636 3.270 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.142 -0.036 3.529 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.620 0.581 5.382 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -15.048 2.237 5.353 1.00 0.00 H new ATOM 0 HE ARG B 8 -16.031 1.678 2.750 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -17.226 1.838 6.104 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.850 2.342 5.624 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -18.138 2.353 2.177 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -19.361 2.631 3.422 1.00 0.00 H new ATOM 1053 N ARG B 9 -12.883 1.173 8.115 1.00 0.00 N ATOM 1054 CA ARG B 9 -13.339 1.822 9.336 1.00 0.00 C ATOM 1055 C ARG B 9 -13.602 0.730 10.406 1.00 0.00 C ATOM 1056 O ARG B 9 -14.586 0.734 11.135 1.00 0.00 O ATOM 1057 CB ARG B 9 -14.517 2.769 9.034 1.00 0.00 C ATOM 1058 CG ARG B 9 -14.183 3.795 7.934 1.00 0.00 C ATOM 1059 CD ARG B 9 -15.352 4.722 7.576 1.00 0.00 C ATOM 1060 NE ARG B 9 -14.986 5.523 6.410 1.00 0.00 N ATOM 1061 CZ ARG B 9 -15.683 6.601 5.988 1.00 0.00 C ATOM 1062 NH1 ARG B 9 -16.764 7.009 6.642 1.00 0.00 N ATOM 1063 NH2 ARG B 9 -15.292 7.257 4.900 1.00 0.00 N ATOM 0 H ARG B 9 -11.917 1.386 7.866 1.00 0.00 H new ATOM 0 HA ARG B 9 -12.578 2.478 9.759 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -15.382 2.181 8.727 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -14.797 3.297 9.946 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -13.338 4.401 8.260 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -13.866 3.262 7.037 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -16.246 4.135 7.364 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -15.589 5.371 8.419 1.00 0.00 H new ATOM 0 HE ARG B 9 -14.155 5.252 5.884 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -17.077 6.507 7.473 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -17.282 7.824 6.313 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -14.468 6.946 4.386 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -15.816 8.071 4.579 1.00 0.00 H new ATOM 1077 N ARG B 10 -12.615 -0.201 10.390 1.00 0.00 N ATOM 1078 CA ARG B 10 -12.456 -1.387 11.213 1.00 0.00 C ATOM 1079 C ARG B 10 -13.421 -2.503 10.790 1.00 0.00 C ATOM 1080 O ARG B 10 -14.566 -2.291 10.417 1.00 0.00 O ATOM 1081 CB ARG B 10 -12.497 -1.084 12.716 1.00 0.00 C ATOM 1082 CG ARG B 10 -11.235 -0.366 13.222 1.00 0.00 C ATOM 1083 CD ARG B 10 -9.955 -1.189 13.012 1.00 0.00 C ATOM 1084 NE ARG B 10 -8.909 -0.702 13.903 1.00 0.00 N ATOM 1085 CZ ARG B 10 -7.908 -1.469 14.385 1.00 0.00 C ATOM 1086 NH1 ARG B 10 -7.816 -2.758 14.082 1.00 0.00 N ATOM 1087 NH2 ARG B 10 -6.995 -0.919 15.171 1.00 0.00 N ATOM 0 H ARG B 10 -11.843 -0.114 9.728 1.00 0.00 H new ATOM 0 HA ARG B 10 -11.450 -1.765 11.032 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -13.370 -0.468 12.932 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -12.622 -2.017 13.265 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -11.135 0.589 12.707 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -11.349 -0.146 14.283 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -10.152 -2.243 13.208 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -9.628 -1.113 11.975 1.00 0.00 H new ATOM 0 HE ARG B 10 -8.935 0.279 14.180 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -8.511 -3.190 13.473 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -7.050 -3.317 14.458 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -7.054 0.072 15.405 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -6.233 -1.486 15.542 1.00 0.00 H new HETATM 1101 N NH2 B 11 -12.849 -3.717 10.873 1.00 0.00 N TER 1104 NH2 B 11